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Sample records for catalytic mechanism operating

  1. Electro Catalytic Oxidation (ECO) Operation

    Energy Technology Data Exchange (ETDEWEB)

    Morgan Jones

    2011-03-31

    The power industry in the United States is faced with meeting many new regulations to reduce a number of air pollutants including sulfur dioxide, nitrogen oxides, fine particulate matter, and mercury. With over 1,000 power plants in the US, this is a daunting task. In some cases, traditional pollution control technologies such as wet scrubbers and SCRs are not feasible. Powerspan's Electro-Catalytic Oxidation, or ECO{reg_sign} process combines four pollution control devices into a single integrated system that can be installed after a power plant's particulate control device. Besides achieving major reductions in emissions of sulfur dioxide (SO{sub 2}), nitrogen oxides (NOx), fine particulate matter (PM2.5) and mercury (Hg), ECO produces a highly marketable fertilizer, which can help offset the operating costs of the process system. Powerspan has been operating a 50-MW ECO commercial demonstration unit (CDU) at FirstEnergy Corp.'s R.E. Burger Plant near Shadyside, Ohio, since February 2004. In addition to the CDU, a test loop has been constructed beside the CDU to demonstrate higher NOx removal rates and test various scrubber packing types and wet ESP configurations. Furthermore, Powerspan has developed the ECO{reg_sign}{sub 2} technology, a regenerative process that uses a proprietary solvent to capture CO{sub 2} from flue gas. The CO{sub 2} capture takes place after the capture of NOx, SO{sub 2}, mercury, and fine particulate matter. Once the CO{sub 2} is captured, the proprietary solution is regenerated to release CO{sub 2} in a form that is ready for geological storage or beneficial use. Pilot scale testing of ECO{sub 2} began in early 2009 at FirstEnergy's Burger Plant. The ECO{sub 2} pilot unit is designed to process a 1-MW flue gas stream and produce 20 tons of CO{sub 2} per day, achieving a 90% CO{sub 2} capture rate. The ECO{sub 2} pilot program provided the opportunity to confirm process design and cost estimates, and prepare for large

  2. ADAR proteins: structure and catalytic mechanism.

    Science.gov (United States)

    Goodman, Rena A; Macbeth, Mark R; Beal, Peter A

    2012-01-01

    Since the discovery of the adenosine deaminase (ADA) acting on RNA (ADAR) family of proteins in 1988 (Bass and Weintraub, Cell 55:1089-1098, 1988) (Wagner et al. Proc Natl Acad Sci U S A 86:2647-2651, 1989), we have learned much about their structure and catalytic mechanism. However, much about these enzymes is still unknown, particularly regarding the selective recognition and processing of specific adenosines within substrate RNAs. While a crystal structure of the catalytic domain of human ADAR2 has been solved, we still lack structural data for an ADAR catalytic domain bound to RNA, and we lack any structural data for other ADARs. However, by analyzing the structural data that is available along with similarities to other deaminases, mutagenesis and other biochemical experiments, we have been able to advance the understanding of how these fascinating enzymes function. PMID:21769729

  3. Catalytic Mechanism of Human Alpha-galactosidase

    Energy Technology Data Exchange (ETDEWEB)

    Guce, A.; Clark, N; Salgado, E; Ivanen, D; Kulinskaya, A; Brumer, H; Garman, S

    2010-01-01

    The enzyme {alpha}-galactosidase ({alpha}-GAL, also known as {alpha}-GAL A; E.C. 3.2.1.22) is responsible for the breakdown of {alpha}-galactosides in the lysosome. Defects in human {alpha}-GAL lead to the development of Fabry disease, a lysosomal storage disorder characterized by the buildup of {alpha}-galactosylated substrates in the tissues. {alpha}-GAL is an active target of clinical research: there are currently two treatment options for Fabry disease, recombinant enzyme replacement therapy (approved in the United States in 2003) and pharmacological chaperone therapy (currently in clinical trials). Previously, we have reported the structure of human {alpha}-GAL, which revealed the overall structure of the enzyme and established the locations of hundreds of mutations that lead to the development of Fabry disease. Here, we describe the catalytic mechanism of the enzyme derived from x-ray crystal structures of each of the four stages of the double displacement reaction mechanism. Use of a difluoro-{alpha}-galactopyranoside allowed trapping of a covalent intermediate. The ensemble of structures reveals distortion of the ligand into a {sup 1}S{sub 3} skew (or twist) boat conformation in the middle of the reaction cycle. The high resolution structures of each step in the catalytic cycle will allow for improved drug design efforts on {alpha}-GAL and other glycoside hydrolase family 27 enzymes by developing ligands that specifically target different states of the catalytic cycle. Additionally, the structures revealed a second ligand-binding site suitable for targeting by novel pharmacological chaperones.

  4. Short hydrogen bonds in the catalytic mechanism of serine proteases

    Directory of Open Access Journals (Sweden)

    VLADIMIR LESKOVAC

    2008-04-01

    Full Text Available The survey of crystallographic data from the Protein Data Bank for 37 structures of trypsin and other serine proteases at a resolution of 0.78–1.28 Å revealed the presence of hydrogen bonds in the active site of the enzymes, which are formed between the catalytic histidine and aspartate residues and are on average 2.7 Å long. This is the typical bond length for normal hydrogen bonds. The geometric properties of the hydrogen bonds in the active site indicate that the H atom is not centered between the heteroatoms of the catalytic histidine and aspartate residues in the active site. Taken together, these findings exclude the possibility that short “low-barrier” hydrogen bonds are formed in the ground state structure of the active sites examined in this work. Some time ago, it was suggested by Cleland that the “low-barrier hydrogen bond” hypothesis is operative in the catalytic mechanism of serine proteases, and requires the presence of short hydrogen bonds around 2.4 Å long in the active site, with the H atom centered between the catalytic heteroatoms. The conclusions drawn from this work do not exclude the validity of the “low-barrier hydrogen bond” hypothesis at all, but they merely do not support it in this particular case, with this particular class of enzymes.

  5. Basic Aspects Related to Operation of Engine Catalytic Converters

    OpenAIRE

    Stefan POSTRZEDNIK; Zmudka, Zbigniew; Ciesiolkiewicz, Adam

    2004-01-01

    Experimental research on the diesel engine 6C107 equipped with selected oxidation catalytic converters was carried out. Specific emissions of toxic substances were investigated in the whole operation range of the engine before and after catalysts. Thus, changes of the emission indices within the catalysts and conversion efficiencies of the harmful substances were evaluated. Besides, temperature threshold of the catalytic action was determined too. Apart from chemical efficiency of the convert...

  6. Basic Aspects Related to Operation of Engine Catalytic Converters

    Directory of Open Access Journals (Sweden)

    Adam Ciesiolkiewicz

    2004-03-01

    Full Text Available Experimental research on the diesel engine 6C107 equipped with selected oxidation catalytic converters was carried out. Specific emissions of toxic substances were investigated in the whole operation range of the engine before and after catalysts. Thus, changes of the emission indices within the catalysts and conversion efficiencies of the harmful substances were evaluated. Besides, temperature threshold of the catalytic action was determined too. Apart from chemical efficiency of the converters, their resistance to exhaust gas flow also is an essential problem. Therefore selected quantities of exhaust gas flow through the catalysts were determined and analysed together with their termochemical efficiency.

  7. OPERATING SPECIFICATIONS OF CATALYTIC CLEANING OF GAS FROM BIOMASS GASIFICATION

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    Martin Lisý

    2015-12-01

    Full Text Available The paper focuses on the theoretical description of the cleaning of syngas from biomass and waste gasification using catalytic methods, and on the verification of the theory through experiments. The main obstruction to using syngas from fluid gasification of organic matter is the presence of various high-boiling point hydrocarbons (i.e., tar in the gas. The elimination of tar from the gas is a key factor in subsequent use of the gas in other technologies for cogeneration of electrical energy and heat. The application of a natural or artificial catalyst for catalytic destruction of tar is one of the methods of secondary elimination of tar from syngas. In our experiments, we used a natural catalyst (dolomite or calcium magnesium carbonate from Horní Lánov with great mechanical and catalytic properties, suitable for our purposes. The advantages of natural catalysts in contrast to artificial catalysts include their availability, low purchase prices and higher resilience to the so-called catalyst poison. Natural calcium catalysts may also capture undesired compounds of sulphure and chlorine. Our paper presents a theoretical description and analysis of catalytic destruction of tar into combustible gas components, and of the impact of dolomite calcination on its efficiency. The efficiency of the technology is verified in laboratories. The facility used for verification was a 150 kW pilot gasification unit with a laboratory catalytic filter. The efficiency of tar elimination reached 99.5%, the tar concentration complied with limits for use of the gas in combustion engines, and the tar content reached approximately 35 mg/mn3. The results of the measurements conducted in laboratories helped us design a pilot technology for catalytic gas cleaning.

  8. Catalytic mechanisms by biological systems : Special issue introduction

    NARCIS (Netherlands)

    Fraaije, Marco W; Scrutton, Nigel S

    2013-01-01

    Research on enzyme mechanisms is advancing knowledge of the chemistry and biochemistry of catalytic mechanisms by biological systems. The structural-dynamical properties of enzymes are of key importance. Advanced methodological approaches and new insights into enzyme functioning, and new emerging ap

  9. The Quasicatalytic Mechanism: A Variation of the Catalytic (EC′) Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Feldberg, S.W.; Campbell, J.F.

    2009-11-01

    The classic electrochemical catalytic mechanism, often referred to as the EC{prime} mechanism, is traditionally represented by the two reactions A + e {r_reversible} B (E{sub A/B}{sup 0}, k{sub A/B}{sup 0}, {alpha}{sub A/B}) and B + P {r_reversible} A + Q (K{sub eq}, k{sub f}, k{sub b}). Implicit in this mechanism is the additional heterogeneous electron transfer P + e {r_reversible} Q (E{sub P/Q}{sup 0}, k{sub P/Q}{sup 0}, {alpha}{sub P/Q}). To observe EC{prime} behavior, the following conditions must be met (we focus on cyclic voltammetric responses): (1) E{sub P/Q}{sup 0} > E{sub A/B}{sup 0} (ensuring that K{sub eq} > 1), (2) k{sub P/Q}{sup 0}c{sub P} exp[-{alpha}{sub P/Q}(F/RT)(E-E{sub P/Q}{sup 0})]/(0.446c{sub A}(FD{sub A}|v|/RT){sup 1/2}) << 1 over the potential range of interest (ensuring that the reaction P + e {r_reversible} Q does not occur to any significant extent relative to the peak current for reaction A + e {r_reversible} B alone), (3) k{sub f}c{sub P}RT/F|v| > 1 (ensuring that the catalytic effect is significant). We offer arguments based on Marcus theory that when condition 2 is met, fulfilling condition 3 will be difficult. This could explain why EC{prime} behavior is rare. In the present work we show that EC{prime}-like cyclic voltammetric responses can be obtained even when P + e {r_reversible} Q is facile if D{sub P,Q} (the diffusion coefficient for the substrate-couple species P and Q) is much smaller than D{sub A,B} (the diffusion coefficient for the mediator-couple species A and B). When D{sub P,Q}/D{sub A,B} is sufficiently small, the system behavior becomes identical to that seen for the classical EC{prime} system. We suggest that this 'quasicatalytic' behavior should be considered when EC{prime}-like behavior is observed and when the electrochemical system involves a substrate couple whose diffusion coefficients are much smaller than those of the mediator couple. As has been known for some time, when the diffusion coefficients

  10. Mechanism of Ribonuclease III Catalytic Regulation by Serine Phosphorylation

    Science.gov (United States)

    Gone, Swapna; Alfonso-Prieto, Mercedes; Paudyal, Samridhdi; Nicholson, Allen W.

    2016-05-01

    Ribonuclease III (RNase III) is a conserved, gene-regulatory bacterial endonuclease that cleaves double-helical structures in diverse coding and noncoding RNAs. RNase III is subject to multiple levels of control, reflective of its global regulatory functions. Escherichia coli (Ec) RNase III catalytic activity is known to increase during bacteriophage T7 infection, reflecting the expression of the phage-encoded protein kinase, T7PK. However, the mechanism of catalytic enhancement is unknown. This study shows that Ec-RNase III is phosphorylated on serine in vitro by purified T7PK, and identifies the targets as Ser33 and Ser34 in the N-terminal catalytic domain. Kinetic experiments reveal a 5-fold increase in kcat and a 1.4-fold decrease in Km following phosphorylation, providing a 7.4–fold increase in catalytic efficiency. Phosphorylation does not change the rate of substrate cleavage under single-turnover conditions, indicating that phosphorylation enhances product release, which also is the rate-limiting step in the steady-state. Molecular dynamics simulations provide a mechanism for facilitated product release, in which the Ser33 phosphomonoester forms a salt bridge with the Arg95 guanidinium group, thereby weakening RNase III engagement of product. The simulations also show why glutamic acid substitution at either serine does not confer enhancement, thus underscoring the specific requirement for a phosphomonoester.

  11. On the catalytic mechanisms of lytic polysaccharide monooxygenases.

    Science.gov (United States)

    Walton, Paul H; Davies, Gideon J

    2016-04-01

    Lytic polysaccharide monooxygenases (LPMOs) are recently discovered copper-containing oxygenases. LPMOs oxidise recalcitrant polysaccharides such as chitin and cellulose, thereby making these substrates more tractable to canonical chitinase or cellulase action. As such, LPMOs are attracting much attention not only for their capacity to greatly increase the efficiency of production of cellulosic-based biofuels, but also for the new questions they pose about the mechanisms of biological oxidation of recalcitrant substrates. This review draws together the current thinking on the catalytic mechanisms of LPMOs and other copper catalysed oxygenations and provides a blueprint for further investigation into the mechanisms of action of these intriguing enzymes. PMID:27094791

  12. Catalytic mechanisms of enzymes viewed by protein crystallography

    Czech Academy of Sciences Publication Activity Database

    Hašek, Jindřich

    Hamburg: The European Molecular Biology Laboratory, 2010. s. 87. [Catalytic Mechanisms by Biological Systems: At the Interface between Chemistry and Biology (EMBO Conference Series). 05.05.2010-07.05.2010, Hamburg] R&D Projects: GA ČR GA305/07/1073 Institutional research plan: CEZ:AV0Z40500505 Keywords : HIV protease * beta-galactosidase * laccase Subject RIV: CD - Macromolecular Chemistry

  13. POLYSTYRENE THERMAL AND CATALYTIC DEGRADATION MECHANISMS UNDER HYDROCRACKING CONDITIONS

    OpenAIRE

    Edwin G. Fuentes; María P. González-Marcos; Rubén López-Fonseca; José I. Gutiérrez-Ortiz; Juan R. González-Velasco

    2012-01-01

    In this study, differences between reaction mechanisms involved in thermal and catalytic processes of polystyrene degradation, 30% wt. in decalin, over Pt/Al2O3 bifunctional catalyst, are presented. Oligomers and aromatic derivates, mainly styrene, are mainly produced through the thermal process, whereas, with Pt/Al2O3, both depolymerisation and hydrogenation reactions have occured. Oligomers, in a lower concentration than in the thermal process, and aromatics, mainly ethyl benzene, are obtai...

  14. Catalytic hydrogenation reactors for the fine chemicals industries. Their design and operation.

    OpenAIRE

    Westerterp, K.R.; Molga, E.J.; Gelder, van, M.

    1997-01-01

    The design and operation of reactors for catalytic, hydrogenation in the fine chemical industries are discussed. The requirements for a good multiproduct catalytic hydrogenation unit as well as the choice of the reactor type are considered. Packed bed bubble column reactors operated without hydrogen recycle are recommended as the best choice to obtain a flexible reactor with good selectivities. The results of an experimental study of the catalytic hydrogenation of 2,4-dinitrotoluene in a mini...

  15. Theoretical insights into catalytic mechanism of protein arginine methyltransferase 1.

    Directory of Open Access Journals (Sweden)

    Ruihan Zhang

    Full Text Available Protein arginine methyltransferase 1 (PRMT1, the major arginine asymmetric dimethylation enzyme in mammals, is emerging as a potential drug target for cancer and cardiovascular disease. Understanding the catalytic mechanism of PRMT1 will facilitate inhibitor design. However, detailed mechanisms of the methyl transfer process and substrate deprotonation of PRMT1 remain unclear. In this study, we present a theoretical study on PRMT1 catalyzed arginine dimethylation by employing molecular dynamics (MD simulation and quantum mechanics/molecular mechanics (QM/MM calculation. Ternary complex models, composed of PRMT1, peptide substrate, and S-adenosyl-methionine (AdoMet as cofactor, were constructed and verified by 30-ns MD simulation. The snapshots selected from the MD trajectory were applied for the QM/MM calculation. The typical SN2-favored transition states of the first and second methyl transfers were identified from the potential energy profile. Deprotonation of substrate arginine occurs immediately after methyl transfer, and the carboxylate group of E144 acts as proton acceptor. Furthermore, natural bond orbital analysis and electrostatic potential calculation showed that E144 facilitates the charge redistribution during the reaction and reduces the energy barrier. In this study, we propose the detailed mechanism of PRMT1-catalyzed asymmetric dimethylation, which increases insight on the small-molecule effectors design, and enables further investigations into the physiological function of this family.

  16. Catalytic Synthesis of Oxygenates: Mechanisms, Catalysts and Controlling Characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Klier, Kamil; Herman, Richard G

    2005-11-30

    This research focused on catalytic synthesis of unsymmetrical ethers as a part of a larger program involving oxygenated products in general, including alcohols, ethers, esters, carboxylic acids and their derivatives that link together environmentally compliant fuels, monomers, and high-value chemicals. The catalysts studied here were solid acids possessing strong Brnsted acid functionalities. The design of these catalysts involved anchoring the acid groups onto inorganic oxides, e.g. surface-grafted acid groups on zirconia, and a new class of mesoporous solid acids, i.e. propylsulfonic acid-derivatized SBA-15. The former catalysts consisted of a high surface concentration of sulfate groups on stable zirconia catalysts. The latter catalyst consists of high surface area, large pore propylsulfonic acid-derivatized silicas, specifically SBA-15. In both cases, the catalyst design and synthesis yielded high concentrations of acid sites in close proximity to one another. These materials have been well-characterization in terms of physical and chemical properties, as well as in regard to surface and bulk characteristics. Both types of catalysts were shown to exhibit high catalytic performance with respect to both activity and selectivity for the bifunctional coupling of alcohols to form ethers, which proceeds via an efficient SN2 reaction mechanism on the proximal acid sites. This commonality of the dual-site SN2 reaction mechanism over acid catalysts provides for maximum reaction rates and control of selectivity by reaction conditions, i.e. pressure, temperature, and reactant concentrations. This research provides the scientific groundwork for synthesis of ethers for energy applications. The synthesized environmentally acceptable ethers, in part derived from natural gas via alcohol intermediates, exhibit high cetane properties, e.g. methylisobutylether with cetane No. of 53 and dimethylether with cetane No. of 55-60, or high octane properties, e.g. diisopropylether with

  17. Catalytic mechanism of transition-metal compounds on Mg hydrogen sorption reaction.

    Science.gov (United States)

    Barkhordarian, Gagik; Klassen, Thomas; Bormann, Rüdiger

    2006-06-01

    The catalytic mechanisms of transition-metal compounds during the hydrogen sorption reaction of magnesium-based hydrides were investigated through relevant experiments. Catalytic activity was found to be influenced by four distinct physico-thermodynamic properties of the transition-metal compound: a high number of structural defects, a low stability of the compound, which however has to be high enough to avoid complete reduction of the transition metal under operating conditions, a high valence state of the transition-metal ion within the compound, and a high affinity of the transition-metal ion to hydrogen. On the basis of these results, further optimization of the selection of catalysts for improving sorption properties of magnesium-based hydrides is possible. In addition, utilization of transition-metal compounds as catalysts for other hydrogen storage materials is considered. PMID:16771356

  18. Quantum mechanics with difference operators

    International Nuclear Information System (INIS)

    A formulation of quantum mechanics with additive and multiplicative (q-) difference operators instead of differential operators is studied from first principles. Borel-quantisation on smooth configuration spaces is used as guiding quantisation method. After a short discussion this method is translated step-by-step to a framework based on difference operators. To restrict the resulting plethora of possible quantisations additional assumptions motivated by simplicity and plausibility are required. Multiplicative difference operators and the corresponding q-Borel kinematics are given on the circle and its N-point discretisation; the connection to q-deformations of the Witt algebra is discussed. For a 'natural' choice of the q-kinematics a corresponding q-difference evolution equation is obtained. This study shows general difficulties for a generalisation of a physical theory from a known one to a 'new' framework. (author)

  19. Operator methods in quantum mechanics

    CERN Document Server

    Schechter, Martin

    2003-01-01

    This advanced undergraduate and graduate-level text introduces the power of operator theory as a tool in the study of quantum mechanics, assuming only a working knowledge of advanced calculus and no background in physics. The author presents a few simple postulates describing quantum theory, gradually introducing the mathematical techniques that help answer questions important to the physical theory; in this way, readers see clearly the purpose of the method and understand the accomplishment. The entire book is devoted to the study of a single particle moving along a straight line. By posing q

  20. Periodic Operation of Three-Phase Catalytic Reactors

    Czech Academy of Sciences Publication Activity Database

    Silveston, P.T.; Hanika, Jiří

    2005-01-01

    Roč. 82, č. 6 (2005), s. 1105-1142. ISSN 0008-4034 Institutional research plan: CEZ:AV0Z4072921 Keywords : three-phase reactors * trickle bed * periodic operation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 0.574, year: 2005

  1. First crystal structure and catalytic mechanism of a bacterial glucuronosyltransferase

    International Nuclear Information System (INIS)

    Xanthomonas campestris GumK (β-1,2-glucuronosyltransferase) is a membrane associated protein involved in the biosynthesis of xanthan, an exo polysaccharide crucial for this bacterium's phyto pathogenicity. Xanthan is also used in many important industrial applications. The x-ray crystal structure of apo-GumK was solved at 1.9 A resolution. The enzyme has two well defined Rossmann domains with a catalytic cleft between them. Recently, the crystal structure of GumK complexed with the donor substrate was also solved. We identified a number of catalytically important residues, including Asp157, which serves as the general base in the transfer reaction. The biological and structural data reported here shed light on the molecular basis for donor and acceptor selectivity in glucuronosyltransferases. (author)

  2. Operator formalism of quantum mechanics

    OpenAIRE

    Naudts, Jan

    2000-01-01

    This is the first chapter of a new and unconventional textbook on quantum mechanics and quantum field theory. The chapter introduces standard quantum mechanics by means of a symmetry principle, without reference to classical mechanics. The mathematical foundation of this approach comes from a recent paper of Naudts and Kuna on covariance systems. The standard representation of quantum mechanics is derived. Next, spin and mass of a quantum particle are explained as labels of projective represe...

  3. Crystal structure and catalytic mechanism of pyridoxal kinase from Pseudomonas aeruginosa.

    Science.gov (United States)

    Kim, Meong Il; Hong, Minsun

    2016-09-01

    Pyridoxal kinase is a ubiquitous enzyme essential for pyridoxal 5'-phosphate (PLP) homeostasis since PLP is required for the catalytic activity of a variety of PLP-dependent enzymes involved in amino acid, lipid, and sugar metabolism as well as neurotransmitter biosynthesis. Previously, two catalytic mechanisms were proposed with regard to Pdx kinases, in which either the aspartate or the cysteine residue is involved as a catalytic residue. Because the Pdx kinase of Pseudomonas aeruginosa (PaPdxK) contains both residues, the catalytic mechanism of PaPdxK remains elusive. To elucidate the substrate-recognition and catalytic mechanisms of PaPdxK, the crystal structure of PaPdxK was determined at a 2.0 Å resolution. The PaPdxK structure possesses a channel that can accommodate substrates and a metallic cofactor. Our structure-based biochemical and mutational analyses in combination with modeling studies suggest that PaPdxK catalysis is mediated by an acid-base mechanism through the catalytic acid Asp225 and a helical dipole moment. PMID:27425248

  4. Operational behaviour of catalytic recombiners - experimental results and modelling approaches

    International Nuclear Information System (INIS)

    Autocatalytic passive recombiners (PAR) are implemented in containments as an accident management measure to mitigate the consequences of possible hydrogen combustion in the course of a severe accident. The performance of a PAR has been demonstrated in large scale tests; however these integral tests provided no data for detailed model development. At Forschungszentrum Juelich separate effect tests are performed in order to obtain experimental data suited for the validation of detailed numerical models for the assessment of the operational behaviour of PAR. The paper describes the experimental facilities and results obtained so far. Two modelling strategies are pursued and assessed with their applicability and further development needs. The detailed evaluation of the reaction kinetics and heat and mass transport phenomena on a single catalyst element is performed by a direct implementation of the transport and kinetic approaches in ANSYS CFX 11. To model the interaction of PAR with the containment and address the issues mentioned above, REKO-Direkt, a detailed user model based on Fortran 90 will be implemented in CFX to model the entire PAR. This in-house code is already validated against the database and capable to model all relevant processes. Finally some results of local interaction studies are presented. (authors)

  5. Investigation of the Bacillus cereus phosphonoacetaldehyde hydrolase catalytic mechanism

    International Nuclear Information System (INIS)

    The enzyme phosphonoacetaldehyde hydrolase (phosphonatase) from Bacillus cereus catalyzes the conversion of phosphonoacetaldehyde and phosphate. We have demonstrated that phosphonatase is inactivated when incubated with either acetaldehyde or phosphonoacetaldehyde for short time periods at low temperature in the presence of NaBH4. This result suggests that the Schiff base mechanism is operative since such treatment might be expected to inactivate the enzyme by reducing an iminium cation mechanistic intermediate. The inactivation process was shown to be highly specific for a single lysine residue. Incubation of phosphonatase with [3H]-NaBH4 and phosphonacetaldehyde [14C]-acetaldehyde and NaBH4 or [C2-3H]- phosphonoacetaldehyde and NaBH4 resulted in radiolabeled inactivated enzyme. Tryptic hydrolysis and reverse phase HPLC chromatography of the resulting digests demonstrated that the [C2 - 3H]- phosphonoacetaldehyde/NaBH4 methodology afforded the most specifically tritium labeled, inactivated phosphonatase. The radiolabeled, active site peptide was purified to homogeneity and its amino acid sequence was determined

  6. Solid-phase catalytic reactions of tritium with carbohydrates. Communication 3. Mechanism of isomerization of epimeric pentoses in the course of solid-phase catalytic hydrogenation with tritium

    International Nuclear Information System (INIS)

    The mechanism of isomerization of ribose into arabinose in the solid phase under the action of spillover hydrogen in the course of solid-phase catalytic hydrogenation with tritium was studied. Isomerization of ribose was shown to occur by a complex mechanism similar to acid-catalyzed keto-enol tautomerization of epimeric sugars in solution; the active species in solid-phase catalytic hydrogenation of D-ribose with tritium is spillover hydrogen in the proton form

  7. Study on modeling of operator's learning mechanism

    International Nuclear Information System (INIS)

    One effective method to analyze the causes of human errors is to model the behavior of human and to simulate it. The Central Research Institute of Electric Power Industry (CRIEPI) has developed an operator team behavior simulation system called SYBORG (Simulation System for the Behavior of an Operating Group) to analyze the human errors and to establish the countermeasures for them. As an operator behavior model which composes SYBORG has no learning mechanism and the knowledge of a plant is fixed, it cannot take suitable actions when unknown situations occur nor learn anything from the experience. However, considering actual operators, learning is an essential human factor to enhance their abilities to diagnose plant anomalies. In this paper, Q learning with 1/f fluctuation was proposed as a learning mechanism of an operator and simulation using the mechanism was conducted. The results showed the effectiveness of the learning mechanism. (author)

  8. Substrate-enzyme interactions and catalytic mechanism in phospholipase C

    DEFF Research Database (Denmark)

    Byberg, J R; Jørgensen, Flemming Steen; Hansen, S;

    1992-01-01

    Based on the high-resolution X-ray crystallographic structure of phospholipase C from Bacillus cereus, the orientation of the phosphatidylcholine substrate in the active site of the enzyme is proposed. The proposal is based on extensive calculations using the GRID program and molecular mechanics...

  9. Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations.

    Science.gov (United States)

    Rosta, Edina; Nowotny, Marcin; Yang, Wei; Hummer, Gerhard

    2011-06-15

    We use quantum mechanics/molecular mechanics simulations to study the cleavage of the ribonucleic acid (RNA) backbone catalyzed by ribonuclease H. This protein is a prototypical member of a large family of enzymes that use two-metal catalysis to process nucleic acids. By combining Hamiltonian replica exchange with a finite-temperature string method, we calculate the free energy surface underlying the RNA-cleavage reaction and characterize its mechanism. We find that the reaction proceeds in two steps. In a first step, catalyzed primarily by magnesium ion A and its ligands, a water molecule attacks the scissile phosphate. Consistent with thiol-substitution experiments, a water proton is transferred to the downstream phosphate group. The transient phosphorane formed as a result of this nucleophilic attack decays by breaking the bond between the phosphate and the ribose oxygen. In the resulting intermediate, the dissociated but unprotonated leaving group forms an alkoxide coordinated to magnesium ion B. In a second step, the reaction is completed by protonation of the leaving group, with a neutral Asp132 as a likely proton donor. The overall reaction barrier of ∼15 kcal mol(-1), encountered in the first step, together with the cost of protonating Asp132, is consistent with the slow measured rate of ∼1-100/min. The two-step mechanism is also consistent with the bell-shaped pH dependence of the reaction rate. The nonmonotonic relative motion of the magnesium ions along the reaction pathway agrees with X-ray crystal structures. Proton-transfer reactions and changes in the metal ion coordination emerge as central factors in the RNA-cleavage reaction. PMID:21539371

  10. Catalytic mechanism of a retinoid isomerase essential for vertebrate vision

    Energy Technology Data Exchange (ETDEWEB)

    Kiser, Philip D. [Case Western Reserve Univ., Cleveland, OH (United States); Zhang, Jianye [Case Western Reserve Univ., Cleveland, OH (United States); Badiee, Mohsen [Case Western Reserve Univ., Cleveland, OH (United States); Li, Qingjiang [Case Western Reserve Univ., Cleveland, OH (United States); Shi, Wuxian [Brookhaven National Lab. (BNL), Upton, NY (United States); Case Western Reserve Univ., Cleveland, OH (United States); Sui, Xuewu [Case Western Reserve Univ., Cleveland, OH (United States); Golczak, Marcin [Case Western Reserve Univ., Cleveland, OH (United States); Tochtrop, Gregory P. [Case Western Reserve Univ., Cleveland, OH (United States); Palczewski, Krzysztof [Case Western Reserve Univ., Cleveland, OH (United States)

    2015-04-20

    Visual function in vertebrates is dependent on the membrane-bound retinoid isomerase RPE65, an essential component of the retinoid cycle pathway that regenerates 11-cis-retinal for rod and cone opsins. The mechanism by which RPE65 catalyzes stereoselective retinoid isomerization has remained elusive because of uncertainty about how retinoids bind to its active site. Here we present crystal structures of RPE65 in complex with retinoid-mimetic compounds, one of which is in clinical trials for the treatment of age-related macular degeneration. The structures reveal the active site retinoid-binding cavity located near the membrane-interacting surface of the enzyme as well as an Fe-bound palmitate ligand positioned in an adjacent pocket. With the geometry of the RPE65–substrate complex clarified, we delineate a mechanism of catalysis that reconciles the extensive biochemical and structural research on this enzyme. These data provide molecular foundations for understanding a key process in vision and pharmacological inhibition of RPE65 with small molecules.

  11. Catalytic mechanism investigation of lysine-specific demethylase 1 (LSD1: a computational study.

    Directory of Open Access Journals (Sweden)

    Xiangqian Kong

    Full Text Available Lysine-specific demethylase 1 (LSD1, the first identified histone demethylase, is a flavin-dependent amine oxidase which specifically demethylates mono- or dimethylated H3K4 and H3K9 via a redox process. It participates in a broad spectrum of biological processes and is of high importance in cell proliferation, adipogenesis, spermatogenesis, chromosome segregation and embryonic development. To date, as a potential drug target for discovering anti-tumor drugs, the medical significance of LSD1 has been greatly appreciated. However, the catalytic mechanism for the rate-limiting reductive half-reaction in demethylation remains controversial. By employing a combined computational approach including molecular modeling, molecular dynamics (MD simulations and quantum mechanics/molecular mechanics (QM/MM calculations, the catalytic mechanism of dimethylated H3K4 demethylation by LSD1 was characterized in details. The three-dimensional (3D model of the complex was composed of LSD1, CoREST, and histone substrate. A 30-ns MD simulation of the model highlights the pivotal role of the conserved Tyr761 and lysine-water-flavin motif in properly orienting flavin adenine dinucleotide (FAD with respect to substrate. The synergy of the two factors effectively stabilizes the catalytic environment and facilitated the demethylation reaction. On the basis of the reasonable consistence between simulation results and available mutagenesis data, QM/MM strategy was further employed to probe the catalytic mechanism of the reductive half-reaction in demethylation. The characteristics of the demethylation pathway determined by the potential energy surface and charge distribution analysis indicates that this reaction belongs to the direct hydride transfer mechanism. Our study provides insights into the LSD1 mechanism of reductive half-reaction in demethylation and has important implications for the discovery of regulators against LSD1 enzymes.

  12. Catalytic mechanism of hydrogenase from Azotobacter vinelandii. Final technical report, August 1, 1994--July 31, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Arp, D.J.

    1997-10-01

    This project is focused on investigations of the catalytic mechanism of the hydrogenase found in the aerobic, N{sub 2}-fixing microorganism Azotobacter vinelandii. This report summarizes the progress during the first two years of the current project and include the anticipated course of the research for the remaining year of the current project. Because the current proposal represents a change in direction, the authors also include a brief progress report of prior DOE-sponsored research dealing with hydrogenases.

  13. Synergetic mechanism of methanol–steam reforming reaction in a catalytic reactor with electric discharges

    International Nuclear Information System (INIS)

    Highlights: • Methanol–steam reforming was performed on Cu catalysts under an electric discharge. • Discharge had a synergetic effect on the catalytic reaction for methanol conversion. • Discharge lowered the temperature for catalyst activation or light off. • Discharge controlled the yield and selectivity of species in a reforming process. • Adsorption triggered by a discharge was a possible mechanism for a synergetic effect. - Abstract: Methanol–steam reforming was performed on Cu/ZnO/Al2O3 catalysts under an electric discharge. The discharge occurred between the electrodes where the catalysts were packed. The electric discharge was characterized by the discharge voltage and electric power to generate the discharge. The existence of a discharge had a synergetic effect on the catalytic reaction for methanol conversion. The electric discharge provided modified reaction paths resulting in a lower temperature for catalyst activation or light off. The discharge partially controlled the yield and selectivity of species in a reforming process. The aspect of control was examined in view of the reaction kinetics. The possible mechanisms for the synergetic effect between the catalytic reaction and electric discharge on methanol–steam reforming were addressed. A discrete reaction path, particularly adsorption triggered by an electric discharge, was suggested to be the most likely mechanism for the synergetic effect. These results are expected to provide a guide for understanding the plasma–catalyst hybrid reaction

  14. A QM/MM study of the catalytic mechanism of nicotinamidase.

    Science.gov (United States)

    Sheng, Xiang; Liu, Yongjun

    2014-02-28

    Nicotinamidase (Pnc1) is a member of Zn-dependent amidohydrolases that hydrolyzes nicotinamide (NAM) to nicotinic acid (NA), which is a key step in the salvage pathway of NAD(+) biosynthesis. In this paper, the catalytic mechanism of Pnc1 has been investigated by using a combined quantum-mechanical/molecular-mechanical (QM/MM) approach based on the recently obtained crystal structure of Pnc1. The reaction pathway, the detail of each elementary step, the energetics of the whole catalytic cycle, and the roles of key residues and Zn-binding site are illuminated. Our calculation results indicate that the catalytic water molecule comes from the bulk solvent, which is then deprotonated by residue D8. D8 functions as a proton transfer station between C167 and NAM, while the activated C167 serves as the nucleophile. The residue K122 only plays a role in stabilizing intermediates and transition states. The oxyanion hole formed by the amide backbone nitrogen atoms of A163 and C167 has the function to stabilize the hydroxyl anion of nicotinamide. The Zn-binding site rather than a single Zn(2+) ion acts as a Lewis acid to influence the reaction. Two elementary steps, the activation of C167 in the deamination process and the decomposition of catalytic water in the hydrolysis process, correspond to the large energy barriers of 25.7 and 28.1 kcal mol(-1), respectively, meaning that both of them contribute a lot to the overall reaction barrier. Our results may provide useful information for the design of novel and efficient Pnc1 inhibitors and related biocatalytic applications. PMID:24413890

  15. Interagency mechanical operations group numerical systems group

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    This report consists of the minutes of the May 20-21, 1971 meeting of the Interagency Mechanical Operations Group (IMOG) Numerical Systems Group. This group looks at issues related to numerical control in the machining industry. Items discussed related to the use of CAD and CAM, EIA standards, data links, and numerical control.

  16. Catalytic mechanisms, basic roles, and biotechnological and environmental significance of halogenating enzymes

    Institute of Scientific and Technical Information of China (English)

    Xianping Chen; Karl-Heinz van Pée

    2008-01-01

    The understanding of enzymatic incorporation of halogen atoms into organic molecules has increased during the last few years. Two novel types of halogenating enzymes, flavindependent halogenases and α-ketoglutarate-dependent halogenases, are now known to play a significant role in enzyme-catalyzed halogenation. The recent advances on the halogenating enzymes RebH, SyrB2, and CytC3 have suggested some new mechanisms for enzymatic halogenations. This review concentrates on the occurrence, catalytic mechanisms, and biotechnological applications of the halogenating enzymes that are currently known.

  17. Molecular Simulation of Naphthenic Acid Removal on Acidic Catalyst (Ⅰ) Mechanism of Catalytic Decarboxylation

    Institute of Scientific and Technical Information of China (English)

    Fu Xiaoqin; Dai Zhenyu; Tian Songbai; Hou Suandi; Wang Xieqing

    2008-01-01

    In this paper, the charge distribution, the chemical bond order and the reactive performance of carboxylic acid model compounds on acidic catalyst were investigated by using molecular simulation technology. The simulation results showed that the bond order of C-O was higher than that of C-C,and C-C bond connected to the carbon atom in the carboxyl radical had the lowest bond order. The charge distributions of model naphthenic acids were similar in characteristics that the negative charges were concentrated on carboxyls. According to the simulation results, the mechanisms of catalytic decarboxylation over acidic solid catalyst were proposed, and a new route was put forward regarding removal of the naphthenic acid from crude oil through catalytic decarboxylation.

  18. ALD Functionalized Nanoporous Gold: Thermal Stability, Mechanical Properties, and Catalytic Activity

    Energy Technology Data Exchange (ETDEWEB)

    Biener, M M; Biener, J; Wichmann, A; Wittstock, A; Baumann, T F; Baeumer, M; Hamza, A V

    2011-03-24

    Nanoporous metals have many technologically promising applications but their tendency to coarsen limits their long-term stability and excludes high temperature applications. Here, we demonstrate that atomic layer deposition (ALD) can be used to stabilize and functionalize nanoporous metals. Specifically, we studied the effect of nanometer-thick alumina and titania ALD films on thermal stability, mechanical properties, and catalytic activity of nanoporous gold (np-Au). Our results demonstrate that even only one-nm-thick oxide films can stabilize the nanoscale morphology of np-Au up to 1000 C, while simultaneously making the material stronger and stiffer. The catalytic activity of np-Au can be drastically increased by TiO{sub 2} ALD coatings. Our results open the door to high temperature sensor, actuator, and catalysis applications and functionalized electrodes for energy storage and harvesting applications.

  19. Automated Prediction of Catalytic Mechanism and Rate Law Using Graph-Based Reaction Path Sampling.

    Science.gov (United States)

    Habershon, Scott

    2016-04-12

    In a recent article [ J. Chem. Phys. 2015 , 143 , 094106 ], we introduced a novel graph-based sampling scheme which can be used to generate chemical reaction paths in many-atom systems in an efficient and highly automated manner. The main goal of this work is to demonstrate how this approach, when combined with direct kinetic modeling, can be used to determine the mechanism and phenomenological rate law of a complex catalytic cycle, namely cobalt-catalyzed hydroformylation of ethene. Our graph-based sampling scheme generates 31 unique chemical products and 32 unique chemical reaction pathways; these sampled structures and reaction paths enable automated construction of a kinetic network model of the catalytic system when combined with density functional theory (DFT) calculations of free energies and resultant transition-state theory rate constants. Direct simulations of this kinetic network across a range of initial reactant concentrations enables determination of both the reaction mechanism and the associated rate law in an automated fashion, without the need for either presupposing a mechanism or making steady-state approximations in kinetic analysis. Most importantly, we find that the reaction mechanism which emerges from these simulations is exactly that originally proposed by Heck and Breslow; furthermore, the simulated rate law is also consistent with previous experimental and computational studies, exhibiting a complex dependence on carbon monoxide pressure. While the inherent errors of using DFT simulations to model chemical reactivity limit the quantitative accuracy of our calculated rates, this work confirms that our automated simulation strategy enables direct analysis of catalytic mechanisms from first principles. PMID:26938837

  20. The catalytic mechanism of benzoxazine to the polymerization of cyanate ester

    International Nuclear Information System (INIS)

    Two model compounds, 3-Phenyl-3,4-dihydro-2H-1,3-benzoxazine (PA) and 6,8-dimethyl-3-(2,4,6-trimethyl-phenyl)-3,4-dihydro-2H-1,3-benzoxazine (s-PA), were successfully synthesized and purificated. Compared with PA, s-PA also catalyzed the polymerization of BADCy even though there was no phenolic hydroxyl in its final ring-opened structures. It was confirmed that the real mechanism of benzoxazine catalyzing the polymerization of cyanate ester is the nucleophilic addition reaction of the oxygen anion on ring-opened benzoxazine to the positively charged carbon atom on cyano group. The catalytic effect also contains the contribution from the phenolic hydroxyl, but it is a secondary factor. - Highlights: • Two model compounds, PA and s-PA, were successfully synthesized and purificated. • There is no phenolic hydroxyl in the final ring-opened structures of s-PA. • Compared with PA, s-PA also can catalyze the polymerization of BADCy. • The main catalytic process is caused by the oxygen anion. • The catalytic effect from the phenolic hydroxyl is a secondary factor

  1. The catalytic mechanism of benzoxazine to the polymerization of cyanate ester

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiaodan, E-mail: 12345ruby@163.com [Chongqing Key Laboratory of Catalysis and Functional Organic Molecules, College of Environment and Biological Engineering, Chongqing Technology and Business University, Chongqing 400067 (China); Luo, Xiaoyong; Liu, Ming [State Key Laboratory of Polymer Materials Engineering, College of Polymer Science and Engineering, Sichuan University, Sichuan, Chengdu 610065 (China); Ran, Qichao, E-mail: qichaoran@126.com [State Key Laboratory of Polymer Materials Engineering, College of Polymer Science and Engineering, Sichuan University, Sichuan, Chengdu 610065 (China); Gu, Yi, E-mail: guyi@scu.edu.cn [State Key Laboratory of Polymer Materials Engineering, College of Polymer Science and Engineering, Sichuan University, Sichuan, Chengdu 610065 (China)

    2014-11-14

    Two model compounds, 3-Phenyl-3,4-dihydro-2H-1,3-benzoxazine (PA) and 6,8-dimethyl-3-(2,4,6-trimethyl-phenyl)-3,4-dihydro-2H-1,3-benzoxazine (s-PA), were successfully synthesized and purificated. Compared with PA, s-PA also catalyzed the polymerization of BADCy even though there was no phenolic hydroxyl in its final ring-opened structures. It was confirmed that the real mechanism of benzoxazine catalyzing the polymerization of cyanate ester is the nucleophilic addition reaction of the oxygen anion on ring-opened benzoxazine to the positively charged carbon atom on cyano group. The catalytic effect also contains the contribution from the phenolic hydroxyl, but it is a secondary factor. - Highlights: • Two model compounds, PA and s-PA, were successfully synthesized and purificated. • There is no phenolic hydroxyl in the final ring-opened structures of s-PA. • Compared with PA, s-PA also can catalyze the polymerization of BADCy. • The main catalytic process is caused by the oxygen anion. • The catalytic effect from the phenolic hydroxyl is a secondary factor.

  2. Flavin-dependent alcohol oxidase from yeast : Studies on the catalytic mechanism and inactivation during turnover

    OpenAIRE

    Geissler, Johanna; Ghisla, Sandro; Kroneck, Peter M.

    1986-01-01

    The kinetic course of the reaction of methanol and deutero-methanol with FAD-dependent alcohol oxidase was investigated under single-turnover conditions [kred ≈ 15000 min−1 (1H3COH) and ≈ 4300 min−1 (2H3COH)] and multiple-turnover conditions [TNmax ≈ 6000 min−1 (1H3COH) and ≈ 3100 min−1 (2H3COH)]. A kinetic scheme for the overall catalytic mechanism is proposed, which is characterized by (1) formation of a Michaelis complex between enzyme and substrate, (2) the reductive step involving partly...

  3. FE-analysis of a catalytic converter during canning process and in operating state of the vehicle; FE-Analyse eines Katalysators beim Fertigungsprozess und im Fahrzeugbetrieb

    Energy Technology Data Exchange (ETDEWEB)

    Wenz, M.; Lakshminarayanan, Saravanan; Wirth, G.; Dong Ming [J. Eberspaecher GmbH und Co. KG, Esslingen (Germany)

    2006-01-01

    Since the introduction of three-way catalytic converter in exhaust system of spark-ignition engines in Europe had started during the year of the 1980s, the mechanical and thermal loads on this system has been considerably increased. The oscillation accelerations and temperatures of this part have increased because of shifting it from the under body construction unit to the manifold. The present article from Eberspaecher describers the FEM analysis of loads and safety factors of the mat materials in a catalytic converter during the canning process and in the operating state of the vehicle. The mounting of the ceramic substrate in the tin can takes place, like increasingly applied today, by usage of an aluminum oxide fiber mat. (orig.)

  4. Mechanism of store-operated calcium entry

    Indian Academy of Sciences (India)

    Devkanya Dutta

    2000-12-01

    Activation of receptors coupled to the phospholipase C/IP3 signalling pathway results in a rapid release of calcium from its intracellular stores, eventually leading to depletion of these stores. Calcium store depletion triggers an influx of extracellular calcium across the plasma membrane, a mechanism known as the store-operated calcium entry or capacitative calcium entry. Capacitative calcium current plays a key role in replenishing calcium stores and activating various physiological processes. Despite considerable efforts, very little is known about the molecular nature of the capacitative channel and the signalling pathway that activates it. This review summarizes our current knowledge about store operated calcium entry and suggests possible hypotheses for its mode of activation.

  5. Crystal Structure of a Novel Viral Protease with a Serine/Lysine Catalytic Dyad Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Feldman,A.; Lee, J.; Delmas, B.; Paetzel, M.

    2006-01-01

    The blotched snakehead virus (BSNV), an aquatic birnavirus, encodes a polyprotein (NH2-pVP2-X-VP4-VP3-COOH) that is processed through the proteolytic activity of its own protease (VP4) to liberate itself and the viral proteins pVP2, X and VP3. The protein pVP2 is further processed by VP4 to give rise to the capsid protein VP2 and four structural peptides. We report here the crystal structure of a VP4 protease from BSNV, which displays a catalytic serine/lysine dyad in its active site. This is the first crystal structure of a birnavirus protease and the first crystal structure of a viral protease that utilizes a lysine general base in its catalytic mechanism. The topology of the VP4 substrate binding site is consistent with the enzymes substrate specificity and a nucleophilic attack from the si-face of the substrates scissile bond. Despite low levels of sequence identity, VP4 shows similarities in its active site to other characterized Ser/Lys proteases such as signal peptidase, LexA protease and Lon protease. Together, the structure of VP4 provides insights into the mechanism of a recently characterized clan of serine proteases that utilize a lysine general base and reveals the structure of potential targets for antiviral therapy, especially for other related and economically important viruses, such as infectious bursal disease virus in poultry and infectious pancreatic necrosis virus in aquaculture.

  6. A Common Catalytic Mechanism for Proteins of the HutI Family

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi,R.; Eswaramoorthy, S.; Burley, S.; Raushel, F.; Swaminathan, S.

    2008-01-01

    Imidazolonepropionase (HutI) (imidazolone-5-propanote hydrolase, EC 3.5.2.7) is a member of the amidohydrolase superfamily and catalyzes the conversion of imidazolone-5-propanoate to N-formimino-l-glutamate in the histidine degradation pathway. We have determined the three-dimensional crystal structures of HutI from Agrobacterium tumefaciens (At-HutI) and an environmental sample from the Sargasso Sea Ocean Going Survey (Es-HutI) bound to the product [N-formimino-l-glutamate (NIG)] and an inhibitor [3-(2, 5-dioxoimidazolidin-4-yl)propionic acid (DIP)], respectively. In both structures, the active site is contained within each monomer, and its organization displays the landmark feature of the amidohydrolase superfamily, showing a metal ligand (iron), four histidines, and one aspartic acid. A catalytic mechanism involving His265 is proposed on the basis of the inhibitor-bound structure. This mechanism is applicable to all HutI forms.

  7. QM/MM investigation of the catalytic mechanism of angiotensin-converting enzyme.

    Science.gov (United States)

    Mu, Xia; Zhang, Chunchun; Xu, Dingguo

    2016-06-01

    Angiotensin-converting enzyme (ACE) converts angiotensin I to angiotensin II and degrades bradykinin and other vasoactive peptides. ACE inhibitors are used to treat diseases such as hypertension and heart failure. It is thus highly desirable to understand the catalytic mechanism of ACE, as this should facilitate the design of more powerful and selective ACE inhibitors. ACE exhibits two different active domains, the C-domain and the N-domain. In this work, we systematically investigated the inhibitor- and substrate-binding patterns in the N-domain of human ACE using a combined quantum mechanical and molecular mechanical approach. The hydrolysis of hippuryl-histidyl-leucine (HHL) as catalyzed by the N-domain of human somatic ACE was explored, and the effects of chloride ion on the overall reaction were also investigated. Two models, one with and one without a chloride ion at the first binding position, were then designed to examine the chloride dependence of inhibitor-substrate binding and the catalytic mechanism. Our calculations indicate that the hydrolysis reaction follows a stepwise general base/general acid catalysis path. The estimated mean free energy barrier height in the two models is about 15.6 kcal/mol, which agrees very well with the experimentally estimated value of 15.8 kcal/mol. Our simulations thus suggest that the N-domain is in a mixed form during ACE-catalyzed hydrolysis, with the single-chloride-ion and the double-chloride-ion forms existing simultaneously. Graphical Abstract Superposition of ACE C- and N- domains. PMID:27184002

  8. Catalytic and electrochemical behaviour of solid oxide fuel cell operated with simulated-biogas mixtures

    Science.gov (United States)

    Dang-Long, T.; Quang-Tuyen, T.; Shiratori, Y.

    2016-06-01

    Being produced from organic matters of wastes (bio-wastes) through a fermentation process, biogas mainly composed of CH4 and CO2 and can be considered as a secondary energy carrier derived from solar energy. To generate electricity from biogas through the electrochemical process in fuel cells is a state-of-the-art technology possessing higher energy conversion efficiency without harmful emissions compared to combustion process in heat engines. Getting benefits from high operating temperature such as direct internal reforming ability and activation of electrochemical reactions to increase overall system efficiency, solid oxide fuel cell (SOFC) system operated with biogas becomes a promising candidate for distributed power generator for rural applications leading to reductions of environmental issues caused by greenhouse effects and bio-wastes. CO2 reforming of CH4 and electrochemical oxidation of the produced syngas (H2-CO mixture) are two main reaction processes within porous anode material of SOFC. Here catalytic and electrochemical behavior of Ni-ScSZ (scandia stabilized-zirconia) anode in the feed of CH4-CO2 mixtures as simulated-biogas at 800 °C were evaluated. The results showed that CO2 had strong influences on both reaction processes. The increase in CO2 partial pressure resulted in the decrease in anode overvoltage, although open-circuit voltage was dropped. Besides that, the simulation result based on a power-law model for equimolar CH4-CO2 mixture revealed that coking hazard could be suppressed along the fuel flow channel in both open-circuit and closed-circuit conditions.

  9. Study on Mechanism for Formation of Carbon Oxides During Catalytic Cracking of High Acidic Crude

    Institute of Scientific and Technical Information of China (English)

    Wei Xiaoli; Mao Anguo; Xie Chaogang

    2007-01-01

    Based on the basis of analysis and interpretation of the products distribution of catalytic cracking of high acidic crude,the mechanism for decarboxylation of petroleum acids during FCC process was discussed.The protons originated from the Br(o)nsted acid sites can combine with oxygen of the carbonyl groups with more negative charges to form reaction intermediates that Call be subjected to cleavage at the weak bonds,leading to breaking of carboxylic groups from the carboxylic acids followed by its decomposition to form alkyl three-coordinated carbenium ions,CO and H2O.The Lewis acid as an electrophilic reagent can abstract carboxylic groups from carboxylic acids to subsequently release CO2.

  10. Catalytic Mechanism of Nitrile Hydratase Subsequent to Cyclic Intermediate Formation: A QM/MM Study.

    Science.gov (United States)

    Kayanuma, Megumi; Shoji, Mitsuo; Yohda, Masafumi; Odaka, Masafumi; Shigeta, Yasuteru

    2016-04-01

    The catalytic mechanism of an Fe-containing nitrile hydratase (NHase) subsequent to the formation of a cyclic intermediate was investigated using a hybrid quantum mechanics/molecular mechanics (QM/MM) method. We identified the following mechanism: (i) proton transfer from βTyr72 to the substrate via αSer113, and cleavage of the S-O bond of αCys114-SO(-) and formation of a disulfide bond between αCys109 and αCys114; (ii) direct attack of a water molecule on the sulfur atom of αCys114, which resulted in the generation of both an imidic acid and a renewed sulfenic cysteine; and (iii) isomerization of the imidic acid to the amide. In addition, to clarify the role of βArg56K, which is one of the essential amino residues in the enzyme, we analyzed a βR56K mutant in which βArg56 was replaced by Lys. The results suggest that βArg56 is necessary for the formation of disulfide intermediate by stabilizing the cleavage of the S-O bond via a hydrogen bond with the oxygen atom of αCys114-SO(-). PMID:27007978

  11. First-principles quantum-mechanical investigations: The role of water in catalytic conversion of furfural on Pd(111)

    Science.gov (United States)

    Xue, Wenhua; Borja, Miguel Gonzalez; Resasco, Daniel E.; Wang, Sanwu

    2015-03-01

    In the study of catalytic reactions of biomass, furfural conversion over metal catalysts with the presence of water has attracted wide attention. Recent experiments showed that the proportion of alcohol product from catalytic reactions of furfural conversion with palladium in the presence of water is significantly increased, when compared with other solvent including dioxane, decalin, and ethanol. We investigated the microscopic mechanism of the reactions based on first-principles quantum-mechanical calculations. We particularly identified the important role of water and the liquid/solid interface in furfural conversion. Our results provide atomic-scale details for the catalytic reactions. Supported by DOE (DE-SC0004600). This research used the supercomputer resources at NERSC, of XSEDE, at TACC, and at the Tandy Supercomputing Center.

  12. Analysis of the Staphylococcus aureus DgkB Structure Reveals a Common Catalytic Mechanism for the Soluble Diacylglycerol Kinases

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Darcie J.; Jerga, Agoston; Rock, Charles O.; White, Stephen W. (SJCH)

    2008-08-11

    Soluble diacylglycerol (DAG) kinases function as regulators of diacylglycerol metabolism in cell signaling and intermediary metabolism. We report the structure of a DAG kinase, DgkB from Staphylococcus aureus, both as the free enzyme and in complex with ADP. The molecule is a tight homodimer, and each monomer comprises two domains with the catalytic center located within the interdomain cleft. Two distinctive features of DkgB are a structural Mg{sup 2+} site and an associated Asp{center_dot}water{center_dot}Mg{sup 2+} network that extends toward the active site locale. Site-directed mutagenesis revealed that these features play important roles in the catalytic mechanism. The key active site residues and the components of the Asp{center_dot}water{center_dot}Mg{sup 2+} network are conserved in the catalytic cores of the mammalian signaling DAG kinases, indicating that these enzymes use the same mechanism and have similar structures as DgkB.

  13. Analysis of the Staphylococcus aureus DgkB structure reveals a common catalytic mechanism for the soluble diacylglycerol kinases.

    Science.gov (United States)

    Miller, Darcie J; Jerga, Agoston; Rock, Charles O; White, Stephen W

    2008-07-01

    Soluble diacylglycerol (DAG) kinases function as regulators of diacylglycerol metabolism in cell signaling and intermediary metabolism. We report the structure of a DAG kinase, DgkB from Staphylococcus aureus, both as the free enzyme and in complex with ADP. The molecule is a tight homodimer, and each monomer comprises two domains with the catalytic center located within the interdomain cleft. Two distinctive features of DkgB are a structural Mg2+ site and an associated Asp*water*Mg2+ network that extends toward the active site locale. Site-directed mutagenesis revealed that these features play important roles in the catalytic mechanism. The key active site residues and the components of the Asp*water*Mg2+ network are conserved in the catalytic cores of the mammalian signaling DAG kinases, indicating that these enzymes use the same mechanism and have similar structures as DgkB. PMID:18611377

  14. Catalytic mechanism of Cu(p-OTs)2/ethanolamine as mimetic enzyme

    Institute of Scientific and Technical Information of China (English)

    宋继国; 沈培康

    2004-01-01

    The electrochemical behaviors of various copper salts complexes coordinated with equal molar ethanolamine were studied, and those of Cu(p-OTs)2 and Cu(p-OTs)2/ethanolamine(1:1) complex in CH3OH or DMF were characterized. The results show that the reduction of Cu( Ⅱ ) in Cu(p-OTs)2 is via one two-electron step mechanism both in CH3 OH and DMF. The reduction mechanism transforms to two one-electron steps in the case of Cu (p-OTs)2/ethanolamine(1:1) in DMF. However, it does not change in CH3 OH. All the Cu( Ⅱ )/ethanolamine(1:1) with the electrochemical reactions are through two one-electron steps, and can act as mimetic enzyme to oxidize 1, 1'-bi-2-naphthol. The Cu( Ⅱ )/ethanolamine(1:1) with electrochemical reactions through one two-electron step could not act as mimetic enzyme. It is concluded that the transformation between centre Cu( Ⅱ ) and Cu( Ⅰ ) is the crucial condition for the catalytic activity of copper-amine complex.

  15. Catalytic mechanism and product specificity of cyclodextrin glycosyltransferase, a prototypical transglycosylase from the α-amylase family

    OpenAIRE

    Uitdehaag, Joost C.M.; Veen, Bart A. van der; Dijkhuizen, Lubbert; Dijkstra, Bauke W.

    2002-01-01

    The catalytic mechanism of cyclodextrin glycosyltransferase, a member of the α-amylase family, is reviewed. The focus is put on the bond cleavage mechanism, the nature of the transition state and of the covalent intermediate, and on the stereo-electronic and lateral protonation contributions to catalysis. The functions in catalysis of the absolutely conserved residues in this family are discussed. Finally, the fascinating capability of cyclodextrin glycosyltransferase to produce cyclodextrins...

  16. Mechanism of influence of phosphorylation on serine 124 on a decrease of catalytic activity of human thymidylate synthase

    OpenAIRE

    Jarmuła, Adam; Frączyk, Tomasz; Cieplak, Piotr; Rode, Wojciech

    2010-01-01

    Regulation by phosphorylation is a well-established mechanism for controlling biological activity of proteins. Recently, phosphorylation of serine 124 in human thymidylate synthase (hTS) has been shown to lower the catalytic activity of the enzyme. To clarify a possible mechanism of the observed influence, molecular dynamics (MD), essential dynamics (ED) and MM-GBSA studies were undertaken. Structures derived from the MD trajectories reveal incorrect binding alignment between the pyrimidine r...

  17. Catalytic oxidation at surfaces: insight from first-principles statistical mechanics (abstract only)

    Science.gov (United States)

    Rogal, Jutta

    2008-02-01

    Accomplishing a first-principles modeling of heterogeneous catalysis that allows for a quantitative description of the catalytic activity over a wide range of relevant environmental conditions (e.g. elevated temperatures and ambient pressures) poses an enormous challenge. Detailed insight into the elementary processes taking place on a microscopic level can nowadays often be obtained by employing ab initio electronic structure theory calculations. The statistical interplay between these processes, however, which is decisive for the functionality of a material only evolves in the mesoscopic to macroscopic regime. Here we apply a multiscale modeling approach to achieve a predictive modeling of macroscopic material properties on the basis of a microscopic understanding. Within this approach we use density-functional theory to accurately describe the elementary processes in the microscopic regime and we then combine these results with concepts from thermodynamics and statistical mechanics to obtain an appropriate linking to the mesoscopic and macroscopic regimes. Employing this approach to the field of heterogeneous catalysis we investigate CO oxidation over the Pd(100) surface as an example, particularly focusing on the relevance of the surrounding gas phase as well as the reaction kinetics on the structure and composition of the catalyst surface.

  18. Ire1 Has Distinct Catalytic Mechanisms for XBP1/HAC1 Splicing and RIDD

    Directory of Open Access Journals (Sweden)

    Arvin B. Tam

    2014-11-01

    Full Text Available An evolutionarily conserved unfolded protein response (UPR component, IRE1, cleaves XBP1/HAC1 introns in order to generate spliced mRNAs that are translated into potent transcription factors. IRE1 also cleaves endoplasmic-reticulum-associated RNAs leading to their decay, an activity termed regulated IRE1-dependent decay (RIDD; however, the mechanism by which IRE1 differentiates intron cleavage from RIDD is not well understood. Using in vitro experiments, we found that IRE1 has two different modes of action: XBP1/HAC1 is cleaved by IRE1 subunits acting cooperatively within IRE1 oligomers, whereas a single subunit of IRE1 performs RIDD without cooperativity. Furthermore, these distinct activities can be separated by complementation of catalytically inactive IRE1 RNase and mutations at oligomerization interfaces. Using an IRE1 RNase inhibitor, STF-083010, selective inhibition of XBP1 splicing indicates that XBP1 promotes cell survival, whereas RIDD leads to cell death, revealing modulation of IRE1 activities as a drug-development strategy.

  19. Cellular graphene aerogel combines ultralow weight and high mechanical strength: A highly efficient reactor for catalytic hydrogenation

    Science.gov (United States)

    Zhang, Bingxing; Zhang, Jianling; Sang, Xinxin; Liu, Chengcheng; Luo, Tian; Peng, Li; Han, Buxing; Tan, Xiuniang; Ma, Xue; Wang, Dong; Zhao, Ning

    2016-01-01

    The construction of three-dimensional graphene aerogels (GAs) is of great importance owing to their outstanding properties for various applications. Up to now, the combination of ultralow weight and super mechanical strength for GA remains a great challenge. Here we demonstrate the fabrication of cellular GAs by a facile, easily controlled and versatile route, i.e. the chemical reduction of graphene oxide assemblies at oil-water interface under a mild condition (70 °C). The GA is ultralight (with density <3 mg cm−3) yet mechanically resilient because the walls of the cell closely pack in a highly ordered manner to maximize mechanical strength. The GA has been utilized as an appealing reactor for catalytic hydrogenation, which exhibited great advantages such as large oil absorption capability, exceptional catalytic activity, ease of product separation and high stability. PMID:27174450

  20. Cellular graphene aerogel combines ultralow weight and high mechanical strength: A highly efficient reactor for catalytic hydrogenation.

    Science.gov (United States)

    Zhang, Bingxing; Zhang, Jianling; Sang, Xinxin; Liu, Chengcheng; Luo, Tian; Peng, Li; Han, Buxing; Tan, Xiuniang; Ma, Xue; Wang, Dong; Zhao, Ning

    2016-01-01

    The construction of three-dimensional graphene aerogels (GAs) is of great importance owing to their outstanding properties for various applications. Up to now, the combination of ultralow weight and super mechanical strength for GA remains a great challenge. Here we demonstrate the fabrication of cellular GAs by a facile, easily controlled and versatile route, i.e. the chemical reduction of graphene oxide assemblies at oil-water interface under a mild condition (70 °C). The GA is ultralight (with density <3 mg cm(-3)) yet mechanically resilient because the walls of the cell closely pack in a highly ordered manner to maximize mechanical strength. The GA has been utilized as an appealing reactor for catalytic hydrogenation, which exhibited great advantages such as large oil absorption capability, exceptional catalytic activity, ease of product separation and high stability. PMID:27174450

  1. Mechanism for enhanced degradation of clofibric acid in aqueous by catalytic ozonation over MnOx/SBA-15

    International Nuclear Information System (INIS)

    Highlights: • Clofibric acid (CA) is efficiently mineralized by O3/MnOx/SBA-15. • Adsorption of CA and its intermediates on MnOx/SBA-15 is proved unimportant. • Initiation of hydroxyl radicals (·OH) is enhanced in O3/MnOx/SBA-15. • Uniformly distributed MnOx accounts for the high activity of MnOx/SBA-15. • Degradation routes of CA in ozonation alone and catalytic ozonation are proposed. - Abstract: Comparative experiments were conducted to investigate the catalytic ability of MnOx/SBA-15 for the ozonation of clofibric acid (CA) and its reaction mechanism. Compared with ozonation alone, the degradation of CA was barely enhanced, while the removal of TOC was significantly improved by catalytic ozonation (O3/MnOx/SBA-15). Adsorption of CA and its intermediates by MnOx/SBA-15 was proved unimportant in O3/MnOx/SBA-15 due to the insignificant adsorption of CA and little TOC variation after ceasing ozone in stopped-flow experiment. The more remarkably inhibition effect of sodium bisulfite (NaHSO3) on the removal of TOC in catalytic ozonation than in ozonation alone elucidated that MnOx/SBA-15 facilitated the generation of hydroxyl radicals (·OH), which was further verified by electron spin-resonance spectroscopy (ESR). Highly dispersed MnOx on SBA-15 were believed to be the main active component in MnOx/SBA-15. Some intermediates were indentified and different degradation routes of CA were proposed in both ozonation alone and catalytic ozonation. The amounts of small molecular carboxylic acids (i.e., formic acid (FA), acetic acid (AA) and oxalic acid (OA)) generated in catalytic ozonation were lower than in ozonation alone, resulting from the generation of more ·OH

  2. Solid-oxide fuel cell operated on in situ catalytic decomposition products of liquid hydrazine

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Hongxia; Ran, Ran; Zhou, Wei; Shao, Zongping; Jin, Wanqin; Xu, Nanping [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology, No. 5 Xing Mofan Road, Nanjing, JiangSu 210009 (China); Ahn, Jeongmin [School of Mechanical and Materials Engineering, Washington State University, Sloan 217, Pullman, WA 99164-2920 (United States)

    2008-03-01

    Hydrazine was examined as a fuel for a solid-oxide fuel cell (SOFC) that employed a typical nickel-based anode. An in situ catalytic decomposition of hydrazine at liquid state under room temperature and ambient pressure before introducing to the fuel cell was developed by applying a Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} (BSCF) oxide catalyst. Catalytic testing demonstrated that liquid N{sub 2}H{sub 4} can be decomposed to gaseous NH{sub 3} and H{sub 2} at a favorable rate and at a temperature as low as 20 C and H{sub 2} selectivity reaching values as high as 10% at 60 C. Comparable fuel cell performance was observed using either the in situ decomposition products of hydrazine or pure hydrogen as fuel. A peak power density of {proportional_to}850 mW cm{sup -2} at 900 C was obtained with a typical fuel cell composed of scandia-stabilized zirconia and La{sub 0.8}Sr{sub 0.2}MnO{sub 3} cathode. The high energy and power density, easy storage and simplicity in fuel delivery make it highly attractive for portable applications. (author)

  3. Major Problems Related with Operation of Catalytic Reforming Units and Countermeasures

    Institute of Scientific and Technical Information of China (English)

    Zhou Jianhua

    2006-01-01

    @@ Currently the catalytic reforming units are playing an increasingly important role for gasoline quality upgrading, increased production of high add-value aromatic compounds and supply of cheap hydrogen resources. The high proportion of FCC gasoline in China' s automotive gasoline pool has led to a quite significant gap in gasoline quality as compared to the demand of World Fuel Charter and even to the new Chinese standards for unleaded automotive gasoline. According to the statistical data, the ratio of FCC naphtha in the gasoline pool is 35% in the US and 27% in EU, whereas that number is 75% in China's gasoline pool. The share of reformate and other high-quality gasoline components in the gasoline pool is 65% in the US and 73% in EU, whereas that number is merely 14% in China's gasoline pool along with a definite share of low-octane (straight-run) gasoline. Therefore, devoting major efforts to the development of catalytic reforming technology to increase the output of high-octane, lowolefin and low-sulfur reformer gasoline component is an effective avenue for gasoline quality upgrading along with increased production of high add-value aromatics and cheap hydrogen.

  4. Cellular graphene aerogel combines ultralow weight and high mechanical strength: A highly efficient reactor for catalytic hydrogenation

    Science.gov (United States)

    Zhang, Bingxing; Zhang, Jianling; Sang, Xinxin; Liu, Chengcheng; Luo, Tian; Peng, Li; Han, Buxing; Tan, Xiuniang; Ma, Xue; Wang, Dong; Zhao, Ning

    2016-05-01

    The construction of three-dimensional graphene aerogels (GAs) is of great importance owing to their outstanding properties for various applications. Up to now, the combination of ultralow weight and super mechanical strength for GA remains a great challenge. Here we demonstrate the fabrication of cellular GAs by a facile, easily controlled and versatile route, i.e. the chemical reduction of graphene oxide assemblies at oil-water interface under a mild condition (70 °C). The GA is ultralight (with density resilient because the walls of the cell closely pack in a highly ordered manner to maximize mechanical strength. The GA has been utilized as an appealing reactor for catalytic hydrogenation, which exhibited great advantages such as large oil absorption capability, exceptional catalytic activity, ease of product separation and high stability.

  5. Mechanism of action of peptidoglycan O-acetyltransferase B involves a Ser-His-Asp catalytic triad.

    Science.gov (United States)

    Moynihan, Patrick J; Clarke, Anthony J

    2014-10-01

    The O-acetylation of the essential cell wall polymer peptidoglycan is essential in many bacteria for their integrity and survival, and it is catalyzed by peptidoglycan O-acetlytransferase B (PatB). Using PatB from Neisseria gonorrhoeae as the model, we have shown previously that the enzyme has specificity for polymeric muropeptides that possess tri- and tetrapeptide stems and that rates of reaction increase with increasing degrees of polymerization. Here, we present the catalytic mechanism of action of PatB, the first to be described for an O-acetyltransferase of any bacterial exopolysaccharide. The influence of pH on PatB activity was investigated, and pKa values of 6.4-6.45 and 6.25-6.35 for the enzyme-substrate complex (kcat vs pH) and the free enzyme (kcat·KM(-1) vs pH), respectively, were determined for the respective cosubstrates. The enzyme is partially inactivated by sulfonyl fluorides but not by EDTA, suggesting the participation of a serine residue in its catalytic mechanism. Alignment of the known and hypothetical PatB amino acid sequences identified Ser133, Asp302, and His305 as three invariant amino acid residues that could potentially serve as a catalytic triad. Replacement of Asp302 with Ala resulted in an enzyme with less than 20% residual activity, whereas activity was barely detectable with (His305 → Ala)PatB and (Ser133 → Ala)PatB was totally inactive. The reaction intermediate of the transferase reaction involving acetyl- and propionyl-acyl donors was trapped on both the wild-type and (Asp302 → Ala) enzymes and LC-MS/MS analysis of tryptic peptides identified Ser133 as the catalytic nucleophile. A transacetylase mechanism is proposed based on the mechanism of action of serine esterases. PMID:25215566

  6. Structural Insights into the Catalytic Mechanism of Escherichia coli Selenophosphate Synthetase

    Energy Technology Data Exchange (ETDEWEB)

    Noinaj, Nicholas; Wattanasak, Rut; Lee, Duck-Yeon; Wally, Jeremy L.; Piszczek, Grzegorz; Chock, P. Boon; Stadtman, Thressa C.; Buchanan, Susan K. (NIH)

    2012-03-26

    Selenophosphate synthetase (SPS) catalyzes the synthesis of selenophosphate, the selenium donor for the biosynthesis of selenocysteine and 2-selenouridine residues in seleno-tRNA. Selenocysteine, known as the 21st amino acid, is then incorporated into proteins during translation to form selenoproteins which serve a variety of cellular processes. SPS activity is dependent on both Mg{sup 2+} and K{sup +} and uses ATP, selenide, and water to catalyze the formation of AMP, orthophosphate, and selenophosphate. In this reaction, the gamma phosphate of ATP is transferred to the selenide to form selenophosphate, while ADP is hydrolyzed to form orthophosphate and AMP. Most of what is known about the function of SPS has derived from studies investigating Escherichia coli SPS (EcSPS) as a model system. Here we report the crystal structure of the C17S mutant of SPS from E. coli (EcSPS{sup C17S}) in apo form (without ATP bound). EcSPS{sup C17S} crystallizes as a homodimer, which was further characterized by analytical ultracentrifugation experiments. The glycine-rich N-terminal region (residues 1 through 47) was found in the open conformation and was mostly ordered in both structures, with a magnesium cofactor bound at the active site of each monomer involving conserved aspartate residues. Mutating these conserved residues (D51, D68, D91, and D227) along with N87, also found at the active site, to alanine completely abolished AMP production in our activity assays, highlighting their essential role for catalysis in EcSPS. Based on the structural and biochemical analysis of EcSPS reported here and using information obtained from similar studies done with SPS orthologs from Aquifex aeolicus and humans, we propose a catalytic mechanism for EcSPS-mediated selenophosphate synthesis.

  7. Thermal catalytic oxidation of octachloronaphthalene over anatase TiO2 nanomaterial and its hypothesized mechanism

    Science.gov (United States)

    Su, Guijin; Li, Qianqian; Lu, Huijie; Zhang, Lixia; Huang, Linyan; Yan, Li; Zheng, Minghui

    2015-12-01

    As an environmentally-green technology, thermal catalytic oxidation of octachloronaphthalene (CN-75) over anatase TiO2 nanomaterials was investigated at 300 °C. A wide range of oxidation intermediates, which were investigated using various techniques, could be of three types: naphthalene-ring, single-benzene-ring, and completely ring-opened products. Reactive oxygen species on anatase TiO2 surface, such as O2-• and O2-, contributed to oxidative degradation. Based on these findings, a novel oxidation degradation mechanism was proposed. The reaction at (101) surface of anatase TiO2 was used as a model. The naphthalene-ring oxidative products with chloronaphthols and hydroxyl-pentachloronaphthalene-dione, could be formed via attacking the carbon of naphthalene ring at one or more positions by nucleophilic O2-. Lateral cleavage of the naphthalene ring at different C1-C10 and C4-C9, C1-C2 and C4-C9, C1-C2 or and C3-C4 bond positions by electrophilic O2-• could occur. This will lead to the formation of tetrachlorophenol, tetrachloro-benzoic acid, tetrachloro-phthalaldehyde, and tetrachloro-acrolein-benzoic acid, partially with further transformation into tetrachlorobenzene-dihydrodiol and tetrachloro-salicylic acid. Unexpectedly, the symmetric half section of CN-75 could be completely remained with generating the intricate oxidative intermediates characteristically containing tetrachlorobenzene structure. Complete cleavage of naphthalene ring could produce the ring-opened products, such as formic and acetic acids.

  8. Reaction intermediates in the catalytic mechanism of Escherichia coli MutY DNA glycosylase.

    Science.gov (United States)

    Manuel, Raymond C; Hitomi, Kenichi; Arvai, Andrew S; House, Paul G; Kurtz, Andrew J; Dodson, M L; McCullough, Amanda K; Tainer, John A; Lloyd, R Stephen

    2004-11-01

    The Escherichia coli adenine DNA glycosylase, MutY, plays an important role in the maintenance of genomic stability by catalyzing the removal of adenine opposite 8-oxo-7,8-dihydroguanine or guanine in duplex DNA. Although the x-ray crystal structure of the catalytic domain of MutY revealed a mechanism for catalysis of the glycosyl bond, it appeared that several opportunistically positioned lysine side chains could participate in a secondary beta-elimination reaction. In this investigation, it is established via site-directed mutagenesis and the determination of a 1.35-A structure of MutY in complex with adenine that the abasic site (apurinic/apyrimidinic) lyase activity is alternatively regulated by two lysines, Lys142 and Lys20. Analyses of the crystallographic structure also suggest a role for Glu161 in the apurinic/apyrimidinic lyase chemistry. The beta-elimination reaction is structurally and chemically uncoupled from the initial glycosyl bond scission, indicating that this reaction occurs as a consequence of active site plasticity and slow dissociation of the product complex. MutY with either the K142A or K20A mutation still catalyzes beta and beta-delta elimination reactions, and both mutants can be trapped as covalent enzyme-DNA intermediates by chemical reduction. The trapping was observed to occur both pre- and post-phosphodiester bond scission, establishing that both of these intermediates have significant half-lives. Thus, the final spectrum of DNA products generated reflects the outcome of a delicate balance of closely related equilibrium constants. PMID:15326180

  9. Mechanism of adenylate kinase. Is there a relationship between local substrate dynamics, local binding energy, and the catalytic mechanism?

    International Nuclear Information System (INIS)

    Adenylyl (β,γ-methylene)diphosphonic acid (AMPPCP) labeled with deuterium at the adenine ring ([8-2H]AMPPCP) and at the β,γ-methylene group (AMPPCD2P), as well as adenosine 5'-monophosphate labeled at the adenine ring ([8-2H]AMP), was synthesized and used for deuterium nuclear magnetic resonance (NMR) determination of effective correlation times (τc) of the free nucleotide and the complexes with adenylate kinase (AK). Extensive and rigorous control experiments and theoretical analysis were performed to justify the validity of the experimental approaches, particularly the fast exchange condition, and the reliability of the τc values obtained. For the free nucleotide, the results suggest that the phosphonate group of free AMPPCP possesses appreciable local mobility relative to the adenine ring and that complexation with Mg2+ greatly reduced such a local mobility. These results suggest that the adenine ring of substrates is rigidly bound in all cases, that the phosphonate chain of AMPPCP possesses considerable local mobility, and that Mg2+ reduces such local mobility but does not totally immobilize it. The results suggest that no general correlation exists between the local rigidity of portions of a bound substrate and the corresponding (ground state) local binding energy contributed by these portions. The authors have found that the Ki values for the mixture, the Δ isomer, and the Λ isomer of CrATP are 16, 11, and 20 μM, respectively, which suggest that ground-state binding by AK is stereochemically permissive. The results of both problems fully support the conclusion that the phosphonate chain of AK-MgAMPPCP possesses considerable local mobility and illuminate the relationship between the dynamics of bound substrates and the catalytic mechanism

  10. Operation and uphold of area of liquid ammonia in Selective Catalytic Reduction%SCR氨区的运行维护

    Institute of Scientific and Technical Information of China (English)

    陈建明

    2014-01-01

    液氨是选择性催化还原脱硝法( SCR)工艺首选的脱硝反应剂,它属于危险化学品。氨区的安全运行是SCR系统安全运行的基础保障。从氨区的运行、维护、人员防护和事故处理等方面阐述了SCR系统运行维护中需要注意的一些关键点。%Liquid ammonia is the first choice of reductant in selective catalytic reduction,it is a sort of dangerous chemical. The safe operation in the area of liquid ammonia is foundation of SCR. lt describes take notice of SCR from the operation,uphold,physical protection and accident handling in the area of liquid ammonia.

  11. SCR氨区的运行维护%Operation and uphold of area of liquid ammonia in Selective Catalytic Reduction

    Institute of Scientific and Technical Information of China (English)

    陈建明

    2014-01-01

    液氨是选择性催化还原脱硝法( SCR)工艺首选的脱硝反应剂,它属于危险化学品。氨区的安全运行是SCR系统安全运行的基础保障。从氨区的运行、维护、人员防护和事故处理等方面阐述了SCR系统运行维护中需要注意的一些关键点。%Liquid ammonia is the first choice of reductant in selective catalytic reduction,it is a sort of dangerous chemical. The safe operation in the area of liquid ammonia is foundation of SCR. lt describes take notice of SCR from the operation,uphold,physical protection and accident handling in the area of liquid ammonia.

  12. Pseudo-Hermitian Quantum Mechanics with Unbounded Metric Operators

    OpenAIRE

    Mostafazadeh, Ali

    2012-01-01

    arXiv:1203.6241v5 [math-ph] 18 Dec 2012 Pseudo-Hermitian Quantum Mechanics with Unbounded Metric Operators Ali Mostafazadeh∗ Department of Mathematics, Ko¸c University, 34450 Sarıyer, Istanbul, Turkey Abstract We extend the formulation of pseudo-Hermitian quantum mechanics to +-pseudo- Hermitian Hamiltonian operators H with an unbounded metric operator +. In partic-ular, we give the details of the construction of the physical Hilbert space, observables, and equ...

  13. Synthesis of dendritic iridium nanostructures based on the oriented attachment mechanism and their enhanced CO and ammonia catalytic activities

    Science.gov (United States)

    Wang, Chao; Xiao, Guanjun; Sui, Yongming; Yang, Xinyi; Liu, Gang; Jia, Mingjun; Han, Wei; Liu, Bingbing; Zou, Bo

    2014-11-01

    Branched iridium nanodendrites (Ir NDs) have been synthesized by a simple method based on the oriented attachment mechanism. Transmission electron microscopy images reveal the temporal growth process from small particles to NDs. Precursor concentrations and reaction temperatures have a limited effect on the morphology of Ir NDs. Metal oxide and hydroxide-supported Ir NDs exhibit enhanced activity for catalytic CO oxidation. Particularly, the Fe(OH)x-supported Ir NDs catalyst with a 4 wt% Ir loading show superior CO oxidation catalytic activity with a full conversion of CO at 120 °C. Furthermore, compared with Ir NPs and commercial Ir black, Ir NDs exhibit higher activity and stability for ammonia oxidation. The specific activity and mass activity of Ir NDs for ammonia oxidation are 1.7 and 7 times higher than that of Ir NPs. The improved catalytic activities of Ir NDs are attributed not only to their large specific surface area, but also to their considerably high index facets and rich edge and corner atoms. Hence, the obtained Ir NDs provide a promising alternative for direct ammonia fuel cells and proton-exchange membrane fuel cells.Branched iridium nanodendrites (Ir NDs) have been synthesized by a simple method based on the oriented attachment mechanism. Transmission electron microscopy images reveal the temporal growth process from small particles to NDs. Precursor concentrations and reaction temperatures have a limited effect on the morphology of Ir NDs. Metal oxide and hydroxide-supported Ir NDs exhibit enhanced activity for catalytic CO oxidation. Particularly, the Fe(OH)x-supported Ir NDs catalyst with a 4 wt% Ir loading show superior CO oxidation catalytic activity with a full conversion of CO at 120 °C. Furthermore, compared with Ir NPs and commercial Ir black, Ir NDs exhibit higher activity and stability for ammonia oxidation. The specific activity and mass activity of Ir NDs for ammonia oxidation are 1.7 and 7 times higher than that of Ir NPs. The

  14. Effect of Operating Conditions on Catalytic Gasification of Bamboo in a Fluidized Bed

    Directory of Open Access Journals (Sweden)

    Thanasit Wongsiriamnuay

    2013-01-01

    Full Text Available Catalytic gasification of bamboo in a laboratory-scale, fluidized bed reactor was investigated. Experiments were performed to determine the effects of reactor temperature (400, 500, and 600°C, gasifying medium (air and air/steam, and catalyst to biomass ratio (0 : 1, 1 : 1, and 1.5 : 1 on product gas composition, H2/CO ratio, carbon conversion efficiency, heating value, and tar conversion. From the results obtained, it was shown that at 400°C with air/steam gasification, maximum hydrogen content of 16.5% v/v, carbon conversion efficiency of 98.5%, and tar conversion of 80% were obtained. The presence of catalyst was found to promote the tar reforming reaction and resulted in improvement of heating value, carbon conversion efficiency, and gas yield due to increases in H2, CO, and CH4. The presence of steam and dolomite had an effect on the increasing of tar conversion.

  15. Structural and Biochemical Analyses of Shikimate Dehydrogenase AroE from Aquifex aeolicus: Implications for the Catalytic Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Gan,J.; Wu, Y.; Prabakaran, P.; Gu, Y.; Li, Y.; Andrykovitch, M.; Liu, H.; Gong, Y.; Yan, H.; Ji, X.

    2007-01-01

    The shikimate biosynthetic pathway is essential to microorganisms, plants, and parasites but absent from mammals. Therefore, shikimate dehydrogenase (SD) and other enzymes in the pathway are attractive targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs. SD catalyzes the fourth reaction in the pathway, the nicotinamide adenine dinucleotide phosphate- (NADP-) dependent reduction of 3-dehydroshikimic acid to shikimic acid (SA), as well as its reverse, by the transfer of a hydride. Previous structural studies reveal that the enzyme exists in two major conformations, an open and a closed form. For the reaction to occur, it is believed that the catalytic complex assumes the closed conformation. Nonetheless, the only structure containing both SA and NADP{sup +} exhibits an open conformation (PDB entry 2EV9). Here, we present two crystal structures of Aquifex aeolicus SD, including a ternary complex with both SA and NADP{sup +}, which assumes the closed conformation and therefore contains a catalytically competent active site. On the basis of preexisting and novel structural and biochemical data, a catalytic mechanism is proposed.

  16. Steady-state kinetics with nitric oxide reductase (NOR): new considerations on substrate inhibition profile and catalytic mechanism.

    Science.gov (United States)

    Duarte, Américo G; Cordas, Cristina M; Moura, José J G; Moura, Isabel

    2014-03-01

    Nitric oxide reductase (NOR) from denitrifying bacteria is an integral membrane protein that catalyses the two electron reduction of NO to N2O, as part of the denitrification process, being responsible for an exclusive reaction, the NN bond formation, the key step of this metabolic pathway. Additionally, this class of enzymes also presents residual oxidoreductase activity, reducing O2 to H2O in a four electron/proton reaction. In this work we report, for the first time, steady-state kinetics with the Pseudomonas nautica NOR, either in the presence of its physiological electron donor (cyt. c552) or immobilised on a graphite electrode surface, in the presence of its known substrates, namely NO or O2. The obtained results show that the enzyme has high affinity for its natural substrate, NO, and different kinetic profiles according to the electron donor used. The kinetic data, as shown by the pH dependence, is modelled by ionisable amino acid residues nearby the di-nuclear catalytic site. The catalytic mechanism is revised and a mononitrosyl-non-heme Fe complex (FeB(II)-NO) species is favoured as the first catalytic intermediate involved on the NO reduction. PMID:24412239

  17. Quantum Gravity and a Time Operator in Relativistic Quantum Mechanics

    OpenAIRE

    Bauer, M.

    2016-01-01

    The problem of time in the quantization of gravity arises from the fact that time in Schroedinger's equation is a parameter. This sets time apart from the spatial coordinates, represented by operators in quantum mechanics (QM). Thus "time" in QM and "time" in General Relativity (GR) are seen as mutually incompatible notions. The introduction of a dy- namical time operator in relativistic quantum mechanics (RQM), that in the Heisenberg representation is also a function of the parameter t (iden...

  18. Operational Mechanism and Evaluation System for Emergency Logistics Risks

    OpenAIRE

    Qi Cheng; Lei Yu

    2010-01-01

    Lots of risks existed in the operating process of emergency logistics especially when natural disasters happened. Both operating mechanism and evaluation system research on Emergency Logistics Risks (ELR) are the basis of effective recognizing, preventing and responding to risks, so it’s of great theoretical and practical significance to study the formation and influence mechanism and to establish an evaluating index system for ELR. Firstly, some foundation research about ELR was carried out,...

  19. Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.

    Science.gov (United States)

    Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L; Aldridge, Simon

    2016-03-16

    The catalytic dehydrogenation of ammonia- and amine-boranes by a dimethylxanthene-derived frustrated Lewis pair is described. Turnover is facilitated on a thermodynamic basis by the ready release of H2 from the weakly basic PPh2-containing system. In situ NMR studies and the isolation of intermediates from stoichiometric reactions support a mechanism initiated by B-H activation, followed by end-growth BN coupling involving the terminal NH bond of the bound BN fragment and a BH bond of the incoming borane monomer. PMID:26918906

  20. Catalytic mechanism of the dehydrogenation of ethylbenzene over Fe–Co/Mg(Al)O derived from hydrotalcites

    KAUST Repository

    Tope, Balkrishna B.

    2011-11-01

    Catalytic mechanism of ethylbenzene dehydrogenation over Fe-Co/Mg(Al)O derived from hydrotalcites has been studied based on the XAFS and XPS catalyst characterization and the FTIR measurements of adsorbed species. Fe-Co/Mg(Al)O showed synergy, whereas Fe-Ni/Mg(Al)O showed no synergy, in the dehydrogenation of ethylbenzene. Ni species were stably incorporated as Ni2+ in the regular sites in periclase and spinel structure in the Fe-Ni/Mg(Al)O. Contrarily, Co species exists as a mixture of Co3+/Co2+ in the Fe-Co/Mg(Al)O and was partially isolated from the regular sites in the structures with increasing the Co content. Co addition enhanced Lewis acidity of Fe3+ active sites by forming Fe3+-O-Co 3+/2+(1/1) bond, resulting in an increase in the activity. FTIR of ethylbenzene adsorbed on the Fe-Co/Mg(Al)O clearly showed formations of C-O bond and π-adsorbed aromatic ring. This suggests that ethylbenzene was strongly adsorbed on the Fe3+ acid sites via π-bonding and the dehydrogenation was initiated by α-H+ abstraction from ethyl group on Mg2+-O2- basic sites, followed by C-O-Mg bond formation. The α-H+ abstraction by O2-(-Mg 2+) was likely followed by β-H abstraction, leading to the formations of styrene and H2. Such catalytic mechanism by the Fe 3+ acid-O2-(-Mg2+) base couple and the Fe 3+/Fe2+ reduction-oxidation cycle was further assisted by Co3+/Co2+, leading to a good catalytic activity for the dehydrogenation of ethylbenzene. © 2011 Elsevier B.V. All rights reserved.

  1. Theoretical study of the catalytic desulfurization mechanism of thiiren and its methyl derivative

    OpenAIRE

    L.O. Olatunji; Y.G. S. Atohoun; J.B. Mensah

    2003-01-01

    The desulfurization process of compounds implicates two steps. The first step is the adsorption process on the catalytic site and the second, the breaking of the carbon-heteroatom bond leading to the heteroatom elimination. The adsorption process of thiiren have been studied and published in previous works. The results obtained on MoS3H3+ and MoS4H4 have shown that the adsorption of this molecule was very good on the two and three anionic vacancies sites based on molybdenum. In the present st...

  2. Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography [Neutron and ultrahigh resolution X-ray crystallography reveals water as the proton donor in the catalytic mechanism of dihydrofolate reductase

    International Nuclear Information System (INIS)

    Dihydrofolate reductase (DHFR) catalyzes the NADPH-dependent reduction of dihydrofolate (DHF) to tetrahydrofolate (THF). An important step in the mechanism involves proton donation to the N5 atom of DHF. The inability to determine the protonation states of active site residues and substrate has led to the lack of consensus on a catalytic mechanism. To resolve this ambiguity, we conducted neutron and ultrahigh resolution X-ray crystallographic studies of the pseudo-Michaelis ternary complex of DHFR with folate and NADP+ from E. coli. The neutron data were collected to 2.0 Å resolution using a 3.6 mm3 crystal with the quasi-Laue technique, and the structure reveals that the N3 atom of folate is protonated while Asp27 is negatively charged. Previous mechanisms have proposed a keto-to-enol tautomerization of the substrate to facilitate protonation of the N5 atom. The structure supports the existence of the keto tautomer due to protonation of the N3 atom, suggesting tautomerization is unnecessary for catalysis. In the 1.05 Å resolution X-ray structure of the ternary complex, conformational disorder of the Met20 side chain is coupled to electron density for a partially occupied water within hydrogen-bonding distance of the N5 atom of folate; this suggests direct protonation of substrate by solvent. We propose a catalytic mechanism for DHFR that involves stabilization of the keto tautomer of the substrate, elevation of the pKa of the N5 atom of DHF by Asp27, and protonation of N5 by water whose access to the active site is gated by fluctuation of the Met20 side chain even though the Met-20 loop is closed

  3. Structural and molecular basis of cellulase Cel48F by computational modeling: Insight into catalytic and product release mechanism.

    Science.gov (United States)

    Qian, Mengdan; Guan, Shanshan; Shan, Yaming; Zhang, Hao; Wang, Song

    2016-06-01

    As a processive cellulase, Cel48F from Clostridium cellulolyticum plays a crucial role in cellulose fiber degradation. It has been confirmed in experiment that residue Glu44 will greatly affect the catalytic activity but the mechanism is still unknown. In this study, conventional molecular dynamics, steered molecular dynamics and free energy calculation were integrated to simulate the hydrolysis and product release process to gain insights into the factors that influence catalytic activity. Analysis of simulation results indicated that Glu44 could maintain the proper conformation of its substrate to ensure successful cleavage reaction or serve as a base required in the inverting mechanism in hydrolysis. After hydrolysis is completed, residues Glu44, Asp494, Trp611 and Glu55 participate in hydrogen bond rearrangement during product releasing process. This rearrangement can reduce the sliding barrier and stimulate the product to move toward the exit in the initial release stage. Dependent on the rearrangement, the product moves toward the exit and is exposed to an increasing amount of solvent molecules, which makes solvent effect more and more notable. With the assistance of solvent interaction, product can get rid of the enzyme more easily. However, the subsequent release process remains uncertain because of the disordered motion of solvent molecules. This work provides theoretical data as a basis of cellulase modification or mutation. PMID:26993462

  4. Catalytic mechanism of sodium compounds in black liquor during gasification of coal black liquor slurry

    International Nuclear Information System (INIS)

    The coal black liquor slurry (CBLS) was composed of coal and black pulping liquor, which has plenty of sodium compounds, lignin and cellulose. The sodium compounds have a catalytic effect on the gasification process of coal black liquor slurry, while lignin and cellulose enhance the heat value. Alkali-catalyzed gasification experiments of CBLS and CWS (coal water slurry) are investigated on the thermobalance and fixed bed reactor. The residues of the gasification of CBLS and CWS are analyzed by XRD, SEM and FT-IR. It is found that many micro- and mesopores and zigzag faces exist in the surface of the CBLS coke, which play a key role in the catalytic gasification. Sodium can enhance the reaction potential, weaken the bond of C-O and improve the gasification reaction rate. XRD results show that sodium aluminum silicate and nepheline are the main crystal components of the CBLS and CWS. The C-O stretching vibration peak in the 1060 cm-1 band in the CBLS shifts to 995.65 cm-1 in the CBLS coke after partial gasification. This means that the energy of the C-O stretching vibration in the CBLS carbon matrix decreases, so the structure of the carbon matrix is more liable to react with an oxygen ion or hydroxide ion. The amplitude of the C-O stretching vibration peak is augmented step by step due to the ground-excited level jump of the C-O band

  5. The substrate specificity and the catalytic mechanism of N-carbamyl- D-amino acid amidohydrolase: A theoretical investigation

    Science.gov (United States)

    Han, Wei-Wei; Zhan, Dong Ling; Luo, Quan; Zhou, Yi-Han; Yao, Yuan; Li, Ze-Sheng; Feng, Yan

    2009-04-01

    N-carbamyl- D-amino acid amidohydrolasecatalyzes the hydrolysis of N-carbamyl- D-amino acids to D-amino acids, ammonia and the carbon dioxide. The docking studies validate that D-NCAase possesses of preference for D-enantiomers, predict that Gly194 and Arg174 may take part in the catalytic mechanism, and Glu136 is essential to maintain the stable conformation for catalysis. The initial step of the acylation reaction catalyzed by D-NCAase has been studied by density functional calculations. It was furthermore demonstrated that Lys126, His143, and Asn196 decrease the reaction barrier, while Asn172 raise the barrier. The structural and mechanistic insights obtained from computational study should be valuable for the mechanisms of cysteine proteases.

  6. Projection operator techniques in Lagrangian mechanics: symmetrically coupled oscillators

    Directory of Open Access Journals (Sweden)

    J. N. Boyd

    1980-01-01

    Full Text Available We apply projection operator techniques to the computation of the natural frequencies of oscillation for three symmetrically coupled mechanical systems. In each case, the rotation subgroup of the full symmetry group is used to determine the projection operators with the result that the Lagrangian must be expressed in terms of complex-valued coordinates. In the coordinate system obtained from the action of the projection operators upon the original coordinates, the Lagrangian yields equations of motion which are separated to the maximum extent made possible by symmetry considerations.

  7. Passive auto-catalytic recombiners operation in the presence of hydrogen and carbon monoxide: Experimental study and model development

    International Nuclear Information System (INIS)

    Highlights: • We studied the hydrogen conversion in the presence of carbon monoxide (CO). • CO recombines at a lower efficiency than hydrogen. • Under the given conditions, hydrogen conversion is not affected by CO. • We used three different numerical codes to simulate the experimental findings. • All codes are reproducing the experimental data well. -- Abstract: In a LWR severe accident, carbon monoxide (CO) may be generated inside the containment due to molten corium concrete interaction (MCCI). As a component of the accident atmosphere, CO will interact with passive auto-catalytic recombiners (PARs) which are installed inside LWR containments for hydrogen (H2) removal. Depending on the boundary conditions, CO may either react with oxygen to carbon dioxide (CO2) or act as catalyst poison, reducing the catalyst activity and hence the hydrogen conversion efficiency. A new experimental test programme performed in co-operation between JÜLICH and RWTH investigates these aspects aiming at providing data for model development for advanced severe accident analyses. In the first test series presented here, the parallel catalytic reaction of H2 and CO on the catalyst surface has been studied, i.e. the hydrogen recombination reaction was started before CO was injected. In total, 33 steady state measurements have been performed. The test series was jointly evaluated by JÜLICH, RWTH and IRSN. The test results show that under the given conditions the conversion of CO into CO2 has no negative impact on the parallel hydrogen conversion. The efficiency of the CO recombination in terms of molar rates is significantly smaller (by a factor of ∼2) than the corresponding H2 conversion efficiency. Due to the exothermal reaction, the parallel CO conversion may also have an impact on the possible ignition of the flammable gases at hot PAR surfaces. The authors have used three different numerical codes for the simulation of the parallel CO/H2 recombination. The codes REKO

  8. Study on Effect and Catalytic Mechanism of the Catalysts for Coal Oxidation in Alkaline Medium%Study on Effect and Catalytic Mechanism of the Catalysts for Coal Oxidation in Alkaline Medium

    Institute of Scientific and Technical Information of China (English)

    刘怀有; 吕经康; 赵永刚; 周尉; 印仁和

    2011-01-01

    Coal electro-oxidation in sodium hydroxide solution with catalysts, K3Fe(CN)6, sodium hypochlorite and sup- ported FeS, were investigated, respectively. Gas produced from electro-analysis of coal slurry was collected by drainage-method and l-t curves were recorded to testify the catalysis of each catalyst for coal oxidation. The results show that the three kinds of catalysts can obviously improve the coal oxidation current. Furthermore, K3Fe(CN)6 and sodium hypochlorite played an indirect oxidation role in the electrolysis process. Catalysts bridge the coal par- ticles and the solid electrode surface, thus increase the coal oxidation rates. The changes of catalyst content during the electrolysis were further determined by quantitative titration to discuss the catalytic Mechanism. The dynamic transition of K3Fe(CN)6/K4Fe(CN)6 and ClO^-/Cl^- are proposed by iodometric method.

  9. Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli.

    Science.gov (United States)

    Hong, Myoung-Ki; Ribeiro, António J M; Kim, Jin-Kwang; Ngo, Ho-Phuong-Thuy; Kim, Jiyoung; Lee, Choong Hwan; Ahn, Yeh-Jin; Fernandes, Pedro Alexandrino; Li, Qing; Ramos, Maria Joao; Kang, Lin-Woo

    2014-05-01

    YmfB from Escherichia coli is the Nudix hydrolase involved in the metabolism of thiamine pyrophosphate, an important compound in primary metabolism and a cofactor of many enzymes. In addition, it hydrolyzes (d)NTPs to (d)NMPs and inorganic orthophosphates in a stepwise manner. The structures of YmfB alone and in complex with three sulfates and two manganese ions determined by X-ray crystallography, when compared with the structures of other Nudix hydrolases such as MutT, Ap4Aase and DR1025, provide insight into the unique hydrolysis mechanism of YmfB. Mass-spectrometric analysis confirmed that water attacks the terminal phosphates of GTP and GDP sequentially. Kinetic analysis of binding-site mutants showed that no individual residue is absolutely required for catalytic activity, suggesting that protein residues do not participate in the deprotonation of the attacking water. Thermodynamic integration calculations show that a hydroxyl ion bound to two divalent metal ions attacks the phosphate directly without the help of a nearby catalytic base. PMID:24816099

  10. NO-CO catalytic reaction on a square lattice: the effect of the Eley-Rideal mechanism

    International Nuclear Information System (INIS)

    Monte Carlo simulations have been used to explore the effects of the Eley-Rideal mechanism (reaction of CO molecule with already chemisorbed oxygen atom to produce CO2) on a simple Langmuir-Hinshelwood model for the NO-CO catalytic reaction on a square surface. The diffusion of the CO and N atoms on the surface and desorption of CO from the surface are also introduced into the model. Without diffusion and desorption, the model generates a very small reactive window of the order of 0.033. The moment CO partial pressure (yCO) departs from zero, continuous production of CO2 and N2 starts. A first-order transition terminates the catalytic activity at yCOyCO= 0.033 and the surface is poisoned with a combination of CO and N. However, the diffusion of the N atom and CO molecule shifts the transition point from 0.033 to higher values of yCO. The introduction of desorption of CO shows some interesting results. A very small desorption probability of CO (=0.01) increases the width of the reactive window to 0.12. However, this reactive window is separated by two transition points y1(∼0.2) and y2(∼0.32). For yCO1 (yCO>y2) the surface is poisoned by a combination of O and N (CO and N). With further increase in desorption probability the width increases significantly. (author)

  11. Fundamental Entangling Operators in Quantum Mechanics and Their Properties

    Science.gov (United States)

    Dao-Ming, Lu

    2016-02-01

    For the first time, we introduce so-called fundamental entangling operators e^{iQ1 P2} and e^{iP1 Q2 } for composing bipartite entangled states of continuum variables, where Q i and P i (i = 1, 2) are coordinate and momentum operator, respectively. We then analyze how these entangling operators naturally appear in the quantum image of classical quadratic coordinate transformation (q 1, q 2) → (A q 1 + B q 2, C q 1 + D q 2), where A D-B C = 1, which means even the basic coordinate transformation (Q 1, Q 2) → (A Q 1 + B Q 2, C Q 1 + D Q 2) involves entangling mechanism. We also analyse their Lie algebraic properties and use the integration technique within an ordered product of operators to show they are also one- and two- mode combinatorial squeezing operators.

  12. Fundamental Entangling Operators in Quantum Mechanics and Their Properties

    Science.gov (United States)

    Dao-Ming, Lu

    2016-07-01

    For the first time, we introduce so-called fundamental entangling operators e^{iQ1 P2} and e^{iP1 Q2 } for composing bipartite entangled states of continuum variables, where Q i and P i ( i = 1, 2) are coordinate and momentum operator, respectively. We then analyze how these entangling operators naturally appear in the quantum image of classical quadratic coordinate transformation ( q 1, q 2) → ( A q 1 + B q 2, C q 1 + D q 2), where A D- B C = 1, which means even the basic coordinate transformation ( Q 1, Q 2) → ( A Q 1 + B Q 2, C Q 1 + D Q 2) involves entangling mechanism. We also analyse their Lie algebraic properties and use the integration technique within an ordered product of operators to show they are also one- and two- mode combinatorial squeezing operators.

  13. Structural Basis on the Catalytic Reaction Mechanism of Novel 1,2-Alpha L-Fucosidase (AFCA) From Bifidobacterium Bifidum

    Energy Technology Data Exchange (ETDEWEB)

    Nagae, M.; Tsuchiya, A.; Katayama, T.; Yamamoto, K.; Wakatsuki, S.; Kato, R.

    2009-06-03

    1,2-alpha-L-fucosidase (AfcA), which hydrolyzes the glycosidic linkage of Fucalpha1-2Gal via an inverting mechanism, was recently isolated from Bifidobacterium bifidum and classified as the first member of the novel glycoside hydrolase family 95. To better understand the molecular mechanism of this enzyme, we determined the x-ray crystal structures of the AfcA catalytic (Fuc) domain in unliganded and complexed forms with deoxyfuconojirimycin (inhibitor), 2'-fucosyllactose (substrate), and L-fucose and lactose (products) at 1.12-2.10 A resolution. The AfcA Fuc domain is composed of four regions, an N-terminal beta region, a helical linker, an (alpha/alpha)6 helical barrel domain, and a C-terminal beta region, and this arrangement is similar to bacterial phosphorylases. In the complex structures, the ligands were buried in the central cavity of the helical barrel domain. Structural analyses in combination with mutational experiments revealed that the highly conserved Glu566 probably acts as a general acid catalyst. However, no carboxylic acid residue is found at the appropriate position for a general base catalyst. Instead, a water molecule stabilized by Asn423 in the substrate-bound complex is suitably located to perform a nucleophilic attack on the C1 atom of L-fucose moiety in 2'-fucosyllactose, and its location is nearly identical near the O1 atom of beta-L-fucose in the products-bound complex. Based on these data, we propose and discuss a novel catalytic reaction mechanism of AfcA.

  14. Quantum chemical investigation on the catalytic mechanism of vanadium iodoperoxidase and the iodination of common organic compounds

    Science.gov (United States)

    Gálvez, Óscar; Pacios, Luis F.

    2010-05-01

    Atmospheric iodine has received considerable attention in the two past decades due to both its potential role in the catalytic destruction of ozone (1) and its contribution to the formation of cloud condensation nuclei (2). It is generally assumed that iodine in the atmosphere has a natural origin since no anthropogenic sources are known. Seaweeds and marine phytoplankton release iodocarbons. In addition, IO and even I2, a major source of particle formation in coastal areas, are also detectable in the atmosphere above kelp beds. However, the reasons why iodocarbons are released by seaweeds and the mechanisms involved in their production remain largely unknown. It is currently well established that the general catalytic role of halide oxidation in marine algae is actually played by vanadium-dependent haloperoxidases enzymes, although relevant details such as protonation states of the vanadate cofactor or even key steps in the mechanism are still unknown. In this contribution, we focus on the iodoperoxidase VIPO enzyme. Quantum calculations on the vanadate cofactor were combined with structural analyses on a reliable three-dimensional model of the VIPO protein to investigate the steps along the catalytic mechanism that lead to the release of halide oxidation products. In addition, iodination reactions of several common organic compounds selected to account for representative volatile and non-volatile iodocarbons were thermodynamically studied by means of high-level ab initio correlated calculations. Free energies of reactions with the three possible iodinating species produced by the enzyme, namely HOI, I2, and I3- were calculated. Our results show that only hypoiodous acid give rise to clearly exoergonic iodination of organic substrates. (1) Saiz-Lopez, A.; Mahajan, A.S.; Salmon, R.A.; Bauguitte, J.B.; Jones, A.E.; Roscoe, H.K.; Plane, J.M.C. Science 2007, 317, 348-351 (2) O'Dowd, C.D.; Jimenez, J.L.; Bahreini, R.; Flagan, R.C.; Seinfeld, J.H.; Hämeri, K.; Pirjola

  15. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.;

    2000-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need to be appl...... (SSI) algorithm. These are compared to other methods such as traditional Modal Analysis....

  16. Mechanism of TRIM25 Catalytic Activation in the Antiviral RIG-I Pathway.

    Science.gov (United States)

    Sanchez, Jacint G; Chiang, Jessica J; Sparrer, Konstantin M J; Alam, Steven L; Chi, Michael; Roganowicz, Marcin D; Sankaran, Banumathi; Gack, Michaela U; Pornillos, Owen

    2016-08-01

    Antiviral response pathways induce interferon by higher-order assembly of signaling complexes called signalosomes. Assembly of the RIG-I signalosome is regulated by K63-linked polyubiquitin chains, which are synthesized by the E3 ubiquitin ligase, TRIM25. We have previously shown that the TRIM25 coiled-coil domain is a stable, antiparallel dimer that positions two catalytic RING domains on opposite ends of an elongated rod. We now show that the RING domain is a separate self-association motif that engages ubiquitin-conjugated E2 enzymes as a dimer. RING dimerization is required for catalysis, TRIM25-mediated RIG-I ubiquitination, interferon induction, and antiviral activity. We also provide evidence that RING dimerization and E3 ligase activity are promoted by binding of the TRIM25 SPRY domain to the RIG-I effector domain. These results indicate that TRIM25 actively participates in higher-order assembly of the RIG-I signalosome and helps to fine-tune the efficiency of the RIG-I-mediated antiviral response. PMID:27425606

  17. Insight into the Catalytic Mechanism of Bimetallic Platinum–Copper Core–Shell Nanostructures for Nonaqueous Oxygen Evolution Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Lu; Luo, Xiangyi; Kropf, A. Jeremy; Wen, Jianguo; Wang, Xiaoping; Lee, Sungsik; Myers, Deborah J.; Miller, Dean; Wu, Tianpin; Lu, Jun; Amine, Khalil

    2016-01-01

    The oxygen evolution reaction (OER) plays a critical role in multiple energy conversion and storage applications. However, its sluggish kinetics usually results in large voltage polarization and unnecessary energy loss. Therefore, designing efficient catalysts that could facilitate this process has become an emerging topic. Here, we present a unique Pt–Cu core–shell nanostructure for catalyzing the nonaqueous OER. The catalysts were systematically investigated with comprehensive spectroscopic techniques, and applied in nonaqueous Li–O2 electrochemical cells, which exhibited dramatically reduced charging overpotential (<0.2 V). The superior performance is explained by the robust Cu(I) surface sites stabilized by the Pt core in the nanostructure. The insights into the catalytic mechanism of the unique Pt–Cu core–shell nanostructure gained in this work are expected to serve as a guide for future design of other nanostructured bimetallic OER catalysts.

  18. Catalytic ignition of light hydrocarbons

    Institute of Scientific and Technical Information of China (English)

    K. L. Hohn; C.-C. Huang; C. Cao

    2009-01-01

    Catalytic ignition refers to phenomenon where sufficient energy is released from a catalytic reaction to maintain further reaction without additional extemai heating. This phenomenon is important in the development of catalytic combustion and catalytic partial oxidation processes, both of which have received extensive attention in recent years. In addition, catalytic ignition studies provide experimental data which can be used to test theoretical hydrocarbon oxidation models. For these reasons, catalytic ignition has been frequently studied. This review summarizes the experimental methods used to study catalytic ignition of light hydrocarbons and describes the experimental and theoretical results obtained related to catalytic ignition. The role of catalyst metal, fuel and fuel concentration, and catalyst state in catalytic ignition are examined, and some conclusions are drawn on the mechanism of catalytic ignition.

  19. Directed evolution of Tau class glutathione transferases reveals a site that regulates catalytic efficiency and masks co-operativity.

    Science.gov (United States)

    Axarli, Irine; Muleta, Abdi W; Vlachakis, Dimitrios; Kossida, Sophia; Kotzia, Georgia; Maltezos, Anastasios; Dhavala, Prathusha; Papageorgiou, Anastassios C; Labrou, Nikolaos E

    2016-03-01

    A library of Tau class GSTs (glutathione transferases) was constructed by DNA shuffling using the DNA encoding the Glycine max GSTs GmGSTU2-2, GmGSTU4-4 and GmGSTU10-10. The parental GSTs are >88% identical at the sequence level; however, their specificity varies towards different substrates. The DNA library contained chimaeric structures of alternated segments of the parental sequences and point mutations. Chimaeric GST sequences were expressed in Escherichia coli and their enzymatic activities towards CDNB (1-chloro-2,4-dinitrobenzene) and the herbicide fluorodifen (4-nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl ether) were determined. A chimaeric clone (Sh14) with enhanced CDNB- and fluorodifen-detoxifying activities, and unusual co-operative kinetics towards CDNB and fluorodifen, but not towards GSH, was identified. The structure of Sh14 was determined at 1.75 Å (1 Å=0.1 nm) resolution in complex with S-(p-nitrobenzyl)-glutathione. Analysis of the Sh14 structure showed that a W114C point mutation is responsible for the altered kinetic properties. This was confirmed by the kinetic properties of the Sh14 C114W mutant. It is suggested that the replacement of the bulky tryptophan residue by a smaller amino acid (cysteine) results in conformational changes of the active-site cavity, leading to enhanced catalytic activity of Sh14. Moreover, the structural changes allow the strengthening of the two salt bridges between Glu(66) and Lys(104) at the dimer interface that triggers an allosteric effect and the communication between the hydrophobic sites. PMID:26637269

  20. Structural and biochemical characterization of peroxiredoxin Qbeta from Xylella fastidiosa: catalytic mechanism and high reactivity.

    Science.gov (United States)

    Horta, Bruno Brasil; de Oliveira, Marcos Antonio; Discola, Karen Fulan; Cussiol, José Renato Rosa; Netto, Luis Eduardo Soares

    2010-05-21

    The phytopathogenic bacterium Xylella fastidiosa is the etiological agent of various plant diseases. To survive under oxidative stress imposed by the host, microorganisms express antioxidant proteins, including cysteine-based peroxidases named peroxiredoxins. This work is a comprehensive analysis of the catalysis performed by PrxQ from X. fastidiosa (XfPrxQ) that belongs to a peroxiredoxin class still poorly characterized and previously considered as moderately reactive toward hydroperoxides. Contrary to these assumptions, our competitive kinetics studies have shown that the second-order rate constants of the peroxidase reactions of XfPrxQ with hydrogen peroxide and peroxynitrite are in the order of 10(7) and 10(6) M(-1) S(-1), respectively, which are as fast as the most efficient peroxidases. The XfPrxQ disulfides were only slightly reducible by dithiothreitol; therefore, the identification of a thioredoxin system as the probable biological reductant of XfPrxQ was a relevant finding. We also showed by site-specific mutagenesis and mass spectrometry that an intramolecular disulfide bond between Cys-47 and Cys-83 is generated during the catalytic cycle. Furthermore, we elucidated the crystal structure of XfPrxQ C47S in which Ser-47 and Cys-83 lie approximately 12.3 A apart. Therefore, significant conformational changes are required for disulfide bond formation. In fact, circular dichroism data indicated that there was a significant redox-dependent unfolding of alpha-helices, which is probably triggered by the peroxidatic cysteine oxidation. Finally, we proposed a model that takes data from this work as well data as from the literature into account. PMID:20335172

  1. Operation of Control Rod Driving Mechanism controller at HANARO

    Energy Technology Data Exchange (ETDEWEB)

    Gyu, Doo Seung; Woo, Lee Min; San, Choe Yeong; Kyoo, Kim Hyung [KAERI, Daejeon (Korea, Republic of)

    2012-10-15

    HANARO (High flux Advanced Neutron Application Reactor) achieved its first critical operation in 1995. Recently, there has been fast developments in the field of electronics. Many manufacturers of I and C components have disappeared or merged with the other companies. The suppliers of the control systems of the CRDM (Control Rod Driving Mechanism) at HANARO have disappeared. Therefore, we needed to change the control system of the CRDM since we cannot be provided with maintenance any longer. In this paper, we investigated the operation of the control system of the CRDM when the controller and motor driver are changed.

  2. Structural analysis of the α-glucosidase HaG provides new insights into substrate specificity and catalytic mechanism.

    Science.gov (United States)

    Shen, Xing; Saburi, Wataru; Gai, Zuoqi; Kato, Koji; Ojima-Kato, Teruyo; Yu, Jian; Komoda, Keisuke; Kido, Yusuke; Matsui, Hirokazu; Mori, Haruhide; Yao, Min

    2015-06-01

    α-Glucosidases, which catalyze the hydrolysis of the α-glucosidic linkage at the nonreducing end of the substrate, are important for the metabolism of α-glucosides. Halomonas sp. H11 α-glucosidase (HaG), belonging to glycoside hydrolase family 13 (GH13), only has high hydrolytic activity towards the α-(1 → 4)-linked disaccharide maltose among naturally occurring substrates. Although several three-dimensional structures of GH13 members have been solved, the disaccharide specificity and α-(1 → 4) recognition mechanism of α-glucosidase are unclear owing to a lack of corresponding substrate-bound structures. In this study, four crystal structures of HaG were solved: the apo form, the glucosyl-enzyme intermediate complex, the E271Q mutant in complex with its natural substrate maltose and a complex of the D202N mutant with D-glucose and glycerol. These structures explicitly provide insights into the substrate specificity and catalytic mechanism of HaG. A peculiar long β → α loop 4 which exists in α-glucosidase is responsible for the strict recognition of disaccharides owing to steric hindrance. Two residues, Thr203 and Phe297, assisted with Gly228, were found to determine the glycosidic linkage specificity of the substrate at subsite +1. Furthermore, an explanation of the α-glucosidase reaction mechanism is proposed based on the glucosyl-enzyme intermediate structure. PMID:26057678

  3. Theoretical insights on the catalytic activity and mechanism for oxygen reduction reaction at Fe and P codoped graphene.

    Science.gov (United States)

    He, Feng; Li, Kai; Xie, Guangyou; Wang, Ying; Jiao, Menggai; Tang, Hao; Wu, Zhijian

    2016-05-14

    The non-precious metal graphene catalyst doped with Fe-Px are recently proposed as a promising candidate in substituting Pt for catalyzing oxygen reduction reaction (ORR) in fuel cells. Systematic DFT calculations are performed to investigate the catalytic activity and the ORR mechanism on the Fe-Px (x = 1-4) system in acid medium in this work. Our results indicated that the configuration with one Fe and two P atoms codoped at zigzag edge site (Fe-P2-zig-G) is the most stable, in excellent agreement with the experimental observation that the ratio of Fe and P is nearly 1 : 2. The four-electron reduction mechanism for ORR on the Fe-P2-zig-G is via the competing OOH hydrogenation pathways (to form either OH + OH or O + H2O). The rate determining step is the O2 hydrogenation with an energy barrier of 0.43 eV, much smaller that of calculated 0.80 eV for pure Pt. In addition, the highest energy barrier of the studied ORR mechanism is the O2 dissociation with an energy barrier of 0.70 eV, a value also smaller than that of pure Pt. This demonstrated that the zigzag edge site of the Fe-P2 codoped graphene should be active for the ORR. PMID:27094325

  4. Quantum Gravity and a Time Operator in Relativistic Quantum Mechanics

    CERN Document Server

    Bauer, M

    2016-01-01

    The problem of time in the quantization of gravity arises from the fact that time in Schroedinger's equation is a parameter. This sets time apart from the spatial coordinates, represented by operators in quantum mechanics (QM). Thus "time" in QM and "time" in General Relativity (GR) are seen as mutually incompatible notions. The introduction of a dy- namical time operator in relativistic quantum mechanics (RQM), that in the Heisenberg representation is also a function of the parameter t (iden- tifed as the laboratory time), prompts to examine whether it can help to solve the disfunction referred to above. In particular, its application to the conditional interpretation of the canonical quantization approach toquantum gravity is developed. 1

  5. New Insight into the Catalytic Mechanism of Bacterial MraY from Enzyme Kinetics and Docking Studies.

    Science.gov (United States)

    Liu, Yao; Rodrigues, João P G L M; Bonvin, Alexandre M J J; Zaal, Esther A; Berkers, Celia R; Heger, Michal; Gawarecka, Katarzyna; Swiezewska, Ewa; Breukink, Eefjan; Egmond, Maarten R

    2016-07-15

    Phospho-MurNAc-pentapeptide translocase (MraY) catalyzes the synthesis of Lipid I, a bacterial peptidoglycan precursor. As such, MraY is essential for bacterial survival and therefore is an ideal target for developing novel antibiotics. However, the understanding of its catalytic mechanism, despite the recently determined crystal structure, remains limited. In the present study, the kinetic properties of Bacillus subtilis MraY (BsMraY) were investigated by fluorescence enhancement using dansylated UDP-MurNAc-pentapeptide and heptaprenyl phosphate (C35-P, short-chain homolog of undecaprenyl phosphate, the endogenous substrate of MraY) as second substrate. Varying the concentrations of both of these substrates and fitting the kinetics data to two-substrate models showed that the concomitant binding of both UDP-MurNAc-pentapeptide-DNS and C35-P to the enzyme is required before the release of the two products, Lipid I and UMP. We built a model of BsMraY and performed docking studies with the substrate C35-P to further deepen our understanding of how MraY accommodates this lipid substrate. Based on these modeling studies, a novel catalytic role was put forward for a fully conserved histidine residue in MraY (His-289 in BsMraY), which has been experimentally confirmed to be essential for MraY activity. Using the current model of BsMraY, we propose that a small conformational change is necessary to relocate the His-289 residue, such that the translocase reaction can proceed via a nucleophilic attack of the phosphate moiety of C35-P on bound UDP-MurNAc-pentapeptide. PMID:27226570

  6. Overcoming misconceptions in quantum mechanics with the time evolution operator

    International Nuclear Information System (INIS)

    Recently, there have been many efforts to use the research techniques developed in the field of physics education research to improve the teaching and learning of quantum mechanics. In particular, part of this research is focusing on misconceptions held by students. For instance, a set of misconceptions is associated with the concept of stationary states. In this paper, we argue that a possible way to remove these is to solve the Schroedinger equation using the evolution operator method (EOM), and stress the fact that to find stationary states is only the first step in solving that equation. The EOM consists in solving the Schroedinger equation by direct integration, i.e. Ψ(x, t) = U(t)Ψ(x, 0), where U(t)=e-itH-hat/h is the time evolution operator, and Ψ(x, 0) is the initial state. We apply the evolution operator method in the case of the harmonic oscillator

  7. Mechanism of catalytic action of oxide systems in reactions of aldehyde oxidation to carboxylic acids

    International Nuclear Information System (INIS)

    Mechanism of selective action of oxide catalysts (on the base of V2O4, MoO3) of aldehyde oxidation to acids is considered, reaction acrolein oxidation to acrylic acid is taken as an example. Multistage mechanism of the process is established; it involves consequent transformation of coordination-bonded aldehyde into carbonyl-bonded aldehyde and symmetric carboxylate. Principles of active surface construction are formulated, they take into account the activity of stabilization center of concrete intermediate compound and bond energy of oxygen with surface. (author)

  8. Operational Mechanism and Evaluation System for Emergency Logistics Risks

    Directory of Open Access Journals (Sweden)

    Qi Cheng

    2010-12-01

    Full Text Available Lots of risks existed in the operating process of emergency logistics especially when natural disasters happened. Both operating mechanism and evaluation system research on Emergency Logistics Risks (ELR are the basis of effective recognizing, preventing and responding to risks, so it’s of great theoretical and practical significance to study the formation and influence mechanism and to establish an evaluating index system for ELR. Firstly, some foundation research about ELR was carried out, including definition, characteristics and classification of ELR. The formation and influence mechanism of ELR were discussed. The research of questionnaire survey offered an objective support for theoretical mechanism and index system establishment. Then, the evaluating index system for ELR was established. This system was a multi-level index system, and mainly evaluated by the decision-making risk, dispatching and commanding risk, organizing and coordinating risk, executing and controlling risk, resources supporting risk and their sub index. The establishment principles and significance of the index system were discussed. Then, the fuzzy comprehensive evaluation and Delphi method were used to confirm the index weight and value. Finally, a case analysis on ELR of Yushu earthquake was conducted to demonstrate the evaluating index system and to evaluate the actual risk level.

  9. Mechanisms for catalytic carbon nanofiber growth studied by ab initio density functional theory calculations

    DEFF Research Database (Denmark)

    Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Rostrup-Nielsen, Jens;

    2006-01-01

    Mechanisms and energetics of graphene growth catalyzed by nickel nanoclusters were studied using ab initio density functional theory calculations. It is demonstrated that nickel step-edge sites act as the preferential growth centers for graphene layers on the nickel surface. Carbon is transported...

  10. Mechanism of influence of phosphorylation on serine 124 on a decrease of catalytic activity of human thymidylate synthase.

    Science.gov (United States)

    Jarmuła, Adam; Fraczyk, Tomasz; Cieplak, Piotr; Rode, Wojciech

    2010-05-15

    Regulation by phosphorylation is a well-established mechanism for controlling biological activity of proteins. Recently, phosphorylation of serine 124 in human thymidylate synthase (hTS) has been shown to lower the catalytic activity of the enzyme. To clarify a possible mechanism of the observed influence, molecular dynamics (MD), essential dynamics (ED) and MM-GBSA studies were undertaken. Structures derived from the MD trajectories reveal incorrect binding alignment between the pyrimidine ring of the substrate, dUMP, and the pterine ring of the cofactor analogue, THF, in the active site of the phosphorylated enzyme. The ED analysis indicates changes in the behavior of collective motions in the phosphorylated enzyme, suggesting that the formation of the closed ternary complex is hindered. Computed free energies, in agreement with structural analysis, predict that the binding of dUMP and THF to hTS is favored in the native compared to phosphorylated state of the enzyme. The paper describes at the structural level how phosphorylation at the distant site influences the ligand binding. We propose that the 'phosphorylation effect' is transmitted from the outside loop of Ser 124 into the active site via a subtle mechanism initiated by the long-range electrostatic repulsion between the phosphate groups of dUMP and Ser124. The mechanism can be described in terms of the interplay between the two groups of amino acids: the link (residues 125-134) and the patch (residues 189-192), resulting in the change of orientation of the pyrimidine ring of dUMP, which, in turn, prevents the correct alignment between the latter ring and the pterin ring of THF. PMID:20430630

  11. Catalytic Mechanism of RNA Backbone Cleavage by Ribonuclease H from QM/MM Simulations

    Science.gov (United States)

    Rosta, Edina; Nowotny, Marcin; Yang, Wei; Hummer, Gerhard

    2011-01-01

    We use quantum mechanics/molecular mechanics (QM/MM) simulations to study the cleavage of the ribonucleic acid (RNA) backbone catalyzed by ribonuclease H. This protein is a prototypical member of a large family of enzymes that use two-metal catalysis to process nucleic acids. By combining Hamiltonian replica exchange with a finite-temperature string method, we calculate the free energy surface underlying the RNA cleavage reaction and characterize its mechanism. We find that the reaction proceeds in two steps. In a first step, catalyzed primarily by magnesium ion A and its ligands, a water molecule attacks the scissile phosphate. Consistent with thiol-substitution experiments, a water proton is transferred to the downstream phosphate group. The transient phosphorane formed as a result of this nucleophilic attack decays by breaking the bond between the phosphate and the ribose oxygen. In the resulting intermediate, the dissociated but unprotonated leaving group forms an alkoxide coordinated to magnesium ion B. In a second step, the reaction is completed by protonation of the leaving group, with a neutral Asp132 as a likely proton donor. The overall reaction barrier of ~15 kcal mol−1, encountered in the first step, together with the cost of protonating Asp132, is consistent with the slow measured rate of ~1–100/min. The two-step mechanism is also consistent with the bell-shaped pH dependence of the reaction rate. The non-monotonic relative motion of the magnesium ions along the reaction pathway agrees with X-ray crystal structures. Proton transfer reactions and changes in the metal ion coordination emerge as central factors in the RNA cleavage reaction. PMID:21539371

  12. 40 CFR Table 9 to Subpart Uuu of... - Operating Limits for Organic HAP Emissions From Catalytic Cracking Units

    Science.gov (United States)

    2010-07-01

    ... . . . 1. Subject to the NSPS for carbon monoxide (CO) in 40 CFR 60.103 Continuous emission monitoring system. Not applicable Not applicable. 2. Not subject to the NSPS for CO in 40 CFR 60.103 a. Continuous... Emissions From Catalytic Cracking Units 9 Table 9 to Subpart UUU of Part 63 Protection of...

  13. Operators and representation theory canonical models for algebras of operators arising in quantum mechanics

    CERN Document Server

    Jorgensen, PET

    1987-01-01

    Historically, operator theory and representation theory both originated with the advent of quantum mechanics. The interplay between the subjects has been and still is active in a variety of areas.This volume focuses on representations of the universal enveloping algebra, covariant representations in general, and infinite-dimensional Lie algebras in particular. It also provides new applications of recent results on integrability of finite-dimensional Lie algebras. As a central theme, it is shown that a number of recent developments in operator algebras may be handled in a particularly e

  14. Quantum mechanics 1. Path-integral formulation and operator formalism

    International Nuclear Information System (INIS)

    The first volume of this two-volume textbook gives a modern introduction to the quantum theory, which connects Feynman's path-integral formulation with the traditional operator formalism. In easily understandable form starting from the double-slit experiment the characteristic features and foundations of quantum theory are made accessible by means of the functional-integral approach. Just this approach makes a ''derivation'' of the Schroedinger equation from the principle of the interfering alternatives possible. In the following the author developes the traditional operator formulation of quantum mechanics, which is better suited for practical solution of elementary problems. However he then refers to the functional-integral approach, when this contributes to a better understanding. A further advance of this concept: The functional-integral approach facilitates essentially the later access to quantum field theory. The work is in like manner suited for the self-study as for the deepening accompanying of the course.

  15. The mechanism of catalytic methylation of 2-phenylpyridine using di-tert-butyl peroxide.

    Science.gov (United States)

    Sharma, Akhilesh K; Roy, Dipankar; Sunoj, Raghavan B

    2014-07-14

    The mechanism of palladium chloride-catalyzed direct methylation of arenes with peroxides is elucidated by using the energetics computed at the M06 density functional theory. The introduction of a methyl group by tert-butyl peroxides at the ortho-position of a prototypical 2-phenyl pyridine, a commonly used substrate in directed C-H functionalization reactions, is examined in detail by identifying the key intermediates and transition states involved in the reaction sequence. Different possibilities that differ in terms of the site of catalyst coordination with the substrate and the ensuing mechanism are presented. The important mechanistic events involved are (a) an oxidative or a homolytic cleavage of the peroxide O-O bond, (b) C-H bond activation, (c) C-C bond activation, and (d) reductive elimination involving methyl transfer to the aromatic ring. We have examined both radical and non-radical pathways. In the non-radical pathway, the lowest energy pathway involves C-H bond activation prior to the coordination of the peroxide to palladium, which is subsequently followed by the O-O bond cleavage of the peroxide and the C-C bond activation. Reductive elimination in the resulting intermediate leads to the vital C-C bond formation between methyl and aryl carbon atoms. In the non-radical pathway, the C-C bond activation is higher in energy and has been identified as the rate-limiting step of this reaction. In the radical pathway, however, the activation barrier for the C-C bond cleavage is lower than for the peroxide O-O bond cleavage. A combination of a radical pathway up to the formation of a palladium methyl intermediate and a subsequent non-radical pathway has been identified as the most favored pathway for the title reaction. The predicted mechanism is in good agreement with the experimental observations on PdCl2 catalyzed methylation of 2-phenyl pyridine using tert-butyl peroxide. PMID:24875675

  16. Cloning, functional characterization and catalytic mechanism of a bergaptol O-methyltransferase from Peucedanum praeruptorum Dunn

    Directory of Open Access Journals (Sweden)

    Yucheng eZhao

    2016-05-01

    Full Text Available Coumarins are main active components of Peucedanum praeruptorum Dunn. Among them, methoxylated coumarin compound, such as bergapten, xanthotoxin and isopimpinellin, has high officinal value and plays an important role in medicinal field. However, major issues associated with the biosynthesis mechanism of coumarins remain unsolved and no corresponding enzyme has been cloned from P. praeruptorum. In this study, a local BLASTN program was conducted to find the candidate genes from P. praeruptorum transcriptome database using the nucleotide sequence of Ammi majus bergaptol O-methyltransferase (AmBMT, GenBank accession No: AY443006 as a template. As a result, a 1335 bp full-length of cDNA sequence which contains an open reading frame of 1080 bp encoding a BMT polypeptide of 359 amino acids was obtained. The recombinant protein was functionally expressed in Escherichia coli and displayed an observed activity to bergaptol. In vitro experiments show that the protein has narrow substrate specificity for bergaptol. Expression profile indicated that the cloned gene had a higher expression level in roots and can be induced by methyl jasmonate (MeJA. Subcellular localization analysis showed that the BMT protein was located in cytoplasm in planta. Homology modeling and docking based site-directed mutagenesis have been employed to investigate the amino acid residues in BMT required for substrate binding and catalysis. Conservative amino acid substitutions at residue H264 affected BMT catalysis, whereas substitutions at residues F171, M175, D226 and L312 affected substrate binding. The systemic study summarized here will enlarge our knowledge on OMTs and provide useful information in investigating the coumarins biosynthesis mechanism in P. praeruptorum.

  17. Cloning, Functional Characterization, and Catalytic Mechanism of a Bergaptol O-Methyltransferase from Peucedanum praeruptorum Dunn

    Science.gov (United States)

    Zhao, Yucheng; Wang, Nana; Zeng, Zhixiong; Xu, Sheng; Huang, Chuanlong; Wang, Wei; Liu, Tingting; Luo, Jun; Kong, Lingyi

    2016-01-01

    Coumarins are main active components of Peucedanum praeruptorum Dunn. Among them, methoxylated coumarin compound, such as bergapten, xanthotoxin, and isopimpinellin, has high officinal value and plays an important role in medicinal field. However, major issues associated with the biosynthesis mechanism of coumarins remain unsolved and no corresponding enzyme has been cloned from P. praeruptorum. In this study, a local BLASTN program was conducted to find the candidate genes from P. praeruptorum transcriptome database using the nucleotide sequence of Ammi majus bergaptol O-methyltransferase (AmBMT, GenBank accession No: AY443006) as a template. As a result, a 1335 bp full-length of cDNA sequence which contains an open reading frame of 1080 bp encoding a BMT polypeptide of 359 amino acids was obtained. The recombinant protein was functionally expressed in Escherichia coli and displayed an observed activity to bergaptol. In vitro experiments show that the protein has narrow substrate specificity for bergaptol. Expression profile indicated that the cloned gene had a higher expression level in roots and can be induced by methyl jasmonate (MeJA). Subcellular localization analysis showed that the BMT protein was located in cytoplasm in planta. Homology modeling and docking based site-directed mutagenesis have been employed to investigate the amino acid residues in BMT required for substrate binding and catalysis. Conservative amino acid substitutions at residue H264 affected BMT catalysis, whereas substitutions at residues F171, M175, D226, and L312 affected substrate binding. The systemic study summarized here will enlarge our knowledge on OMTs and provide useful information in investigating the coumarins biosynthesis mechanism in P. praeruptorum. PMID:27252733

  18. Structural and catalytic characterization of mechanical mixtures of Pt/WOx-ZrO2 and Al2O3

    International Nuclear Information System (INIS)

    The effect of the Bronsted/Lewis acid ratio on isomerization of n-heptane using Al2O3 as a source of Lewis acidity and WOx/ZrO2 as a source of Bronsted and Lewis acidity was studied and controlled using mechanical mixtures of these solids. These mixtures were characterized by surface area, infrared spectroscopy of pyridine, X-ray diffraction and Raman spectroscopy. It was found that the presence of W=O stretching mode which was consistent with the presence of oxotungstate species which were the precursors of the acid sites. It was found out that as the oxotungstate structures increased, the selectivity to n-heptane isomers increased while the hydrocracking and dehydrocyclization selectivity decreased. The presence of Bronsted acidity of the WOx/ZrO2 domains, the increase of Knudsen diffusivity and the loss of Pt metallic area by strong interaction of the Pt with the WOx/ZrO2 explain this catalytic behavior.

  19. Mechanism of propene poisoning on Fe-ZSM-5 for selective catalytic reduction of NO(x) with ammonia.

    Science.gov (United States)

    Li, Junhua; Zhu, Ronghai; Cheng, Yisun; Lambert, Christine K; Yang, Ralph T

    2010-03-01

    Application of Fe-zeolites for urea-SCR of NO(x) in diesel engine is limited by catalyst deactivation with hydrocarbons. In this work, we investigated the effect of propene on the activity of Fe-ZSM-5 for selective catalytic reduction of NO(x) with ammonia (NH(3)-SCR), and proposed a deactivation mechanism of Fe(3+) active site blockage by propene residue. The NO conversion decreased in the presence of propene at various temperatures, while the effect was not significant when NO was replaced by NO(2) in the feed, especially at low temperatures (<300 degrees C). The surface area and pore volume were decreased due to carbonaceous deposition. The site blockage was mainly on Fe(3+) sites on which NO was to be oxidized to NO(2). The activity for NO oxidation to NO(2) was significantly inhibited on a propene poisoned catalyst below 400 degrees C. The adsorption of NH(3) on the Bronsted acid sites to form NH(4)(+) was not hindered even on the propene poisoned catalyst, and the amount of absorbed NH(3) was still abundant and enough to react with NO(2) to generate N(2). The hydrocarbon oxygenates such as formate, acetate, and containing nitrogen organic compounds were observed on catalyst surface, however, no graphitic carbonaceous deposit was formed. PMID:20136123

  20. The regulation and catalytic mechanism of the NADP-malic enzyme from tobacco leaves

    Directory of Open Access Journals (Sweden)

    VERONIKA DOUBNEROVÁ

    2009-08-01

    Full Text Available The non-photosynthetic NADP-malic enzyme EC 1.1.1.40 (NADP-ME, which catalyzes the oxidative decarboxylation of L-malate and NADP+ to produce pyruvate and NADPH, respectively, and which could be involved in plant defense responses, was isolated from Nicotiana tabacum L. leaves. The mechanism of the enzyme reaction was studied by the initial rate method and was found to be an ordered sequential one. Regulation possibilities of purified cytosolic NADP-ME by cell metabolites were tested. Intermediates of the citric acid cycle (a-ketoglutarate, succinate, fumarate, metabolites of glycolysis (pyruvate, phosphoenolpyruvate, glucose-6-phosphate, compounds connected with lipogenesis (coenzyme A, acetyl-CoA, palmitoyl-CoA and some amino acids (glutamate, glutamine, aspartate did not significantly affect the NADP-ME activity from tobacco leaves. In contrast, macroergic compounds (GTP, ATP and ADP were strong inhibitors of NADP-ME; the type of inhibition and the inhibition constants were determined in the presence of the most effective cofactors (Mn2+ or Mg2+, required by NADP-ME. Predominantly non-competitive type of inhibitions of NADP-ME with respect to NADP+ and mixed type to L-malate were found.

  1. Structural aspects of catalytic mechanisms of endonucleases and their binding to nucleic acids

    Energy Technology Data Exchange (ETDEWEB)

    Zhukhlistova, N. E.; Balaev, V. V.; Lyashenko, A. V.; Lashkov, A. A., E-mail: alashkov83@gmail.com [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2012-05-15

    Endonucleases (EC 3.1) are enzymes of the hydrolase class that catalyze the hydrolytic cleavage of deoxyribonucleic and ribonucleic acids at any region of the polynucleotide chain. Endonucleases are widely used both in biotechnological processes and in veterinary medicine as antiviral agents. Medical applications of endonucleases in human cancer therapy hold promise. The results of X-ray diffraction studies of the spatial organization of endonucleases and their complexes and the mechanism of their action are analyzed and generalized. An analysis of the structural studies of this class of enzymes showed that the specific binding of enzymes to nucleic acids is characterized by interactions with nitrogen bases and the nucleotide backbone, whereas the nonspecific binding of enzymes is generally characterized by interactions only with the nucleic-acid backbone. It should be taken into account that the specificity can be modulated by metal ions and certain low-molecular-weight organic compounds. To test the hypotheses about specific and nonspecific nucleic-acid-binding proteins, it is necessary to perform additional studies of atomic-resolution three-dimensional structures of enzyme-nucleic-acid complexes by methods of structural biology.

  2. Dynamics and mechanisms of catalytic processes and hot chemistry. Final report, March 1, 1972-October 31, 1984

    International Nuclear Information System (INIS)

    General areas of research addressed are recoil chemistry of halogens, tritium, and sulfur, radiotracer methods for studies of chemical dynamics, thermal and photochemistry of sulfur dioxide, and photochemistry and photoassistance in catalytic systems

  3. Synthesis, crystallization mechanism, and catalytic properties of titanium-rich TS-1 free of extraframework titanium species.

    Science.gov (United States)

    Fan, Weibin; Duan, Ren-Guan; Yokoi, Toshiyuki; Wu, Peng; Kubota, Yoshihiro; Tatsumi, Takashi

    2008-08-01

    A new route to the synthesis of TS-1 has been developed using (NH4)2CO3 as a crystallization-mediating agent. In this way, the framework Ti content can be significantly increased without forming extraframework Ti species. The prepared catalyst had a Si/Ti ratio as low as 34 in contrast to the ratio of 58 achieved with the methods A and B established by the Enichem group (Clerici, M. G.; Bellussi, G.; Romano, U. J. Catal. 1991, 129, 159) and Thangaraj and Sivasanker (Thangaraj, A.; Sivasanker, S. J. Chem. Soc., Chem. Commun. 1992, 123), respectively. The material contained less defect sites than the samples synthesized by the other two methods. As a result, it showed much higher activity for the oxidation of various organic substrates, such as linear alkanes/alkenes and alcohols, styrene, and benzene. The crystallization mechanism of TS-1 in the presence of (NH4)2CO3 was studied by following the whole crystallization process with X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), thermogravimetry/differential thermal analysis (TG/DTA), inductively coupled plasma atomic emission spectrometry (ICP), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), diffuse reflectance UV-vis spectroscopy, and (29)Si MAS (magic-angle spinning) NMR spectroscopy techniques. It was shown that the presence of (NH4)2CO3 not only drastically lowered down pH, slowing down the crystallization process and making the incorporation of Ti into the framework match well with nucleation and crystal growth, but also modified the crystallization mechanism. It seems that the solid-phase transformation mechanism predominated in the crystallization process initiated by dissociation, reorganization, and recoalescence of the solidified gel although a small amount of nongelatinated Ti shifted to the solid during the crystal growth period. In contrast, a typical homogeneous nucleation mechanism occurred in the method A system. Thus, although in

  4. Effect of biomass ash in catalytic fast pyrolysis of pine wood

    NARCIS (Netherlands)

    Yildiz, G.; Ronsse, F.; Venderbosch, R.H.; Duren, van R.; Kersten, S.R.A.; Prins, W.

    2015-01-01

    Fast pyrolysis experiments of pine wood have been performed in a continuously operated mechanically stirred bed reactor at 500 °C. The effects of the pine wood ash were studied by comparing non-catalytic and catalytic experiments (using a ZSM-5 based catalyst) with their ash-added counterparts. To s

  5. Memory operation mechanism of fullerene-containing polymer memory

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Anri, E-mail: anakajima@hiroshima-u.ac.jp; Fujii, Daiki [Research Institute for Nanodevice and Bio Systems, Hiroshima University, 1-4-2 Kagamiyama, Higashihiroshima, Hiroshima 739-8527 (Japan)

    2015-03-09

    The memory operation mechanism in fullerene-containing nanocomposite gate insulators was investigated while varying the kind of fullerene in a polymer gate insulator. It was cleared what kind of traps and which positions in the nanocomposite the injected electrons or holes are stored in. The reason for the difference in the easiness of programming was clarified taking the role of the charging energy of an injected electron into account. The dependence of the carrier dynamics on the kind of fullerene molecule was investigated. A nonuniform distribution of injected carriers occurred after application of a large magnitude programming voltage due to the width distribution of the polystyrene barrier between adjacent fullerene molecules. Through the investigations, we demonstrated a nanocomposite gate with fullerene molecules having excellent retention characteristics and a programming capability. This will lead to the realization of practical organic memories with fullerene-containing polymer nanocomposites.

  6. THEORETICAL CONSIDERATIONS REGARDING THE AUTOMATIC FISCAL STABILIZERS OPERATING MECHANISM

    Directory of Open Access Journals (Sweden)

    Gondor Mihaela

    2012-07-01

    Full Text Available This paper examines the role of Automatic Fiscal Stabilizers (AFS for stabilizing the cyclical fluctuations of macroeconomic output as an alternative to discretionary fiscal policy, admitting its huge potential of being an anti crisis solution. The objectives of the study are the identification of the general features of the concept of automatic fiscal stabilizers and the logical assessment of them from economic perspectives. Based on the literature in the field, this paper points out the disadvantages of fiscal discretionary policy and argue the need of using Automatic Fiscal Stabilizers in order to provide a faster decision making process, shielded from political interference, and reduced uncertainty for households and business environment. The paper conclude about the need of using fiscal policy for smoothing the economic cycle, but in a way which includes among its features transparency, responsibility and clear operating mechanisms. Based on the research results the present paper assumes that pro-cyclicality reduces de effectiveness of the Automatic Fiscal Stabilizer and as a result concludes that it is very important to avoid the pro-cyclicality in fiscal rule design. Moreover, by committing in advance to specific fiscal policy action contingent on economic developments, uncertainty about the fiscal policy framework during a recession should be reduced. Being based on logical analysis and not focused on empirical, contextualized one, the paper presents some features of AFS operating mechanism and also identifies and systematizes the factors which provide its importance and national individuality. Reaching common understanding on the Automatic Fiscal Stabilizer concept as a institutional device for smoothing the gap of the economic cycles across different countries, particularly for the European Union Member States, will facilitate efforts to coordinate fiscal policy responses during a crisis, especially in the context of the fiscal

  7. Mechanisms of Extending Operation Regionin the HL-1M Tokamak

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Stable operating region in the HL-1M tokamak has been extended by means ofwall conditioning, core fuelling and current control techniques. The mechanisms of the extensionare analyzed in this paper. Lithiumization diminishes the impurities and hydrogen recycling tothe lowest level. After lithiumization a high density up to 7×1019 m-3 was obtained easily bystrong gas puffing with ordinary ohmic discharge alone. More attractively we found that metalLi-coating exhibited the effects of wall stabilization. The low qa limit with higher density wasextended by a factor of 1.5~2 in comparison with that for boronization, and 1.2 for siliconization.Siliconization not only extended stable operating region significantly by itself, but also provideda good target plasma for other experiments of raising density limit. Core fuelling schemes arefavourable especially for siliconized wall with a higher level of medium-Z impurity (Z=14).After siliconization the maximum density near to 1020 m-3 was achieved by a combination ofsupersonic molecule beam injection and multipellet injection. The new defined slope of Hugilllimit illustrating more clearly the situation under low qa and high ne discharges was created toindicate the new region extended by combining Ip ramp-up with core fuelling. The slope with alarge Murakami coefficient increased by a factor of 50~60 %.

  8. Impact of selective catalytic reduction systems on the operation of coal and oil fired boilers and downstream equipment

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-07-01

    The history of the development of selective catalytic reduction (SCR) technology has clearly demonstrated that whenever the technology arrives in a new region of the world new challenges are met. This paper discusses some of these historical challenges and their particular solutions in some detail. The paper shows that the design of successful SCR systems is extremely site-specific, but that the technology continues to evolve to meet these continuously changing demands. Most recently the increased power of CFD technology has enabled SCR to meet the more stringent North American emissions criteria through optimal fluid dynamic design. 4 figs.

  9. About the velocity operator for spinning particles in quantum mechanics

    International Nuclear Information System (INIS)

    Starting from the formal expressions of the hydrodynamical (or local) quantities employed in the applications of Clifford Algebras to quantum mechanics, we introduce - in terms of the ordinary tensorial framework - a new definition for the field of a generic quantity. By translating from Clifford into sensor algebra, we also propose a new (non-relativistic) velocity operator for a spin 1/2 particle. This operator is the sum of the ordinary part p/m describing the mean motion (the motion of the center-of-mass), and of a second part associated with the so-called Zitterbewegung, which is the spin internal motion observed in the center-of-mass frame. This spin component of the velocity operator is non-zero not only in the Pauli theoretical framework in presence of external magnetic fields and spin precession, but also in the Schroedinger case, when the wave-function is a spin eigenstate. In the latter case, one gets a decomposition of the velocity field for the Madelueng fluid into two distinct parts: which constitutes the non-relativistic analogue of the Gordon decomposition for the Dirac current. We find furthermore that the Zitterbewegung motion involves a velocity field which is solenoidal, and that the local angular velocity is parallel to the spin vector. In presence of a non-constant spin vector (Pauli case) we have, besides the component normal to spin present even in the Schroedinger theory, also a component of the local velocity which is parallel to the rotor of the spin vector. (author). 19 refs

  10. A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation

    International Nuclear Information System (INIS)

    A 1.9 Å resolution crystal structure of the isolated kinase domain from the α2 subunit of human AMPK, the first from a multicellular organism, is presented. The AMP-activated protein kinase (AMPK) is a highly conserved trimeric protein complex that is responsible for energy homeostasis in eukaryotic cells. Here, a 1.9 Å resolution crystal structure of the isolated kinase domain from the α2 subunit of human AMPK, the first from a multicellular organism, is presented. This human form adopts a catalytically inactive state with distorted ATP-binding and substrate-binding sites. The ATP site is affected by changes in the base of the activation loop, which has moved into an inhibited DFG-out conformation. The substrate-binding site is disturbed by changes within the AMPKα2 catalytic loop that further distort the enzyme from a catalytically active form. Similar structural rearrangements have been observed in a yeast AMPK homologue in response to the binding of its auto-inhibitory domain; restructuring of the kinase catalytic loop is therefore a conserved feature of the AMPK protein family and is likely to represent an inhibitory mechanism that is utilized during function

  11. Operating experience with the Harwell thermo-mechanical generators

    International Nuclear Information System (INIS)

    The Stirling-cycle thermo-mechanical generator (TMG) provides small amounts of electrical power continuously over long periods, while requiring much less fuel than other power sources running from hydrocarbon fuel or radio-isotopes. Two of these 25-watt generators, fuelled by propane, have been used to power the UK National Buoy on two successive missions. A total of more than three years experience at sea has now been accumulated. In addition, a 60-watt version has provided the power for a major lighthouse for more than a year. An early development version of the Thermo-mechanical Generator, adapted to run from the heat of a radio-isotope source, was loaded with strontium 90 titanate in October 1974 and has run continuously in the laboratory ever since. The improvements and changes found necessary in the course of 90,000 generator-hours of running time are described, and the improvements in operational performance and reliability which have resulted are outlined. (author)

  12. Catalytic Mechanism of the Oxidative Demethylation of 4-(Methoxymethyl)phenol by Vanillyl-Alcohol Oxidase. Evidence for Formation of a p-Quinone Methide Intermediate

    OpenAIRE

    Fraaije, Marco W.; van Berkel, Willem J H

    1997-01-01

    The catalytic mechanism for the oxidative demethylation of 4-(methoxymethyl)phenol by the covalent flavoprotein vanillyl-alcohol oxidase was studied. Using H218O, it was found that the carbonylic oxygen atom from the product 4-hydroxybenzaldehyde originates from a water molecule. Oxidation of vanillyl alcohol did not result in any incorporation of 18O. Enzyme-monitored turnover experiments revealed that for both substrates a process involving flavin reduction is rate determining. During anaer...

  13. Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Thoden, James B.; Reinhardt, Laurie A.; Cook, Paul D.; Menden, Patrick; Cleland, W.W.; Holden, Hazel M. (UW); (Mount Union); (UW-MED)

    2012-09-17

    N-Acetylperosamine is an unusual dideoxysugar found in the O-antigens of some Gram-negative bacteria, including the pathogenic Escherichia coli strain O157:H7. The last step in its biosynthesis is catalyzed by PerB, an N-acetyltransferase belonging to the left-handed {beta}-helix superfamily of proteins. Here we describe a combined structural and functional investigation of PerB from Caulobacter crescentus. For this study, three structures were determined to 1.0 {angstrom} resolution or better: the enzyme in complex with CoA and GDP-perosamine, the protein with bound CoA and GDP-N-acetylperosamine, and the enzyme containing a tetrahedral transition state mimic bound in the active site. Each subunit of the trimeric enzyme folds into two distinct regions. The N-terminal domain is globular and dominated by a six-stranded mainly parallel {beta}-sheet. It provides most of the interactions between the protein and GDP-perosamine. The C-terminal domain consists of a left-handed {beta}-helix, which has nearly seven turns. This region provides the scaffold for CoA binding. On the basis of these high-resolution structures, site-directed mutant proteins were constructed to test the roles of His 141 and Asp 142 in the catalytic mechanism. Kinetic data and pH-rate profiles are indicative of His 141 serving as a general base. In addition, the backbone amide group of Gly 159 provides an oxyanion hole for stabilization of the tetrahedral transition state. The pH-rate profiles are also consistent with the GDP-linked amino sugar substrate entering the active site in its unprotonated form. Finally, for this investigation, we show that PerB can accept GDP-3-deoxyperosamine as an alternative substrate, thus representing the production of a novel trideoxysugar.

  14. 40 CFR 60.105a - Monitoring of emissions and operations for fluid catalytic cracking units (FCCU) and fluid coking...

    Science.gov (United States)

    2010-07-01

    ... operator shall use CPMS to measure and record the hourly average total power input and secondary voltage to... or operator shall determine and record the average coke burn-off rate and hours of operation for each... CO CEMS need not be installed if the owner or operator demonstrates that all hourly average...

  15. Vector Operators and Spherical Harmonics in Quantum Mechanics.

    Science.gov (United States)

    Andrews, M.

    1979-01-01

    Shows that the basic properties of spherical harmonics follow in a simple and elegant way from the commutation relations for angular momentum operators and the commutation relations between these operators and arbitrary vector operators. (Author/HM)

  16. Mechanical optimization of superconducting cavities in continuous wave operation

    Science.gov (United States)

    Posen, Sam; Liepe, Matthias

    2012-02-01

    Several planned accelerator facilities call for hundreds of elliptical cavities operating cw with low effective beam loading, and therefore require cavities that have been mechanically optimized to operate at high QL by minimizing df/dp, the sensitivity to microphonics detuning from fluctuations in helium pressure. Without such an optimization, the facilities would suffer either power costs driven up by millions of dollars or an extremely high per-cavity trip rate. ANSYS simulations used to predict df/dp are presented as well as a model that illustrates factors that contribute to this parameter in elliptical cavities. For the Cornell Energy Recovery Linac (ERL) main linac cavity, df/dp is found to range from 2.5 to 17.4Hz/mbar, depending on the radius of the stiffening rings, with minimal df/dp for very small or very large radii. For the Cornell ERL injector cavity, simulations predict a df/dp of 124Hz/mbar, which fits well within the range of measurements performed with the injector cryomodule. Several methods for reducing df/dp are proposed, including decreasing the diameter of the tuner bellows and increasing the stiffness of the enddishes and the tuner. Using measurements from a Tesla Test Facility cavity as the baseline, if both of these measures were implemented and the stiffening rings were optimized, simulations indicate that df/dp would be reduced from ˜30Hz/mbar to just 2.9Hz/mbar, and the power required to maintain the accelerating field would be reduced by an order of magnitude. Finally, other consequences of optimizing the stiffening ring radius are investigated. It is found that stiffening rings larger than 70% of the iris-equator distance make the cavity impossible to tune. Small rings, on the other hand, leave the cavity susceptible to plastic deformation during handling and have lower frequency mechanical resonances, which is undesirable for active compensation of microphonics. Additional simulations of Lorentz force detuning are discussed, and

  17. Hydrothermal processing of fermentation residues in a continuous multistage rig – Operational challenges for liquefaction, salt separation, and catalytic gasification

    International Nuclear Information System (INIS)

    Fermentation residues are a waste stream of biomethane production containing substantial amounts of organic matter, and thus representing a primary energy source which is mostly unused. For the first time this feedstock was tested for catalytic gasification in supercritical water (T ≥ 374 °C, p ≥ 22 MPa) for methane production. The processing steps include hydrothermal liquefaction, salt separation, as well as catalytic gasification over a ruthenium catalyst in supercritical water. In continuous experiments at a feed rate of 1 kg h−1 a partial liquefaction and carbonization of some of the solids was observed. Significant amounts of heavy tars were formed. Around 50% of the feed carbon remained in the rig. Furthermore, a homogeneous coke was formed, presumably originating from condensed tars. The mineralization of sulfur and its separation in the salt separator was insufficient, because most of the sulfur was still organically bound after liquefaction. Desalination was observed at a salt separator set point temperature of 450 °C and 28 MPa; however, some of the salts could not be withdrawn as a concentrated brine. At 430 °C no salt separation took place. Higher temperatures in the salt separator were found to promote tar and coke formation, resulting in conflicting process requirements for efficient biomass liquefaction and desalination. In the salt separator effluent, solid crystals identified as struvite (magnesium ammonium phosphate) were found. This is the first report of struvite formation from a supercritical water biomass conversion process and represents an important finding for producing a fertilizer from the separated salt brine. - Highlights: • Continuous processing of fermentation residues in sub- and supercritical water. • Continuous separation of salt brines at supercritical water conditions. • Struvite crystals (magnesium ammonium phosphate) were recovered from the effluent. • Separation of sulfur from the biomass could not

  18. The performance and operating mechanism of the ultrasonic scrubber

    Science.gov (United States)

    Saylor, J. R.; Ran, W.

    2014-11-01

    An ultrasonic standing wave field is commonly used to levitate drops, facilitating drop studies in several ways. In the typical use of such a standing wave field, drops are simply placed at the node of the field and thereby levitated. However, it is also true that any particles or drops located in the general vicinity of the nodes of an ultrasonic standing wave are drawn toward the nodes where they accrue. We have shown that this effect can be used to create an ``ultrasonic scrubber'', wherein the combination of a fine water mist and an ultrasonic standing wave field is used to remove particles (e.g. particulate pollutants) from a gas flow directed at the field (Ran, Saylor, & Holt, J. Aerosol Sci., 67, 104 (2014)). In this talk details are presented of the operating mechanism responsible for the success of this approach to scrubbing. The results of an experimental study are also presented showing the effect of the gas flow rate and droplet size distribution on the scavenging coefficient for one version of the ultrasonic scrubber. Support from NSF is gratefully acknowledged.

  19. Facile synthesis of clean Pt nanoparticles supported on reduced graphene oxide composites: Their growth mechanism and tuning of their methanol electro-catalytic oxidation property

    International Nuclear Information System (INIS)

    A facile hydrothermal method has been proposed to prepare reduced graphene oxide (RGO) and enhance its reducing ability. For the first time, the spontaneous redox reaction between PtCl42− and RGO has been reported and no additional reductants or surfactants were needed. X-ray photoelectron spectroscopy and transmission electron microscope images were used to characterize the synthesized Pt nanoparticles supported on RGO sheet (PtNPs/RGO) composites. The reaction mechanism has been investigated by changing the medium pH of the reaction. We further proved that the electro-catalytic property of PtNPs/RGO could be tuned and, because of the clean, well-dispersed PtNPs and the synergistic effect between the PtNPs and RGO, the PtNPs/RGO expressed higher electro-catalytic activity and better tolerance for methanol oxidization than a commercial Pt/C catalyst

  20. Efficient Catalytic Ozonation over Reduced Graphene Oxide for p-Hydroxylbenzoic Acid (PHBA) Destruction: Active Site and Mechanism.

    Science.gov (United States)

    Wang, Yuxian; Xie, Yongbing; Sun, Hongqi; Xiao, Jiadong; Cao, Hongbin; Wang, Shaobin

    2016-04-20

    Nanocarbons have been demonstrated as promising environmentally benign catalysts for advanced oxidation processes (AOPs) upgrading metal-based materials. In this study, reduced graphene oxide (rGO) with a low level of structural defects was synthesized via a scalable method for catalytic ozonation of p-hydroxylbenzoic acid (PHBA). Metal-free rGO materials were found to exhibit a superior activity in activating ozone for catalytic oxidation of organic phenolics. The electron-rich carbonyl groups were identified as the active sites for the catalytic reaction. Electron spin resonance (ESR) and radical competition tests revealed that superoxide radical ((•)O2(-)) and singlet oxygen ((1)O2) were the reactive oxygen species (ROS) for PHBA degradation. The intermediates and the degradation pathways were illustrated from mass spectroscopy. It was interesting to observe that addition of NaCl could enhance both ozonation and catalytic ozonation efficiencies and make ·O2(-) as the dominant ROS. Stability of the catalysts was also evaluated by the successive tests. Loss of specific surface area and changes in the surface chemistry were suggested to be responsible for catalyst deactivation. PMID:27007603

  1. Details in the catalytic mechanism of mammalian thioredoxin reductase 1 revealed using point mutations and juglone-coupled enzyme activities.

    Science.gov (United States)

    Xu, Jianqiang; Cheng, Qing; Arnér, Elias S J

    2016-05-01

    The mammalian selenoprotein thioredoxin reductase 1 (TrxR1) is a key enzyme in redox regulation, antioxidant defense, and cellular growth. TrxR1 can catalyze efficient reduction of juglone (5-hydroxy-1,4-naphthoquinone; walnut toxin) in a reaction which, in contrast to reduction of most other substrates of TrxR1, is not dependent upon an intact selenocysteine (Sec, U) residue of the enzyme. Using a number of TrxR1 mutant variants, we here found that a sole Cys residue at the C-terminal tail of TrxR1 is required for high-efficiency juglone-coupled NADPH oxidase activity of Sec-deficient enzyme, occurring with mixed one- and two-electron reactions producing superoxide. The activity also utilizes the FAD and the N-terminal redox active disulfide/dithiol motif of TrxR1. If a sole Cys residue at the C-terminal tail of TrxR1, in the absence of Sec, was moved further towards the C-terminal end of the protein compared to its natural position at residue 497, juglone reduction was, surprisingly, further increased. Ala substitutions of Trp407, Asn418 and Asn419 in a previously described "guiding bar", thought to mediate interactions of the C-terminal tail of TrxR1 with the FAD/dithiol site at the N-terminal domain of the other subunit in the dimeric enzyme, lowered turnover with juglone about 4.5-fold. Four residues of Sec-deficient TrxR1 were found to be easily arylated by juglone, including the Cys residue at position 497. Based upon our observations we suggest a model for involvement of the juglone-arylated C-terminal motif of TrxR1 to explain its high activity with juglone. This study thus provides novel insights into the catalytic mechanisms of TrxR1. One-electron juglone reduction by TrxR1 producing superoxide should furthermore contribute to the well-known prooxidant cytotoxicity of juglone. PMID:26898501

  2. Sequence analysis and structure prediction of type II Pseudomonas sp. USM 4–55 PHA synthase and an insight into its catalytic mechanism

    Directory of Open Access Journals (Sweden)

    Ahmad Khairudin Nurul

    2006-11-01

    Full Text Available Abstract Background Polyhydroxyalkanoates (PHA, are biodegradable polyesters derived from many microorganisms such as the pseudomonads. These polyesters are in great demand especially in the packaging industries, the medical line as well as the paint industries. The enzyme responsible in catalyzing the formation of PHA is PHA synthase. Due to the limited structural information, its functional properties including catalysis are lacking. Therefore, this study seeks to investigate the structural properties as well as its catalytic mechanism by predicting the three-dimensional (3D model of the Type II Pseudomonas sp. USM 4–55 PHA synthase 1 (PhaC1P.sp USM 4–55. Results Sequence analysis demonstrated that PhaC1P.sp USM 4–55 lacked similarity with all known structures in databases. PSI-BLAST and HMM Superfamily analyses demonstrated that this enzyme belongs to the alpha/beta hydrolase fold family. Threading approach revealed that the most suitable template to use was the human gastric lipase (PDB ID: 1HLG. The superimposition of the predicted PhaC1P.sp USM 4–55 model with 1HLG covering 86.2% of the backbone atoms showed an RMSD of 1.15 Å. The catalytic residues comprising of Cys296, Asp451 and His479 were found to be conserved and located adjacent to each other. In addition to this, an extension to the catalytic mechanism was also proposed whereby two tetrahedral intermediates were believed to form during the PHA biosynthesis. These transition state intermediates were further postulated to be stabilized by the formation of oxyanion holes. Based on the sequence analysis and the deduced model, Ser297 was postulated to contribute to the formation of the oxyanion hole. Conclusion The 3D model of the core region of PhaC1P.sp USM 4–55 from residue 267 to residue 484 was developed using computational techniques and the locations of the catalytic residues were identified. Results from this study for the first time highlighted Ser297 potentially

  3. Influence of monomer concentration during polymerization on performance and catalytic mechanism of resultant poly(3,4-ethylenedioxythiophene) counter electrodes for dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Graphical abstract: Display Omitted -- Highlights: •EDOT concentration has great impact on the properties of as-prepared PEDOT CEs. •PEDOT CE polymerized with low EDOT concentration shows better conductivity. •PEDOT polymerized with high EDOT concentration has more catalytic reaction centers. •Undoped EDOT units in PEDOT are key catalytic centers for I−/I3− redox reaction. •PEDOT CEs based DSSCs exhibit comparable power conversion efficiency to Pt CE. -- Abstract: Poly(3,4-ethylenedioxythiophene) (PEDOT) films doped by perchlorate ions (ClO4−) have been prepared via electropolymerization with different EDOT monomer concentration and used as counter electrodes (CEs) in dye-sensitized solar cells (DSSCs). The effect of EDOT monomer concentration on the properties of obtained PEDOT CEs has been thoroughly investigated. The sponge like porous microstructure of the PEDOT films breaks gradually with the increase of EDOT concentration. Meanwhile, the conductivity of the PEDOT CEs decreases gradually due to the decreased ClO4− doping level. The catalytic mechanism is mainly comprised of the formation of weakly bonded iodine species on the undoped EDOT units, and formation and reduction of the intermediates. The undoped EDOT units in the PEDOT chain are the key catalytic reaction centers for I−/I3− redox reaction. The catalytic activity of the PEDOT CEs for I−/I3− redox reaction increases with the increase of EDOT concentration by virtue of the increased catalytic reaction centers in the PEDOT chain (i.e., increased undoped EDOT units due to the decreased ClO4− doping level). DSSC based on PEDOT CE polymerized with 0.05 M of EDOT and 0.1 M of LiClO4 shows good photovoltaic performance, with a power conversion efficiency of 7.42%. This result is comparable to the Pt CE based-solar cell (7.41%), suggesting that PEDOT CEs may substitute the expensive Pt CEs in the DSSCs

  4. Mechanism for enhanced degradation of clofibric acid in aqueous by catalytic ozonation over MnO{sub x}/SBA-15

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Qiangqiang; Wang, Yu [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China); Li, Laisheng, E-mail: llsh@scnu.edu.cn [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China); Bing, Jishuai [Key Laboratory of Aquatic Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); Wang, Yingxin; Yan, Huihua [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China)

    2015-04-09

    Highlights: • Clofibric acid (CA) is efficiently mineralized by O{sub 3}/MnO{sub x}/SBA-15. • Adsorption of CA and its intermediates on MnO{sub x}/SBA-15 is proved unimportant. • Initiation of hydroxyl radicals (·OH) is enhanced in O{sub 3}/MnO{sub x}/SBA-15. • Uniformly distributed MnO{sub x} accounts for the high activity of MnO{sub x}/SBA-15. • Degradation routes of CA in ozonation alone and catalytic ozonation are proposed. - Abstract: Comparative experiments were conducted to investigate the catalytic ability of MnO{sub x}/SBA-15 for the ozonation of clofibric acid (CA) and its reaction mechanism. Compared with ozonation alone, the degradation of CA was barely enhanced, while the removal of TOC was significantly improved by catalytic ozonation (O{sub 3}/MnO{sub x}/SBA-15). Adsorption of CA and its intermediates by MnO{sub x}/SBA-15 was proved unimportant in O{sub 3}/MnO{sub x}/SBA-15 due to the insignificant adsorption of CA and little TOC variation after ceasing ozone in stopped-flow experiment. The more remarkably inhibition effect of sodium bisulfite (NaHSO{sub 3}) on the removal of TOC in catalytic ozonation than in ozonation alone elucidated that MnO{sub x}/SBA-15 facilitated the generation of hydroxyl radicals (·OH), which was further verified by electron spin-resonance spectroscopy (ESR). Highly dispersed MnO{sub x} on SBA-15 were believed to be the main active component in MnO{sub x}/SBA-15. Some intermediates were indentified and different degradation routes of CA were proposed in both ozonation alone and catalytic ozonation. The amounts of small molecular carboxylic acids (i.e., formic acid (FA), acetic acid (AA) and oxalic acid (OA)) generated in catalytic ozonation were lower than in ozonation alone, resulting from the generation of more ·OH.

  5. Mechanism of action of ferrocene derivatives on the catalytic activity of topoisomerase IIalpha and beta--distinct mode of action of two derivatives.

    Science.gov (United States)

    Sai Krishna, A D; Panda, Gayatri; Kondapi, Anand K

    2005-06-15

    Topoisomerase II is found to be present in two isoforms alpha and beta, and both the isoforms are regulated in cancerous tissue. Development of isoform-specific topoisomerase II poisons has been of great interest for cancer-specific drug targeting. In the present investigation using quantitative structure-activity analysis of ferrocene derivatives, we show that two derivatives of ferrocene, azalactone ferrocene and thiomorpholide amido methyl ferrocene, can preferentially inhibit topoisomerase IIbeta activity. Thiomorpholide amido methyl ferrocene shows higher inhibition of catalytic activity (IC(50) = 50 microM) against topoisomerase IIbeta compared to azalactone ferrocene (IC(50) = 100 microM). The analysis of protein DNA intermediates formed in the presence of these two compounds suggests that azalactone ferrocene readily induces formation of cleavable complex in a dose-dependent manner, in comparison with thiomorpholide amido methyl ferrocene. Both the compounds show significant inhibition of DNA-dependent ATPase activity of enzyme. These results suggest that azalactone ferrocene inhibits DNA passage activity of enzyme leading to the formation of cleavable complex, while thiomorpholide amido methyl ferrocene competes with ATP binding resulting in the inhibition of catalytic activity of enzyme. In summary, thiomorpholide amido methyl ferrocene and azalactone ferrocene show distinctly different mechanisms in inhibition of catalytic activity of topoisomerase IIbeta. PMID:15907782

  6. CATALYTIC COMBUSTION OF METHANE OVER Pt/γ-Al2O3 IN MICRO-COMBUSTOR WITH DETAILED CHEMICAL KINETIC MECHANISMS

    Directory of Open Access Journals (Sweden)

    JUNJIE CHEN

    2014-11-01

    Full Text Available Micro-scale catalytic combustion characteristics and heat transfer processes of preheated methane-air mixtures (φ = 0.4 in the plane channel were investigated numerically with detailed chemical kinetic mechanisms. The plane channel of length L = 10.0 mm, height H =1.0 mm and wall thickness δ = 0.1 mm, which inner horizontal surfaces contained Pt/γ-Al2O3 catalyst washcoat. The computational results indicate that the presence of the gas phase reactions extends mildly the micro-combustion stability limits at low and moderate inlet velocities due to the strong flames establishment, and have a more profound effect on extending the high-velocity blowout limits by allowing for additional heat release originating mainly from the incomplete CH4 gas phase oxidation in the plane channel. When the same mass flow rate (ρin × Vin is considered, the micro-combustion stability limits at p: 0.1 MPa are much narrower than at p: 0.6 MPa due to both gas phase and catalytic reaction activities decline with decreasing pressure. Catalytic micro-combustor can achieve stable combustion at low solid thermal conductivity ks < 0.1 W∙m-1•K-1, while the micro-combustion extinction limits reach their larger extent for the higher thermal conductivity ks = 20.0-100.0 W∙m-1•K-1. The existence of surface radiation heat transfers significantly effects on the micro-combustion stability limits and micro-combustors energy balance. Finally, gas phase combustion in catalytic micro-combustors can be sustained at the sub-millimeter scale (plane channel height of 0.25 mm.

  7. The Conservation of Structure and Mechanism of Catalytic Action in a Family of Thiamin Pyrophosphate (TPP)-dependent Enzymes

    Science.gov (United States)

    Dominiak, P.; Ciszak, Ewa

    2004-01-01

    Thiamin pyrophosphate (TPP)-dependent enzymes are a divergent family of TPP and metal ion binding proteins that perform a wide range of functions with the common decarboxylation steps of a -(O=)C-C(OH)- fragment of alpha-ketoacids and alpha- hydroxyaldehydes. To determine how structure and catalytic action are conserved in the context of large sequence differences existing within this family of enzymes, we have carried out an analysis of TPP-dependent enzymes of known structures. The common structure of TPP-dependent enzymes is formed at the interface of four alpha/beta domains from at least two subunits, which provide for two metal and TPP-binding sites. Residues around these catalytic sites are conserved for functional purpose, while those further away from TPP are conserved for structural reasons. Together they provide a network of contacts required for flip-flop catalytic action within TPP-dependent enzymes. Thus our analysis defines a TPP-action motif that is proposed for annotating TPP-dependent enzymes for advancing functional proteomics.

  8. High-Resolution Crystal Structures of Streptococcus pneumoniae Nicotinamidase with Trapped Intermediates Provide Insights into the Catalytic Mechanism and Inhibition by Aldehydes

    Energy Technology Data Exchange (ETDEWEB)

    French, Jarrod B.; Cen, Yana; Sauve, Anthony A.; Ealick, Steven E. (Cornell); (Weill-Med)

    2010-11-11

    Nicotinamidases are salvage enzymes that convert nicotinamide to nicotinic acid. These enzymes are essential for the recycling of nicotinamide into NAD{sup +} in most prokaryotes and most single-cell and multicellular eukaryotes, but not in mammals. The significance of these enzymes for nicotinamide salvage and for NAD{sup +} homeostasis has stimulated interest in nicotinamidases as possible antibiotic targets. Nicotinamidases are also regulators of intracellular nicotinamide concentrations, thereby regulating signaling of downstream NAD{sup +}-consuming enzymes, such as the NAD{sup +}-dependent deacetylases (sirtuins). Here, we report several high-resolution crystal structures of the nicotinamidase from Streptococcus pneumoniae (SpNic) in unliganded and ligand-bound forms. The structure of the C136S mutant in complex with nicotinamide provides details about substrate binding, while a trapped nicotinoyl thioester in a complex with SpNic reveals the structure of the proposed thioester reaction intermediate. Examination of the active site of SpNic reveals several important features, including a metal ion that coordinates the substrate and the catalytically relevant water molecule and an oxyanion hole that both orients the substrate and offsets the negative charge that builds up during catalysis. Structures of this enzyme with bound nicotinaldehyde inhibitors elucidate the mechanism of inhibition and provide further details about the catalytic mechanism. In addition, we provide a biochemical analysis of the identity and role of the metal ion that orients the ligand in the active site and activates the water molecule responsible for hydrolysis of the substrate. These data provide structural evidence of several proposed reaction intermediates and allow for a more complete understanding of the catalytic mechanism of this enzyme.

  9. Modal Testing of Mechanical Structures subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.;

    2001-01-01

    to the Operational Modal Analysis. For Operational Modal Analysis two different estimation techniques are used: a non-parametric technique based on Frequency Domain Decomposition (FDD), and a parametric technique working on the raw data in time domain, a data driven Stochastic Subspace Identification (SSI) algorithm...

  10. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.;

    2000-01-01

    to the Operational Modal Analysis. For Operational Modal Analysis two different estimation techniques are used: a non-parametric technique based on Frequency Domain Decomposition (FDD), and a parametric technique working on the raw data in time domain, a data driven Stochastic Subspace Identification (SSI) algorithm...

  11. Role of the tryptophan residue in the vicinity of the catalytic center of exonuclease III family AP endonucleases: AP site recognition mechanism

    OpenAIRE

    Kaneda, Kohichi; Sekiguchi, Junichi; Shida, Toshio

    2006-01-01

    The mechanisms by which AP endonucleases recognize AP sites have not yet been determined. Based on our previous study with Escherichia coli exonuclease III (ExoIII), the ExoIII family AP endonucleases probably recognize the DNA-pocket formed at an AP site. The indole ring of a conserved tryptophan residue in the vicinity of the catalytic site presumably intercalates into this pocket. To test this hypothesis, we constructed a series of mutants of ExoIII and human APE1. Trp-212 of ExoIII and Tr...

  12. 46 CFR 113.35-13 - Mechanical engine order telegraph systems; operation.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Mechanical engine order telegraph systems; operation...) ELECTRICAL ENGINEERING COMMUNICATION AND ALARM SYSTEMS AND EQUIPMENT Engine Order Telegraph Systems § 113.35-13 Mechanical engine order telegraph systems; operation. If more than one transmitter operates...

  13. An operating system for multicore and clouds: Mechanisms and implementation

    OpenAIRE

    Wentzlaff, David M.; Gruenwald, Charles; Beckmann, Nathan Zachary; Modzelewski, Kevin; Belay, Adam M.; Youseff, Lamia; Miller, Jason E.; Agarwal, Anant

    2010-01-01

    Cloud computers and multicore processors are two emerging classes of computational hardware that have the potential to provide unprecedented compute capacity to the average user. In order for the user to effectively harness all of this computational power, operating systems (OSes) for these new hardware platforms are needed. Existing multicore operating systems do not scale to large numbers of cores, and do not support clouds. Consequently, current day cloud systems push ...

  14. The application of Cu/SiO2 catalytic system in chemical mechanical planarization based on the stability of SiO2 sol

    International Nuclear Information System (INIS)

    There is a lot of hydroxyl on the surface of nano SiO2 sol used as an abrasive in the chemical mechanical planarization (CMP) process, and the chemical reaction activity of the hydroxyl is very strong due to the nano effect. In addition to providing a mechanical polishing effect, SiO2 sol is also directly involved in the chemical reaction. The stability of SiO2 sol was characterized through particle size distribution, zeta potential, viscosity, surface charge and other parameters in order to ensure that the chemical reaction rate in the CMP process, and the surface state of the copper film after CMP was not affected by the SiO2 sol. Polarization curves and corrosion potential of different concentrations of SiO2 sol showed that trace SiO2 sol can effectively weaken the passivation film thickness. In other words, SiO2 sol accelerated the decomposition rate of passive film. It was confirmed that the SiO2 sol as reactant had been involved in the CMP process of copper film as reactant by the effect of trace SiO2 sol on the removal rate of copper film in the CMP process under different conditions. In the CMP process, a small amount of SiO2 sol can drastically alter the chemical reaction rate of the copper film, therefore, the possibility that Cu/SiO2 as a catalytic system catalytically accelerated the chemical reaction in the CMP process was proposed. According to the van't Hoff isotherm formula and the characteristics of a catalyst which only changes the chemical reaction rate with out changing the total reaction standard Gibbs free energy, factors affecting the Cu/SiO2 catalytic reaction were derived from the decomposition rate of Cu (OH)2 and the pH value of the system, and then it was concluded that the CuSiO3 as intermediates of Cu/SiO2 catalytic reaction accelerated the chemical reaction rate in the CMP process. It was confirmed that the Cu/SiO2 catalytic system generated the intermediate of the catalytic reaction (CuSiO3) in the CMP process through the

  15. Operation analysis of a Chebyshev-Pantograph leg mechanism for a single DOF biped robot

    Science.gov (United States)

    Liang, Conghui; Ceccarelli, Marco; Takeda, Yukio

    2012-12-01

    In this paper, operation analysis of a Chebyshev-Pantograph leg mechanism is presented for a single degree of freedom (DOF) biped robot. The proposed leg mechanism is composed of a Chebyshev four-bar linkage and a pantograph mechanism. In contrast to general fully actuated anthropomorphic leg mechanisms, the proposed leg mechanism has peculiar features like compactness, low-cost, and easy-operation. Kinematic equations of the proposed leg mechanism are formulated for a computer oriented simulation. Simulation results show the operation performance of the proposed leg mechanism with suitable characteristics. A parametric study has been carried out to evaluate the operation performance as function of design parameters. A prototype of a single DOF biped robot equipped with two proposed leg mechanisms has been built at LARM (Laboratory of Robotics and Mechatronics). Experimental test shows practical feasible walking ability of the prototype, as well as drawbacks are discussed for the mechanical design.

  16. First-principles quantum mechanical investigations: Catalytic reactions of furfural on Pd(111) and at the water/Pd(111) interface

    Science.gov (United States)

    Xue, Wenhua

    Bio-oils have drawn more and more attention from scientists as a promising new clean, cheap energy source. One of the most interesting relevant issues is the effect of catalysts on the catalytic reactions that are used for producing bio-oils. Furfural, as a very important intermediate during these reactions, has attracted significant studies. However, the effect of catalysts, including particularly the liquid/solid interface formed by a metal catalyst and liquid water, in the catalytic reactions involving furfural still remains elusive. In this research, we performed ab initio molecular dynamics simulations and first-principles density-functional theory calculations to investigate the atomic-scale mechanisms of catalytic hydrogenation of furfural on the palladium surface and at the liquid/state interface formed by the palladium surface and liquid water. We studied all the possible mechanisms that lead to formation of furfuryl alcohol (FOL), formation of tetrahydrofurfural (THFAL), and formation of tetrahydrofurfurfuryl alcohol (THFOL). We found that liquid water plays a significant role in the hydrogenation reactions. During the reaction in the presence of water and the palladium catalyst, in particular, water directly participates in the hydrogenation of the aldehyde group of furfural and facilitates the formation of FOL by reducing the activation energy. Our calculations show that water provides hydrogen for the hydrogenation of the aldehyde group, and at the same time, a pre-existing hydrogen atom, which is resulted from dissociation of molecular hydrogen (experimentally, molecular hydrogen is always supplied for hydrogenation) on the palladium surface, is bonded to water, making the water molecule intact in structure. In the absence of water, on the other hand, formation of FOL and THFAL on the palladium surface involves almost the same energy barriers, suggesting a comparable selectivity. Overall, as water reduces the activation energy for the formation of FOL

  17. Solution structure of the parvulin-type PPIase domain of Staphylococcus aureus PrsA – Implications for the catalytic mechanism of parvulins

    Directory of Open Access Journals (Sweden)

    Koskela Harri

    2009-03-01

    Full Text Available Abstract Background Staphylococcus aureus is a Gram-positive pathogenic bacterium causing many kinds of infections from mild respiratory tract infections to life-threatening states as sepsis. Recent emergence of S. aureus strains resistant to numerous antibiotics has created a need for new antimicrobial agents and novel drug targets. S. aureus PrsA is a membrane associated extra-cytoplasmic lipoprotein which contains a parvulin-type peptidyl-prolyl cis-trans isomerase domain. PrsA is known to act as an essential folding factor for secreted proteins in Gram-positive bacteria and thus it is a potential target for antimicrobial drugs against S. aureus. Results We have solved a high-resolution solution structure of the parvulin-type peptidyl-prolyl cis-trans isomerase domain of S. aureus PrsA (PrsA-PPIase. The results of substrate peptide titrations pinpoint the active site and demonstrate the substrate preference of the enzyme. With detailed NMR spectroscopic investigation of the orientation and tautomeric state of the active site histidines we are able to give further insight into the structure of the catalytic site. NMR relaxation analysis gives information on the dynamic behaviour of PrsA-PPIase. Conclusion Detailed structural description of the S. aureus PrsA-PPIase lays the foundation for structure-based design of enzyme inhibitors. The structure resembles hPin1-type parvulins both structurally and regarding substrate preference. Even though a wealth of structural data is available on parvulins, the catalytic mechanism has yet to be resolved. The structure of S. aureus PrsA-PPIase and our findings on the role of the conserved active site histidines help in designing further experiments to solve the detailed catalytic mechanism.

  18. Features wear nodes mechanization wing aircraft operating under dynamic loads

    Directory of Open Access Journals (Sweden)

    А.М. Хімко

    2009-03-01

    Full Text Available  The conducted researches of titanic alloy ВТ-22 at dynamic loading with cycled sliding and dynamic loading in conditions of rolling with slipping. It is established that roller jamming in the carriage increases wear of rod of mechanization of a wing to twenty times. The optimum covering for strengthening wearied sites and restoration of working surfaces of wing’s mechanization rod is defined.

  19. Catalytic coherence transformations

    Science.gov (United States)

    Bu, Kaifeng; Singh, Uttam; Wu, Junde

    2016-04-01

    Catalytic coherence transformations allow the otherwise impossible state transformations using only incoherent operations with the aid of an auxiliary system with finite coherence that is not being consumed in any way. Here we find the necessary and sufficient conditions for the deterministic and stochastic catalytic coherence transformations between a pair of pure quantum states. In particular, we show that the simultaneous decrease of a family of Rényi entropies of the diagonal parts of the states under consideration is a necessary and sufficient condition for the deterministic catalytic coherence transformations. Similarly, for stochastic catalytic coherence transformations we find the necessary and sufficient conditions for achieving a higher optimal probability of conversion. We thus completely characterize the coherence transformations among pure quantum states under incoherent operations. We give numerous examples to elaborate our results. We also explore the possibility of the same system acting as a catalyst for itself and find that indeed self-catalysis is possible. Further, for the cases where no catalytic coherence transformation is possible we provide entanglement-assisted coherence transformations and find the necessary and sufficient conditions for such transformations.

  20. Catalyst performance and mechanism of catalytic combustion of dichloromethane (CH2Cl2) over Ce doped TiO2.

    Science.gov (United States)

    Cao, Shuang; Wang, Haiqiang; Yu, Feixiang; Shi, Mengpa; Chen, Shuang; Weng, Xiaole; Liu, Yue; Wu, Zhongbiao

    2016-02-01

    TiO2 and Ce/TiO2 were synthesized and subsequently used for the catalytic combustion of DCM. TiO2 had abundant Lewis acid sites and was responsible for the adsorption and the rupture of C-Cl bonds. However, TiO2 tended to be inactivated because of chloride poisoning due to the adsorption and accumulation of Cl species over the surface. While, Ce/TiO2 obtained total oxidation of CH2Cl2 at 335°C and exhibited stable DCM removal activity on 100h long-time stability tests at 330°C without any catalyst deactivation. The doped cerium generated Ce(3+) chemical states and surface active oxygen, and therefore played important roles from two aspects as follows. First of all, the poisoning of Cl for Ce/TiO2 was inhibited to some extent by CeO2 due to the rapid removal of Cl on the surface of CeO2, which has been verified by NH3-IR characterization. In the other hand, CeO2 enhanced the further deep oxidation of C-H from byproducts and retained the certain oxidation of CO to CO2. Based on the DRIFT characterization and the catalysts activity tests, a two-step reaction pathway for the catalytic combustion of DCM on Ce/TiO2 catalyst was proposed. PMID:26550781

  1. New insights into the catalytic mechanism of Bombyx mori prostaglandin E synthase gained from structure–function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Kohji, E-mail: yamamok@agr.kyushu-u.ac.jp [Faculty of Agriculture, Kyushu University Graduate School, 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581 (Japan); Suzuki, Mamoru; Higashiura, Akifumi [Institute for Protein Research, Osaka University, Suita 565-0871 (Japan); Aritake, Kosuke; Urade, Yoshihiro; Uodome, Nobuko [Department of Molecular Behavioral Biology, Osaka Bioscience Institute, 6-2-4 Furuedai, Suita, Osaka 565-0874 (Japan); Hossain, MD. Tofazzal [Faculty of Agriculture, Kyushu University Graduate School, 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581 (Japan); Nakagawa, Atsushi [Institute for Protein Research, Osaka University, Suita 565-0871 (Japan)

    2013-11-01

    Highlights: •Structure of Bombyx mori prostaglandin E synthase is determined. •Bound glutathione sulfonic acid is located at the glutathione-binding site. •Electron-sharing network is present in this protein. •This network includes Asn95, Asp96, and Arg98. •Site-directed mutagenesis reveals that the residues contribute to the catalytic activity. -- Abstract: Prostaglandin E synthase (PGES) catalyzes the isomerization of PGH{sub 2} to PGE{sub 2}. We previously reported the identification and structural characterization of Bombyx mori PGES (bmPGES), which belongs to Sigma-class glutathione transferase. Here, we extend these studies by determining the structure of bmPGES in complex with glutathione sulfonic acid (GTS) at a resolution of 1.37 Å using X-ray crystallography. GTS localized to the glutathione-binding site. We found that electron-sharing network of bmPGES includes Asn95, Asp96, and Arg98. Site-directed mutagenesis of these residues to create mutant forms of bmPGES mutants indicate that they contribute to catalytic activity. These results are, to our knowledge, the first to reveal the presence of an electron-sharing network in bmPGES.

  2. New insights into the catalytic mechanism of Bombyx mori prostaglandin E synthase gained from structure–function analysis

    International Nuclear Information System (INIS)

    Highlights: •Structure of Bombyx mori prostaglandin E synthase is determined. •Bound glutathione sulfonic acid is located at the glutathione-binding site. •Electron-sharing network is present in this protein. •This network includes Asn95, Asp96, and Arg98. •Site-directed mutagenesis reveals that the residues contribute to the catalytic activity. -- Abstract: Prostaglandin E synthase (PGES) catalyzes the isomerization of PGH2 to PGE2. We previously reported the identification and structural characterization of Bombyx mori PGES (bmPGES), which belongs to Sigma-class glutathione transferase. Here, we extend these studies by determining the structure of bmPGES in complex with glutathione sulfonic acid (GTS) at a resolution of 1.37 Å using X-ray crystallography. GTS localized to the glutathione-binding site. We found that electron-sharing network of bmPGES includes Asn95, Asp96, and Arg98. Site-directed mutagenesis of these residues to create mutant forms of bmPGES mutants indicate that they contribute to catalytic activity. These results are, to our knowledge, the first to reveal the presence of an electron-sharing network in bmPGES

  3. 16 CFR 703.5 - Operation of the Mechanism.

    Science.gov (United States)

    2010-01-01

    ... consumer that: (i) The dispute has been settled to the consumer's satisfaction; and (ii) The settlement... of a dispute, the Mechanism shall immediately inform both the warrantor and the consumer of receipt..., and to what extent, warrantor will abide by its decision; and (4) Disclose to the consumer...

  4. Overcoming Misconceptions in Quantum Mechanics with the Time Evolution Operator

    Science.gov (United States)

    Quijas, P. C. Garcia; Aguilar, L. M. Arevalo

    2007-01-01

    Recently, there have been many efforts to use the research techniques developed in the field of physics education research to improve the teaching and learning of quantum mechanics. In particular, part of this research is focusing on misconceptions held by students. For instance, a set of misconceptions is associated with the concept of stationary…

  5. Operational performance of the mechanized and semi-mechanized potato harvest Desempenho operacional da colheita mecanizada e semimecanizada de batata

    OpenAIRE

    João P. A. R. da Cunha; Daniel H. Martins; Walter G. da Cunha

    2011-01-01

    Potato is an important crop plant throughout the world. Harvesting is a fundamental step in its production system. Maybe, it is the most complex and expensive operation. Thus, the objective of this work was to compare the cost of the mechanized and semi-mechanized harvest, the operational capacity and the production losses during the potato harvest process. The work was accomplished in a commercial farming, cultivated under pivot system, in the municipal district of Perdizes - MG, Brazil. A c...

  6. Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition

    Directory of Open Access Journals (Sweden)

    Yunlong Si

    2016-04-01

    Full Text Available PP2C-type phosphatases play roles in signal transduction pathways related to abiotic stress. The cyanobacterial PP2C-type phosphatase tPphA specifically dephosphorylates the PII protein, which is a key regulator in cyanobacteria adapting to nitrogen-deficient environments. Previous studies have shown that residue His39 of tPphA is critical for the enzyme’s recognition of the PII protein; however, the manner in which this residue determines tPphA substrate specificity is unknown. Here, we solved the crystal structure of H39A, a tPphA variant. The structure revealed that the mutation of residue His39 to alanine changes the conformation and the flexibility of the loop in which residue His39 is located, and these changes affect the substrate specificity of tPphA. Moreover, previous studies have assumed that the FLAP subdomain and the third metal (M3 of tPphA could mutually influence each other to regulate PP2C catalytic activity and substrate specificity. However, despite the variable conformations adopted by the FLAP subdomain, the position of M3 was consistent in the tPphA structure. These results indicate that the FLAP subdomain does not influence M3 and vice versa. In addition, a small screen of tPphA inhibitors was performed. Sanguinarine and Ni2+ were found to be the most effective inhibitors among the assayed chemicals. Finally, the dimeric form of tPphA was stabilized by cross-linkers and still exhibited catalytic activity towards p-nitrophenyl phosphate.

  7. Interfacial operators in the mechanics of composite media

    Science.gov (United States)

    Hill, R.

    S TRESS discontinuities in composite media can be treated systematically by splitting second-rank tensors at an interface into exterior and interior parts. With anisotropic response the decomposition needs support by an appropriate algebra of fourth-rank interfacial operators. This topic is reviewed here and some fresh standpoints are proposed. These lead to a reorganization of the algebra and its further development. The main new application is to elastoplastic composites whose response is subject to the normality flow-rule. Contact is also made with existing theories of incipient discontinuities in hyperbolic states of plastic deformation.

  8. Intelligent Control Mechanism of Part Picking Operations of Automated Warehouse

    Institute of Scientific and Technical Information of China (English)

    Chwen-Tzeng; Su

    2002-01-01

    This paper studies the part picking operations of a ut omated warehouse. It assumed the demand of picking orders of automated warehouse are dynamic generated. Once the picking orders of certain period of time are kn own, it is necessary to decide an efficient order picking sequence and routing t o minimize the total travel distance to complete those orders. Assumed there are n i items to be picked in order O i. Each item in the picking ord er is located in different locations in the warehouse. Since i...

  9. A co-operative mechanism of subthreshold pion production

    International Nuclear Information System (INIS)

    We present a statistical model to study the pion production at subthreshold beam energies (< 290 MeV/A). This model involves the co-operative action of several of the target and projectile nucleons in the pion production process. We also consider the formation of the fragments in the final channel along side the produced pion. Calculations performed within the model provide a good overall description of the experimental data over a wide range of beam energies and masses of the participating nuclei. Fragment formation in the final channel is seen to be vital to understand the experimental data. (orig.)

  10. Renormalizing the kinetic energy operator in elementary quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Coutinho, F A B [Faculdade de Medicina, Universidade de Sao Paulo e LIM 01-HCFMUSP, 05405-000 Sao Paulo (Brazil); Amaku, M [Faculdade de Medicina Veterinaria e Zootecnia, Universidade de Sao Paulo, 05508-970 Sao Paulo (Brazil)], E-mail: coutinho@dim.fm.usp.br

    2009-09-15

    In this paper, we consider solutions to the three-dimensional Schroedinger equation of the form {psi}(r) = u(r)/r, where u(0) {ne} 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly cancelling the kinetic energy divergence. This renormalization procedure produces a self-adjoint Hamiltonian. We solve some problems with this new Hamiltonian to illustrate its usefulness.

  11. SPENCER OPERATOR AND APPLICATIONS: From Continuum Mechanics to Mathematical physics

    OpenAIRE

    Pommaret, J.F.

    2011-01-01

    Though a few of the results presented are proved in the recent references provided, the way they are combined with others and patched together around the three books quoted is new. In view of the importance of the full paper, the present version is only a summary of the definitive version to appear later on. Finally, the reader must not forget that "each formula" appearing in this new general framework has been used explicitly or implicitly in (C), (M) and (W) for a mechanical, mathematical o...

  12. Joint probabilities of noncommuting operators and incompleteness of quantum mechanics

    International Nuclear Information System (INIS)

    We use joint probabilities to analyze the EPR argument in the Bohm's example of spins. The properties of distribution functions for two, three, or more noncommuting spin components are explicitly studied and their limitations are pointed out. Within the statistical ensemble interpretation of quantum theory (where only statements about repeated events can be made), the incompleteness of quantum theory does not follow, as the consistent use of joint probabilities shows. This does not exclude a completion of quantum mechanics, going beyond it, by a more general theory of single events, using hidden variables, for example

  13. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, July 1--September 30, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, H.; Somorjai, G.A.; Perry, D.L.

    1992-09-01

    Work will continue on the oxidative coupling reaction of methane over ternary oxide catalysts to produce C{sub 2}, C{sub 3} and C{sub 4} hydrocarbons and Particularly Olefins with high selectivity. The work which has shown that close to 100% selectivity can be obtained has received wide attention and has resulted in collaborative efforts with industry (CRADA) towards the development of a commercial process. An immediate purpose of additional work is to increase the conversion without diminishing the extremely high selectivity of the reaction and also to permit operation at higher space velocity to reduce equipment size. The mechanism of this reaction is not understood and much additional work is needed to explain the role of carbon formation and of water as intermediates in the reaction and to investigate whether carbon oxides are intermediates. It has been found that oxides other than calcium-nickel-potassium oxides can be useful catalysts for this reaction in the presence of steam and at relatively low temperatures and long contact times. Better definition of the class of binary metal oxides is required and better catalyst characterization is needed to ensure reproducibility Of catalyst preparation and operational results. Pretreatment of the catalyst should be shortened and higher space velocities must be obtained. Close collaboration with Orion ACT is required to advance the project toward the pilot plant stage. In the area of coal and char catalytic steam gasification, the large volume of data obtained at atmospheric pressure will be extended to operations at higher pressures.

  14. A Curriculum Guide for Heavy Equipment Operation and Maintenance: Safety & First Aid, Operation, Maintenance, Truck Driving, Diesel Mechanics, Construction Surveying.

    Science.gov (United States)

    Pollock, Steve; Henegar, Wayne

    This curriculum guide uses six units to classify the areas of study which are taught under the broad category of Heavy Equipment Operation and Maintenance. The units are Safety and First Aid (1.0.0), Heavy Equipment Maintenance (2.0.0), Heavy Equipment Operation (3.0.0), Truck Driving (4.0.0), Diesel Mechanics (5.0.0), and Construction Surveying…

  15. Mechanical design and operating behaviour of advanced LWR fuel elements

    International Nuclear Information System (INIS)

    The development of fuel elements for pressurized and and boiling water reactors during the last years was marked by a reduction of the fuel cycle costs with security and reliability in operation remaining constant. The heightening of fuel discharge burnup and the improvement of neutron economy contributed essentially to that. The latter had been achieved by a reduction of the parasitic absorption within the fuel element and the leakage of neutrons of the reactor cores. These improvements could be obtained under complete observance of the safety-relevant requirements. Due to the change to fuel elements with a higher number of rods and correspondingly lower rod power it was even possible to raise the security margins partly. A survey of the state of experiences of Siemens/KWU is given. (orig./DG)

  16. Program of assessment of mechanical and corrosion mechanical properties of reactor internals materials due to operation conditions in WWERs

    International Nuclear Information System (INIS)

    Reactor internals are subject to three principle operation influences: neutron and gamma irradiation, mechanical stresses, both static and dynamic, and coolant chemistry. Several cases of damage have been reported in previous years in both boiling and pressure water reactors. They are linked with the term of irradiation assisted stress corrosion cracking as a possible damage mechanism. In WWERs, the principal material used for reactor internals is austenitic titanium stabilized stainless steel 08Kh18N10T, however high strength steels are used as well. To assess the changes of mechanical properties and to determine whether sensitivity to intergranular cracking can be increased by high neutron fluences, the experimental program has been started. The goal is to assure safe operation of the internals as well as life management for all planned operation period. The program consists of tests of material properties, both mechanical and corrosion-mechanical. Detailed neutron fluxes calculation as well as stress and deformation calculations are part of the assessment. Model of change will be proposed in order to plan inspections of the facility. In situ measurements of internals will be used to monitor exact status of structure during operation. Tensile specimens manufactured from both base metal and model weld joint have been irradiated to the total fluences of 3-20 dpa. Changes of mechanical properties are tested by the tensile test, stress corrosion cracking tests are performed in the autoclave with water loop and active loading. Operation temperature, pressure and water chemistry are chosen for the tests. (author)

  17. Study on the control mechanism of China aerospace enterprises' binary multinational operation

    Institute of Scientific and Technical Information of China (English)

    Wang Jian; Li Hanling; Wu Weiwei

    2008-01-01

    China's aerospace enterprises carry on the multinational operation and participate in the international competition and the international division of labor and cooperation positively.This article first analyzs China aerospace enterprises' binary multinational business control objective and constructes its model.Then the article analyzes the tangible and intangible control mechanism of China aerospace enterprises' binary multinational operation respectively.Finally,the article constructs the model of China aerospace enterprises' binary multinational operation mechanisms.

  18. Monitoring device for operation of reactor control rod driving mechanism

    International Nuclear Information System (INIS)

    The device of the present invention detects occurrence of abnormality of control rod driving mechanisms in an early stage by extracting changes of a controlling current for the CRDM of a PWR type reactor. Namely, the device of the present invention comprises an abnormality detection and processing device which performs wavelet conversion of signals of the current flowing in a lift coil, signals of the current flowing in a movable griper coil and signals of the current flowing in a stationary griper coil in the CRDM. The device compares the effective value of the wavelet conversion with a previously set reference value. The abnormality of CRDM is analyzed based on the comparative results showing that the effective value of the WAVELET conversion exceeds a predetermined relationship with the reference value. With such procedures, slight change of waveforms can be recognized accurately based on the information represented by three axes, namely, a time axis, the extent of extension/contraction of a base function and a corelationship of the base functions, without using an expensive accelerometer. (I.S.)

  19. Reaction Mechanism for the Formation of Nitrogen Oxides (NO x ) During Coke Oxidation in Fluidized Catalytic Cracking Units

    KAUST Repository

    Chaparala, Sree Vidya

    2015-06-11

    Fluidized catalytic cracking (FCC) units in refineries process heavy feedstock obtained from crude oil distillation. While cracking feed, catalysts get deactivated due to coke deposition. During catalyst regeneration by burning coke in air, nitrogen oxides (NOx) are formed. The increase in nitrogen content in feed over time has resulted in increased NOx emissions. To predict NOx concentration in flue gas, a reliable model for FCC regenerators is needed that requires comprehensive understanding and accurate kinetics for NOx formation. Based on the nitrogen-containing functional groups on coke, model molecules are selected to study reactions between coke-bound nitrogen and O2 to form NO and NO2 using density functional theory. The reaction kinetics for the proposed pathways are evaluated using transition state theory. It is observed that the addition of O2 on coke is favored only when the free radical is present on the carbon atom instead of nitrogen atom. Thus, NOx formation during coke oxidation does not result from the direct attack by O2 on N atoms of coke, but from the transfer of an O atom to N from a neighboring site. The low activation energies required for NO formation indicate that it is more likely to form than NO2 during coke oxidation. The favorable pathways for NOx formation that can be used in FCC models are identified. Copyright © 2015 Taylor & Francis Group, LLC.

  20. Developing soft X-ray spectroscopy for in situ characterization of nanocatalysts in catalytic reactions

    International Nuclear Information System (INIS)

    Understanding the mechanisms of catalytic and reactions calls for in situ/operando spectroscopic characterization. Here we report the developments of in situ reaction cells at the Advanced Light Source for soft X-ray spectroscopic studies of nanoparticle catalysts during the catalytic reactions. The operation of these various cells and their capabilities are illustrated with examples from the studies of Co-based nanocatalysts

  1. Transient thermal-mechanical coupling behavior analysis of mechanical seals during start-up operation

    Science.gov (United States)

    Gao, B. C.; Meng, X. K.; Shen, M. X.; Peng, X. D.

    2016-05-01

    A transient thermal-mechanical coupling model for a contacting mechanical seal during start-up has been developed. It takes into consideration the coupling relationship among thermal-mechanical deformation, film thickness, temperature and heat generation. The finite element method and multi-iteration technology are applied to solve the temperature distribution and thermal-mechanical deformation as well as their evolution behavior. Results show that the seal gap transforms from negative coning to positive coning and the contact area of the mechanical seal gradually decreases during start-up. The location of the maximum temperature and maximum contact pressure move from the outer diameter to inside diameter. The heat generation and the friction torque increase sharply at first and then decrease. Meanwhile, the contact force decreases and the fluid film force and leakage rate increase.

  2. Catalytic mechanism in successive two-step protein-film voltammetry—Theoretical study in square-wave voltammetry

    OpenAIRE

    Gulaboski, Rubin; Mihajlov, Ljupco

    2011-01-01

    Protein-film voltammetry is established as an effective tool that provides insight to the redox features of various lipophilic proteins by using a simple methodology. Although the protein-film experimental set up is relatively simple, the redox mechanisms of many proteins are quite complicated, and very often they cannot be resolved without having support from adequate mathematical models. In this work we continue our contribution to modeling relevant redox mechanisms in protein-f...

  3. Structure and Catalytic Mechanism of Laccase%漆酶的结构与催化反应机理

    Institute of Scientific and Technical Information of China (English)

    靳蓉; 张飞龙

    2012-01-01

    漆酶是一种广泛分布的多酚氧化酶,主要由单一多肽、铜离子活性中心、糖配基组成。多肽链一般含有18种氨基酸,构成漆酶的结构主体;糖配基因漆酶的来源不同而异,是漆酶多样性的标志之一。漆酶活性中心的铜离子依据光学和磁学特性被分为3种类型:Ⅰ型或蓝型铜,Ⅱ型或通常型铜,Ⅲ型或偶联的双核型铜。漆酶的催化反应机理主要包括酶对底物的电子提取、电子的传递和氧分子对酶的还原三步,是一个通过电子转移发生氧化还原反应的过程。%Laccase is one kind of polyphenol-oxidase distributed widely. It is mainly composed of single peptide,copper ions active center and sugar genin. There are 18 kinds of amino acid in the peptide generally,making up the structure body; sugar genin,as one of the signs of diversity,differs in laccases. The copper ions in the acticve center are divided into 3 types based on optical and magnetic properties: type Ⅰor blue type copper,type Ⅱor usually type copper,typeⅢ or coupling double-core copper. The catalysis of laccase is redox reaction through electron transfer,generally including the electronic extraction of substrate, the transmission of electrons ,enzyme reduction by O 2 . Factors like temperature,pH,buffer system,acid, inhibitors,etc. all have an effect on the catalytic ability of laccase.

  4. Monolithic catalytic igniters

    Science.gov (United States)

    La Ferla, R.; Tuffias, R. H.; Jang, Q.

    1993-01-01

    Catalytic igniters offer the potential for excellent reliability and simplicity for use with the diergolic bipropellant oxygen/hydrogen as well as with the monopropellant hydrazine. State-of-the-art catalyst beds - noble metal/granular pellet carriers - currently used in hydrazine engines are limited by carrier stability, which limits the hot-fire temperature, and by poor thermal response due to the large thermal mass. Moreover, questions remain with regard to longevity and reliability of these catalysts. In this work, Ultramet investigated the feasibility of fabricating monolithic catalyst beds that overcome the limitations of current catalytic igniters via a combination of chemical vapor deposition (CVD) iridium coatings and chemical vapor infiltration (CVI) refractory ceramic foams. It was found that under all flow conditions and O2:H2 mass ratios tested, a high surface area monolithic bed outperformed a Shell 405 bed. Additionally, it was found that monolithic catalytic igniters, specifically porous ceramic foams fabricated by CVD/CVI processing, can be fabricated whose catalytic performance is better than Shell 405 and with significantly lower flow restriction, from materials that can operate at 2000 C or higher.

  5. Applications of Weyl Ordered Two-Mode Wigner Operator for Quantum Mechanical Entangled System

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi

    2004-01-01

    Based on the technique of integral within a Weyl ordered product of operators, we present applications of the Weyl ordered two-mode Wigner operator for quantum mechanical entangled system, e.g., we derive the complex Wigner transform and its relation to the complex fractional Fourier transform, as well as the entangled Radon transform.

  6. Bessel equation as an operator identity's matrix element in quantum mechanics

    International Nuclear Information System (INIS)

    We study the well-known Bessel equation itself in the framework of quantum mechanics. We show that the Bessel equation is a spontaneous result of an operator identity's matrix element in some definite entangled state representations, which is a fresh look. Application of this operator formalism in the Hankel transform of Laplace equation is presented

  7. Study on the mechanism of NH3-selective catalytic reduction over CuCe x Zr1-x /TiO2

    Science.gov (United States)

    Chen, Xujuan; Sun, Xiaoliang; Gong, Cairong; Lv, Gang; Song, Chonglin

    2016-03-01

    Copper-cerium-zirconium catalysts loaded on TiO2 prepared by a wet impregnation method were investigated for NH3-selective catalytic reduction (SCR) of NO x . The reaction mechanism was proposed on the basis of results from in situ diffuse reflectance infrared transform spectroscopy (DRIFT). When NH3 is introduced, ammonia bonded to Lewis acid sites is more stable over CuCe0.25Zr0.75/TiO2 at high temperature, while Brønsted acid sites are more important than Lewis acid sites at low temperature. For the NH3+NO+O2 co-adsorption, NH3 species occupy most of activity sites on CuCe0.25Zr0.75/TiO2 catalyst, and mainly exist in the forms of NH{4/+} (at low temperature) and NH3 coordinated (at high temperature), playing a crucial role in the NH3-SCR process. Two different reaction routes, the L-H mechanism at low temperature ( 200°C), are presented for the SCR reaction over CuCe0.25Zr0.75/TiO2 catalyst.

  8. Study on the mechanism of NH3-selective catalytic reduction over CuCexZr1-x/TiO2

    Science.gov (United States)

    Chen, Xujuan; Sun, Xiaoliang; Gong, Cairong; Lv, Gang; Song, Chonglin

    2016-06-01

    Copper-cerium-zirconium catalysts loaded on TiO2 prepared by a wet impregnation method were investigated for NH3-selective catalytic reduction (SCR) of NOx. The reaction mechanism was proposed on the basis of results from in situ diffuse reflectance infrared transform spectroscopy (DRIFT). When NH3 is introduced, ammonia bonded to Lewis acid sites is more stable over CuCe0.25Zr0.75/TiO2 at high temperature, while Brønsted acid sites are more important than Lewis acid sites at low temperature. For the NH3+NO+O2 co-adsorption, NH3 species occupy most of activity sites on CuCe0.25Zr0.75/TiO2 catalyst, and mainly exist in the forms of NH4 + (at low temperature) and NH3 coordinated (at high temperature), playing a crucial role in the NH3-SCR process. Two different reaction routes, the L-H mechanism at low temperature ( 200°C), are presented for the SCR reaction over CuCe0.25Zr0.75/TiO2 catalyst.

  9. 42 CFR 433.116 - FFP for operation of mechanized claims processing and information retrieval systems.

    Science.gov (United States)

    2010-10-01

    ... FISCAL ADMINISTRATION Mechanized Claims Processing and Information Retrieval Systems § 433.116 FFP for operation of mechanized claims processing and information retrieval systems. (a) Subject to 42 CFR 433.113(c... and information retrieval systems. 433.116 Section 433.116 Public Health CENTERS FOR...

  10. Mining Pribram in science and technology. Proceedings of Session R - Mechanization of mine operations

    International Nuclear Information System (INIS)

    The proceedings contain 30 papers of which two deal with uranium mine problems, viz.: ''Current and prospective orientation of mechanized driving of mines and underground infrastructures'' and ''The operation of rail-less mine mechanization in the Hamr area''. (J.B.)

  11. The role of mechanization and integration of manufacturing processes in achieving operational performance

    DEFF Research Database (Denmark)

    Naqvi, Syed Turab Haider; Farooq, Sami; Johansen, John; Matthiesen, Rikke Vestergaard; Yang, Cheng

    2014-01-01

    Small manufacturing firms are the dominant organization type for most of the developed countries. However, these firms have not been the focus of research and their strategic and operational needs are not extensively addressed by the academic community. Therefore, this research aims at empirically...... finding the impact of mechanization and integration of manufacturing processes and systems on operational performance in small Danish manufacturing firms. We use data of 357 small Danish manufacturing firms and empirically found distinct impact of mechanization and integration of systems on operational...... performance in context of production to order (PTO) and production to stock (PTS) strategies....

  12. NEW METHODS FOR TUNING OF MECHANICAL SYSTEMS DURING OPERATION IN STEADY STATE

    Directory of Open Access Journals (Sweden)

    Jaroslav HOMIŠIN

    2014-12-01

    Full Text Available The main purpose of this paper is to inform the technical community about new tuning methods of torsional oscillating mechanical systems (TOMS during operation in a steady state by means of application of pneumatic flexible shaft couplings. It is possible to change the torsional stiffness of pneumatic couplings by means of a change of gaseous medium pressure either out of operation or during operation. There are two possibilities how to tune the torsional oscillating mechanical systems: - tuning of torsion oscillating mechanical systems out of operation, what fulfils condition of given system tuning, - tuning of torsion oscillating mechanical systems during operation in a steady state, what fulfils condition of given system continual tuning. The basic principle of TOMS tuning during operation in the steady state consists in an adjustment of basic dynamical properties of pneumatic coupling according to the system dynamics. This adjustment can be made by means of a regulation system working in regulation circuit arrangement with a feedback. In this way it is possible to change dynamical properties of pneumatic coupling continuously with regard to dynamic of mechanical system, so that it can be eliminated dangerous torsional oscillation of given system in the working mode.

  13. Theory of hybrid systems; 1, The operator formulation of classical mechanics and semiclassical limit

    CERN Document Server

    Prvanovic, S

    2001-01-01

    The algebra of polynomials in operators that represent generalized coordinate and momentum and depend on the Planck constant is defined. The Planck constant is treated as the parameter taking values between zero and some nonvanishing $h_0$. For the second of these two extreme values, introduced operatorial algebra becomes equivalent to the algebra of observables of quantum mechanical system defined in the standard manner by operators in the Hilbert space. For the vanishing Planck constant, the generalized algebra gives the operator formulation of classical mechanics since it is equivalent to the algebra of variables of classical mechanical system defined, as usually, by functions over the phase space. In this way, the semiclassical limit of kinematical part of quantum mechanics is established through the generalized operatorial framework.

  14. Stepwise catalytic mechanism via short-lived intermediate inferred from combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2.

    Directory of Open Access Journals (Sweden)

    Tomáš Trnka

    2015-04-01

    Full Text Available The glycosylation of cell surface proteins plays a crucial role in a multitude of biological processes, such as cell adhesion and recognition. To understand the process of protein glycosylation, the reaction mechanisms of the participating enzymes need to be known. However, the reaction mechanism of retaining glycosyltransferases has not yet been sufficiently explained. Here we investigated the catalytic mechanism of human isoform 2 of the retaining glycosyltransferase polypeptide UDP-GalNAc transferase by coupling two different QM/MM-based approaches, namely a potential energy surface scan in two distance difference dimensions and a minimum energy reaction path optimisation using the Nudged Elastic Band method. Potential energy scan studies often suffer from inadequate sampling of reactive processes due to a predefined scan coordinate system. At the same time, path optimisation methods enable the sampling of a virtually unlimited number of dimensions, but their results cannot be unambiguously interpreted without knowledge of the potential energy surface. By combining these methods, we have been able to eliminate the most significant sources of potential errors inherent to each of these approaches. The structural model is based on the crystal structure of human isoform 2. In the QM/MM method, the QM region consists of 275 atoms, the remaining 5776 atoms were in the MM region. We found that ppGalNAcT2 catalyzes a same-face nucleophilic substitution with internal return (SNi. The optimized transition state for the reaction is 13.8 kcal/mol higher in energy than the reactant while the energy of the product complex is 6.7 kcal/mol lower. During the process of nucleophilic attack, a proton is synchronously transferred to the leaving phosphate. The presence of a short-lived metastable oxocarbenium intermediate is likely, as indicated by the reaction energy profiles obtained using high-level density functionals.

  15. 40 CFR Table 14 to Subpart Uuu of... - Continuous Compliance With Operating Limits for Organic HAP Emissions From Catalytic Cracking Units

    Science.gov (United States)

    2010-07-01

    ... demonstrate continuous compliance by . . . 1. Subject to NSPS for carbon monoxide (CO) in 40 CFR 60.103... to the NSPS for CO in 40 CFR 60.103 a. Continuous emission monitoring system Not applicable Complying... Limits for Organic HAP Emissions From Catalytic Cracking Units 14 Table 14 to Subpart UUU of Part...

  16. Catalytic and surface oxidation processes on transition metal surfaces

    OpenAIRE

    Jaatinen, Sampsa

    2007-01-01

    Transition metals are technologically important catalytic materials. The transition metal catalysts are used for example in petroleum and fertilizer industry. In the car industry the catalytic materials are used in the catalytic converters. Because of the industrial importance the catalytic metals have been widely studied throughout the past decades. Nonetheless, the oxidation mechanisms of small molecules and the effect of alloying to catalytic properties of metals are not fully understood. ...

  17. On the Structural Context and Identification of Enzyme Catalytic Residues

    OpenAIRE

    Yu-Tung Chien; Shao-Wei Huang

    2013-01-01

    Enzymes play important roles in most of the biological processes. Although only a small fraction of residues are directly involved in catalytic reactions, these catalytic residues are the most crucial parts in enzymes. The study of the fundamental and unique features of catalytic residues benefits the understanding of enzyme functions and catalytic mechanisms. In this work, we analyze the structural context of catalytic residues based on theoretical and experimental structure flexibility. The...

  18. Dynamics and mechanisms of catalytic processes and hot chemistry. Progress report, March 1, 1982-February 28, 1983

    International Nuclear Information System (INIS)

    The characterization of photo-assistance and photochemical changes in reactions catalyzed with Wilkinson's Catalyst has been extended to include kinetic analysis and a preliminary determination of the main features in the action spectrum. Photo-assistance in olefin hydrogenation and photochemical transformation of the catalyst to promote olefin isomerization occur over distinct spectral regions. Kinetic analysis of the yield data indicates the metastable isomerization catalyst formed is long lived and operates with a substantial turnover number and corresponding high quantum yield. Products from the new reaction between sulfur dioxide and hexamethyldisilazane discovered in this laboratory were further characterized. This reaction represents a facile silylation process in the absence of acidic hydrogen which produces synthetically and analytically useful materials. The new solid product, ammonium trimethylsilyl sulfite, was studied in detail. This ionic compound has an unusually high vapor pressure at 250C, and the gas phase components in equilibrium with the solid were identified by FT-1R methods. A patent filed by DOE in this area is pending. The dynamical model developed in this laboratory to describe recoil processes has been applied to investigations of the moderated nuclear recoil technique for measuring thermal rate constants. The general applicability and constraints of the method have been identified from the results obtained in several model systems. The recoil spectrum for chlorine-36 produced via the (n,γ) process has been calculated from the prompt gamma ray spectrum and compared with that of chlorine-38 previously reported from this laboratory. 3 figures, 4 tables

  19. Amino acid residues involved in the catalytic mechanism of NAD-dependent glutamate dehydrogenase from Halobacterium salinarum.

    Science.gov (United States)

    Pérez-Pomares, F; Ferrer, J; Camacho, M; Pire, C; LLorca, F; Bonete, M J

    1999-02-01

    The pH dependence of kinetic parameters for a competitive inhibitor (glutarate) was determined in order to obtain information on the chemical mechanism for NAD-dependent glutamate dehydrogenase from Halobacterium salinarum. The maximum velocity is pH dependent, decreasing at low pHs giving a pK value of 7.19+/-0.13, while the V/K for l-glutamate at 30 degrees C decreases at low and high pHs, yielding pK values of 7.9+/-0.2 and 9.8+/-0.2, respectively. The glutarate pKis profile decreases at high pHs, yielding a pK of 9. 59+/-0.09 at 30 degrees C. The values of ionization heat calculated from the change in pK with temperature are: 1.19 x 10(4), 5.7 x 10(3), 7 x 10(3), 6.6 x 10(3) cal mol-1, for the residues involved. All these data suggest that the groups required for catalysis and/or binding are lysine, histidine and tyrosine. The enzyme shows a time-dependent loss in glutamate oxidation activity when incubated with diethyl pyrocarbonate (DEPC). Inactivation follows pseudo-first-order kinetics with a second-order rate constant of 53 M-1min-1. The pKa of the titratable group was pK1=6.6+/-0.6. Inactivation with ethyl acetimidate also shows pseudo-first-order kinetics as well as inactivation with TNM yielding second-order constants of 1.2 M-1min-1 and 2.8 M-1min-1, and pKas of 8.36 and 9.0, respectively. The proposed mechanism involves hydrogen binding of each of the two carboxylic groups to tyrosyl residues; histidine interacts with one of the N-hydrogens of the l-glutamate amino group. We also corroborate the presence of a conservative lysine that has a remarkable ability to coordinate a water molecule that would act as general base. PMID:10076069

  20. Explicit expressions of quantum mechanical rotation operators for spins 1 to 2

    Science.gov (United States)

    Kocakoç, Mehpeyker; Tapramaz, Recep

    2016-03-01

    Quantum mechanical rotation operators are the subject of quantum mechanics, mathematics and pulsed magnetic resonance spectroscopies, namely NMR, EPR and ENDOR. They are also necessary for spin based quantum information systems. The rotation operators of spin 1/2 are well known and can be found in related textbooks. But rotation operators of other spins greater than 1/2 can be found numerically by evaluating the series expansions of exponential operator obtained from Schrödinger equation, or by evaluating Wigner-d formula or by evaluating recently established expressions in polynomial forms discussed in the text. In this work, explicit symbolic expressions of x, y and z components of rotation operators for spins 1 to 2 are worked out by evaluating series expansion of exponential operator for each element of operators and utilizing linear curve fitting process. The procedures gave out exact expressions of each element of the rotation operators. The operators of spins greater than 2 are under study and will be published in a separate paper.

  1. Structural and catalytic characterization of mechanical mixtures of Pt/WOx-ZrO{sub 2} and Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Contreras, J.L., E-mail: jlcl@correo.azc.uam.m [Universidad Autonoma Metropolitana-Azcapotzalco, CBI, Dpto. Energia, Av. Sn. Pablo 180, Col. Reynosa, C.P. 02200, Mexico, DF (Mexico); Fuentes, G.A. [Universidad Autonoma Metropolitana-Iztapalapa, CBI, Depto. de IPH C.P. 09340, Mexico, DF (Mexico); Navarrete, J.; Vazquez, A. [Instituto Mexicano del Petroleo, IBP, Ger. de Catalizadores, Eje Central Lazaro Cardenas No. 152, C.P. 07300, Mexico, DF (Mexico); Zeifert, B.; Salmones, J. [Instituto Politecnico Nacional Mexico, ESIQIE, Laboratorio de Catalisis y Materiales, C.P. 07738, Mexico, DF (Mexico); Nuno, L. [Universidad Autonoma Metropolitana-Azcapotzalco, CBI, Dpto. Energia, Av. Sn. Pablo 180, Col. Reynosa, C.P. 02200, Mexico, DF (Mexico)

    2010-04-16

    The effect of the Bronsted/Lewis acid ratio on isomerization of n-heptane using Al{sub 2}O{sub 3} as a source of Lewis acidity and WOx/ZrO{sub 2} as a source of Bronsted and Lewis acidity was studied and controlled using mechanical mixtures of these solids. These mixtures were characterized by surface area, infrared spectroscopy of pyridine, X-ray diffraction and Raman spectroscopy. It was found that the presence of W=O stretching mode which was consistent with the presence of oxotungstate species which were the precursors of the acid sites. It was found out that as the oxotungstate structures increased, the selectivity to n-heptane isomers increased while the hydrocracking and dehydrocyclization selectivity decreased. The presence of Bronsted acidity of the WOx/ZrO{sub 2} domains, the increase of Knudsen diffusivity and the loss of Pt metallic area by strong interaction of the Pt with the WOx/ZrO{sub 2} explain this catalytic behavior.

  2. Mechanism of Catalytic Water Oxidation by the Ruthenium Blue Dimer Catalyst: Comparative Study in D2O versus H2O

    Directory of Open Access Journals (Sweden)

    Yulia Pushkar

    2013-01-01

    Full Text Available Water oxidation is critically important for the development of energy solutions based on the concept of artificial photosynthesis. In order to gain deeper insight into the mechanism of water oxidation, the catalytic cycle for the first designed water oxidation catalyst, cis,cis-[(bpy2(H2ORuIIIORuIII(OH2(bpy2]4+ (bpy is 2,2-bipyridine known as the blue dimer (BD, is monitored in D2O by combined application of stopped flow UV-Vis, electron paramagnetic resonance (EPR and resonance Raman spectroscopy on freeze quenched samples. The results of these studies show that the rate of formation of BD[4,5] by Ce(IV oxidation of BD[3,4] (numbers in square bracket denote oxidation states of the ruthenium (Ru centers in 0.1 M HNO3, as well as further oxidation of BD[4,5] are slower in D2O by 2.1–2.5. Ce(IV oxidation of BD[4,5] and reaction with H2O result in formation of an intermediate, BD[3,4]′, which builds up in reaction mixtures on the minute time scale. Combined results under the conditions of these experiments at pH 1 indicate that oxidation of BD[3,4]′ is a rate limiting step in water oxidation with the BD catalyst.

  3. A methodical approach to modelling the mechanical stability of metallic catalytic converter substrates; Methodische Vorgehensweise zur Modellierung der mechanischen Stabilitaet von metallischen Katalysatortraegern

    Energy Technology Data Exchange (ETDEWEB)

    Guist, C. [Bayerische Motoren Werke AG (BMW), Muenchen (Germany)

    2000-02-01

    Simulation is gaining increasing significance in automotive development, thanks to the advantages it brings with regard to cutting costs and reducing development time. A characteristic feature of simulation is that the solution is devised on a virtual plane, irrespective of the technical taks. Translating the technical system onto the virtual plane, or the modelling process, is critical to the outcome. This aspect is considered using the example of the simulation of the mechanical stability of metallic catalytic converter substrates (EMITEC) in a close-coupled arrangement on a BMW six-cylinder engine. The objective is to highlight the approach used in this process, as it is also transferable to other engineering tasks. (orig.) [German] Die Simulation nimmt aufgrund der sich dadurch bietenden Vorteile hinsichtlich Kosteneinsparung und Entwicklungszeitverkuerzung an Bedeutung bei der Fahrzeugentwicklung zu. Charakteristisch fuer die Simulation ist, dass die Loesung, unabhaengig von der technischen Aufgabenstellung, in der virtuellen Ebene erfolgt. Die Uebertragung des technischen Systems in die virtuelle Ebene, das Modellieren, stellt den erfolgsbestimmenden Schritt dar. Dieser Aspekt soll am Beispiel der Simulation der mechanischen Stabilitaet von metallischen Katalysatortraegern (Emitec) bei motornaher Anordnung an einem BMW-Sechszylindermotor betrachtet werden. Das Ziel ist, die dabei angewandte Methodik, die sich auch auf andere technische Aufgaben uebertragen laesst, darzustellen. (orig.)

  4. Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.

    Science.gov (United States)

    Zhao, Haiyan; Lin, Zihan; Lynn, Anna Y; Varnado, Brittany; Beutler, John A; Murelli, Ryan P; Le Grice, Stuart F J; Tang, Liang

    2015-12-15

    Many dsDNA viruses encode DNA-packaging terminases, each containing a nuclease domain that resolves concatemeric DNA into genome-length units. Terminase nucleases resemble the RNase H-superfamily nucleotidyltransferases in folds, and share a two-metal-ion catalytic mechanism. Here we show that residue K428 of a bacteriophage terminase gp2 nuclease domain mediates binding of the metal cofactor Mg(2+). A K428A mutation allows visualization, at high resolution, of a metal ion binding mode with a coupled-octahedral configuration at the active site, exhibiting an unusually short metal-metal distance of 2.42 Å. Such proximity of the two metal ions may play an essential role in catalysis by generating a highly positive electrostatic niche to enable formation of the negatively charged pentacovalent phosphate transition state, and provides the structural basis for distinguishing Mg(2+) from Ca(2+). Using a metal ion chelator β-thujaplicinol as a molecular probe, we observed a second mode of metal ion binding at the active site, mimicking the DNA binding state. Arrangement of the active site residues differs drastically from those in RNase H-like nucleases, suggesting a drifting of the active site configuration during evolution. The two distinct metal ion binding modes unveiled mechanistic details of the two-metal-ion catalysis at atomic resolution. PMID:26450964

  5. A proposed new mechanism for research and development co-operation

    International Nuclear Information System (INIS)

    Scientists in developing countries sometimes lack knowledge of recent developments, co-operation with advanced countries, and government appreciation of the importance and quality of their work. The present IAEA mechanisms like CRPs and TC projects are very helpful but do not fully meet R and D co-operation needs of these scientists. A new complementary mechanism of co-operation among the Member States is proposed that would utilize IAEA services through a suitable agreement. The IAEA could help to evaluate joint R and D proposals, to provide an example legal agreement, to monitor progress, to disseminate the results, and, in some cases, to administer joint funds. This new mechanism would be similar to ITER, but on a smaller scale, and applicable to all fields of nuclear R and D. (author)

  6. Catalytic mechanism of MraY and WecA, two paralogues of the polyprenyl-phosphate N-acetylhexosamine 1-phosphate transferase superfamily.

    Science.gov (United States)

    Al-Dabbagh, Bayan; Olatunji, Samir; Crouvoisier, Muriel; El Ghachi, Meriem; Blanot, Didier; Mengin-Lecreulx, Dominique; Bouhss, Ahmed

    2016-08-01

    The MraY transferase catalyzes the first membrane step of bacterial cell wall peptidoglycan biosynthesis, namely the transfer of the N-acetylmuramoyl-pentapeptide moiety of the cytoplasmic precursor UDP-MurNAc-pentapeptide to the membrane transporter undecaprenyl phosphate (C55P), yielding C55-PP-MurNAc-pentapeptide (lipid I). A paralogue of MraY, WecA, catalyzes the transfer of the phospho-GlcNAc moiety of UDP-N-acetylglucosamine onto the same lipid carrier, leading to the formation of C55-PP-GlcNAc that is essential for the synthesis of various bacterial cell envelope components. These two enzymes are members of the polyprenyl-phosphate N-acetylhexosamine 1-phosphate transferase superfamily, which are essential for bacterial envelope biogenesis. Despite the availability of detailed biochemical information on the MraY enzyme, and the recently published crystal structure of MraY of Aquifex aeolicus, the molecular basis for its catalysis remains poorly understood. This knowledge can contribute to the design of potential inhibitors. Here, we report a detailed catalytic study of the Bacillus subtilis MraY and Thermotoga maritima WecA transferases. Both forward and reverse exchange reactions required the presence of the second substrate, C55P and uridine monophosphate (UMP), respectively. Both enzymes did not display any pyrophosphatase activity on the nucleotide substrate. Moreover, we showed that the nucleotide substrate UDP-MurNAc-pentapeptide, as well as the nucleotide product UMP, can bind to MraY in the absence of lipid ligands. Therefore, our data are in favour of a single displacement mechanism. During this "one-step" mechanism, the oxyanion of the polyprenyl-phosphate attacks the β-phosphate of the nucleotide substrate, leading to the formation of lipid product and the liberation of UMP. The involvement of an invariant aspartyl residue in the deprotonation of the lipid substrate is discussed. PMID:27312048

  7. Estimating the temperature of a catalytic converter

    Energy Technology Data Exchange (ETDEWEB)

    Ma, T.T.-H.

    1994-11-02

    A method is described for estimating the temperature in a catalytic converter used in the exhaust system of an internal combustion engine. Pressure sensors monitor the flow resistance across the catalytic converter to provide an indication of the temperature inside. This feedback system allows heating devices to be switched off and thus avoid overheating, while maintaining the catalytic converter's efficiency by assuring that it does not operate below its light off temperature. (UK)

  8. Quantum Mechanical Version of z-Transform Related to Eigenkets of Boson Creation Operator

    Institute of Scientific and Technical Information of China (English)

    FANHong-Yi; FULiang; A.Wiinsche

    2004-01-01

    Using the completeness relation composed of the coherent state and of the eigenket of bosonic creation operator, we establish a one-to-one correspondence between the z-transform and the quantum-mechanical transform from the representation by number states |n) to the representation by coherent states |(z)) (Bargmann representation).In this way, the quantum-mechanical version of the various properties of z-transform are obtained and the operators for embodying these properties in the Fock space are derived, which may find applications in quantum states engineering.

  9. Electrochemical catalytic treatment of phenol wastewater

    International Nuclear Information System (INIS)

    The slurry bed catalytic treatment of contaminated water appears to be a promising alternative for the oxidation of aqueous organic pollutants. In this paper, the electrochemical oxidation of phenol in synthetic wastewater catalyzed by ferric sulfate and potassium permanganate adsorbed onto active bentonite in slurry bed electrolytic reactor with graphite electrode has been investigated. In order to determine the optimum operating condition, the orthogonal experiments were devised and the results revealed that the system of ferric sulfate, potassium permanganate and active bentonite showed a high catalytic efficiency on the process of electrochemical oxidation phenol in initial pH 5. When the initial concentration of phenol was 0.52 g/L (the initial COD 1214 mg/L), up to 99% chemical oxygen demand (COD) removal was obtained in 40 min. According to the experimental results, a possible mechanism of catalytic degradation of phenol was proposed. Environmental estimation was also done and the results showed that the treated wastewater have little impact on plant growth and could totally be applied to irrigation.

  10. The ReactorAFM: Non-contact atomic force microscope operating under high-pressure and high-temperature catalytic conditions

    Science.gov (United States)

    Roobol, S. B.; Cañas-Ventura, M. E.; Bergman, M.; van Spronsen, M. A.; Onderwaater, W. G.; van der Tuijn, P. C.; Koehler, R.; Ofitserov, A.; van Baarle, G. J. C.; Frenken, J. W. M.

    2015-03-01

    An Atomic Force Microscope (AFM) has been integrated in a miniature high-pressure flow reactor for in-situ observations of heterogeneous catalytic reactions under conditions similar to those of industrial processes. The AFM can image model catalysts such as those consisting of metal nanoparticles on flat oxide supports in a gas atmosphere up to 6 bar and at a temperature up to 600 K, while the catalytic activity can be measured using mass spectrometry. The high-pressure reactor is placed inside an Ultrahigh Vacuum (UHV) system to supplement it with standard UHV sample preparation and characterization techniques. To demonstrate that this instrument successfully bridges both the pressure gap and the materials gap, images have been recorded of supported palladium nanoparticles catalyzing the oxidation of carbon monoxide under high-pressure, high-temperature conditions.

  11. The ReactorAFM: Non-contact atomic force microscope operating under high-pressure and high-temperature catalytic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Roobol, S. B.; Cañas-Ventura, M. E.; Bergman, M.; Spronsen, M. A. van; Onderwaater, W. G.; Tuijn, P. C. van der; Koehler, R.; Frenken, J. W. M., E-mail: frenken@arcnl.nl [Huygens-Kamerlingh Onnes Laboratory, Leiden University, P.O. Box 9504, RA Leiden 2300 (Netherlands); Ofitserov, A.; Baarle, G. J. C. van [Leiden Probe Microscopy B.V., J.H. Oortweg 21, 2333 CH Leiden (Netherlands)

    2015-03-15

    An Atomic Force Microscope (AFM) has been integrated in a miniature high-pressure flow reactor for in-situ observations of heterogeneous catalytic reactions under conditions similar to those of industrial processes. The AFM can image model catalysts such as those consisting of metal nanoparticles on flat oxide supports in a gas atmosphere up to 6 bar and at a temperature up to 600 K, while the catalytic activity can be measured using mass spectrometry. The high-pressure reactor is placed inside an Ultrahigh Vacuum (UHV) system to supplement it with standard UHV sample preparation and characterization techniques. To demonstrate that this instrument successfully bridges both the pressure gap and the materials gap, images have been recorded of supported palladium nanoparticles catalyzing the oxidation of carbon monoxide under high-pressure, high-temperature conditions.

  12. Operational performance of the mechanized and semi-mechanized potato harvest Desempenho operacional da colheita mecanizada e semimecanizada de batata

    Directory of Open Access Journals (Sweden)

    João P. A. R. da Cunha

    2011-01-01

    Full Text Available Potato is an important crop plant throughout the world. Harvesting is a fundamental step in its production system. Maybe, it is the most complex and expensive operation. Thus, the objective of this work was to compare the cost of the mechanized and semi-mechanized harvest, the operational capacity and the production losses during the potato harvest process. The work was accomplished in a commercial farming, cultivated under pivot system, in the municipal district of Perdizes - MG, Brazil. A completely randomized design with two treatments was used: mechanized and semi-mechanized harvest. The mechanized harvest used a self-propelled harvester. In the semi-automated harvest, a digger mounted on tractor was used and the potato was manually harvested. It was concluded that the cost of mechanized harvest was 49.03% lower than the cost of semi-mechanized harvest. On average, the harvester had a work for 23 workers in manual harvest. Mechanized harvest showed losses of 2.35% of potato yield, while the semi-mechanized harvest showed losses of 6.32%.A batata é a cultura olerácea mais importante em todo o mundo. Dentre os processos que compõem seu sistema de produção, a colheita apresenta-se como etapa essencial, sendo uma das operações com maior custo agregado. O objetivo deste trabalho foi comparar a colheita mecanizada e semimecanizada da cultura da batata no que diz respeito aos custos, capacidade operacional e perdas de produção. O trabalho foi realizado em lavoura comercial, cultivada em área sob sistema de pivô central, no município de Perdizes-MG. O delineamento experimental utilizado foi o inteiramente casualizado, com dois tratamentos: colheita mecanizada e semimecanizada. A colheita mecanizada foi realizada utilizando-se de uma colhedora autopropelida. Na colheita semimecanizada, empregou-se um arrancador tratorizado seguido de catação manual. De acordo com os resultados, pôde-se concluir que o custo da colheita mecanizada foi 49

  13. Experimentation with the prototype of the PEC control rod operating mechanism (PCROM): washing activities and results

    International Nuclear Information System (INIS)

    Experimentation on prototypes of Pec components is presently being carried out at Casaccia Cre. This report shows the results of the first cycle of experimentation of the control rods operating mechanism prototype (Pcrom), concerning the aspects of sodium removal and the checks after experimentation. The activities carried out for the finalization of the washing procedure are also reported

  14. Co-Operative Phenomena as a Physical Paradigm for Special Relativity, Gravitation and Quantum Mechanics

    OpenAIRE

    Buonomano, Vincent

    2002-01-01

    We take Co-Operative Phenomena as a common physical conceptual base to speculate on the existence of a medium and the properties that it must have to physically understand some of the problems in Special Relativity, Gravitation and Quantum Mechanics.

  15. O-GlcNAcylation of protein kinase A catalytic subunits enhances its activity: a mechanism linked to learning and memory deficits in Alzheimer's disease.

    Science.gov (United States)

    Xie, Shutao; Jin, Nana; Gu, Jianlan; Shi, Jianhua; Sun, Jianming; Chu, Dandan; Zhang, Liang; Dai, Chun-Ling; Gu, Jin-Hua; Gong, Cheng-Xin; Iqbal, Khalid; Liu, Fei

    2016-06-01

    Alzheimer's disease (AD) is characterized clinically by memory loss and cognitive decline. Protein kinase A (PKA)-CREB signaling plays a critical role in learning and memory. It is known that glucose uptake and O-GlcNAcylation are reduced in AD brain. In this study, we found that PKA catalytic subunits (PKAcs) were posttranslationally modified by O-linked N-acetylglucosamine (O-GlcNAc). O-GlcNAcylation regulated the subcellular location of PKAcα and PKAcβ and enhanced their kinase activity. Upregulation of O-GlcNAcylation in metabolically active rat brain slices by O-(2-acetamido-2-deoxy-d-glucopyranosylidenamino) N-phenylcarbamate (PUGNAc), an inhibitor of N-acetylglucosaminidase, increased the phosphorylation of tau at the PKA site, Ser214, but not at the non-PKA site, Thr205. In contrast, in rat and mouse brains, downregulation of O-GlcNAcylation caused decreases in the phosphorylation of CREB at Ser133 and of tau at Ser214, but not at Thr205. Reduction in O-GlcNAcylation through intracerebroventricular injection of 6-diazo-5-oxo-l-norleucine (DON), the inhibitor of glutamine fructose-6-phosphate amidotransferase, suppressed PKA-CREB signaling and impaired learning and memory in mice. These results indicate that in addition to cAMP and phosphorylation, O-GlcNAcylation is a novel mechanism that regulates PKA-CREB signaling. Downregulation of O-GlcNAcylation suppresses PKA-CREB signaling and consequently causes learning and memory deficits in AD. PMID:26840030

  16. Microwave cavity piezo-opto-mechanical resonators based on film thickness modes operating beyond 10 GHz

    Science.gov (United States)

    Han, Xu; Tang, Hong

    Micromechanical resonators, which support and confine microwave frequency phonons on a scale comparable to optical wavelength, provide a valuable intermediate platform facilitating interactions among electrical, optical, and mechanical domains. High-frequency mechanical resonances ease the refrigeration conditions for reaching quantum mechanical ground state and also hold promise for practical device applications. However, efficient actuation of the highly stiff mechanical motions above gigahertz frequencies remains a challenging task. Here, we demonstrate a high-performance piezo-opto-mechanical resonator operating at 10.4 GHz by exploiting the acoustic thickness mode of an aluminum nitride micro-disk. In contrast to the in-plane mechanical modes, the thickness mode can be easily scaled to high frequencies with low mechanical and optical dissipations. A high f . Q product of 1 . 9 ×1013 ?Hz is achieved in ambient air at room temperature. Moreover, strong piezo-electro-mechanical coupling can be achieved by coupling the thickness mode with a microwave resonator, making it possible for coherent signal conversion. The thickness mode-based piezo-opto-mechanical resonators can be expected to serve as essential elements for advanced hybrid information networks.

  17. Difference of operation mechanisms in SWNTs network FETs studied via scanning gate microscopy

    International Nuclear Information System (INIS)

    Field effect transistors (FETs) whose channel is composed of a network of single wall carbon nanotubes (SWNTs) have been studied to investigate the mechanism of the device operation via scanning gate microscopy (SGM) at room temperature. We observed different SGM response in networks of SWNTs either synthesized by CoMoCAT process or semiconducting enriched by density gradient ultracentrifuge process. In the former case, SGM response was observed at specific inter-tube junctions suggesting a Schottky junction formed with semiconducting and metallic SWNTs in the network. In contrast, multiple concentric rings in the SGM response are observed within the tubes in a network of the latter SWNTs suggesting a possibility of quantum mechanical transport at room-temperature. Different type of SGM responses are confirmed in the two kinds of SWNTs networks, nevertheless such active positions would likely have an important role in the FET operation mechanism in each network

  18. Novel catalytic effects of Mn3O4 for all vanadium redox flow batteries.

    Science.gov (United States)

    Kim, Ki Jae; Park, Min-Sik; Kim, Jae-Hun; Hwang, Uk; Lee, Nam Jin; Jeong, Goojin; Kim, Young-Jun

    2012-06-01

    A new approach for enhancing the electrochemical performance of carbon felt electrodes by employing non-precious metal oxides is designed. The outstanding electro-catalytic activity and mechanical stability of Mn(3)O(4) are advantageous in facilitating the redox reaction of vanadium ions, leading to efficient operation of a vanadium redox flow battery. PMID:22540132

  19. Catalytic decomposition of gaseous 1,2-dichlorobenzene over CuOx/TiO₂ and CuOx/TiO₂-CNTs catalysts: Mechanism and PCDD/Fs formation.

    Science.gov (United States)

    Wang, Qiu-lin; Huang, Qun-xing; Wu, Hui-fan; Lu, Sheng-yong; Wu, Hai-long; Li, Xiao-dong; Yan, Jian-hua

    2016-02-01

    Gaseous 1,2-dichlorobenzene (1,2-DCBz) was catalytically decomposed in a fixed-bed catalytic reactor using composite copper-based titanium oxide (CuOx/TiO2) catalysts with different copper ratios. Carbon nanotubes (CNTs) were introduced to produce novel CuOx/TiO2-CNTs catalysts by the sol-gel method. The catalytic performances of CuOx/TiO2 and CuOx/TiO2-CNTs on 1,2-DCBz oxidative destruction under different temperatures (150-350 °C) were experimentally examined and the correlation between catalyst structure and catalytic activity was characterized and the role of oxygen in catalytic reaction was discussed. Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) generation during 1,2-DCBz catalytic oxidation by CuOx/TiO2-CNTs composite catalyst was also examined. Results indicate that the 1,2-DCBz destruction/removal efficiencies of CuOx (4 wt%)/TiO2 catalyst at 150 °C and 350 °C with a GHSV of 3400 h(-1) are 59% and 94% respectively and low-temperature (150 °C) catalytic activity of CuOx/TiO2 on 1,2-DCBz oxidation can be improved from 59 to 77% when CNTs are introduced. Furthermore, oxygen either in catalyst or from reaction atmosphere is indispensible in reaction. The former is offered to activate and oxidize the 1,2-DCBz adsorbed on catalyst, thus can be generally consumed during reaction and the oxygen content in catalyst is observed lost from 39.9 to 35.0 wt% after reacting under inert atmosphere; the latter may replenish the vacancy in catalyst created by the consumed oxygen thus extends the catalyst life and raises the destruction/removal efficiency. The introduction of CNTs also increases the Cu(2+)/Cu(+) ratio, chemisorbed oxygen concentration and surface lattice oxygen binding energy which are closely related with catalytic activity. PCDD/Fs is confirmed to be formed when 1,2-DCBz catalytically oxidized by CuOx/TiO2-CNTs composite catalyst with sufficient oxygen (21%), proper temperature (350 °C) and high concentration of 1,2-DCBz feed (120 ppm

  20. Organization and mechanization of maintenance operations at NPPs with the WWER type reactors

    International Nuclear Information System (INIS)

    The structure of capital investments defining organization and mechanization of maintepance operations at NPPs with the WWER type reactors is analyzed. The trends in development of optimum decisions for organization and mechanization of repair obs at NPPs being designed taking into account the prospects of nuclear powep enginerning development, the system of NPP maintenance servicing, as well as the structure of repair-productive capacities are discussed. On the basis of the analysis of the data obtained in designing the Zaporozhskaya NPP it is shown that the capital investments for organizing and mechanization of maintenance operations at the unified NPP site with four WWER-1000 reactors reach nearly 18 roubles/kW. A conclusion is drawn that at present the design of an NPP with the WWER-1000 reactor totally meets the requirements of realization of periodic maintenance operations. It is advisable to cooperate the NPP management with that of a thermal power station from the viewpoint of using manpower, which would improve the operating conditions and labour productivity of workers engaged in repair and, consequently, reduce the capital investments and repair expenditures

  1. Mechanical behaviour of PEM fuel cell catalyst layers during regular cell operation

    Energy Technology Data Exchange (ETDEWEB)

    Al-Baghdadi, Maher A.R. Sadiq [Fuel Cell Research Center, International Energy & Environment Foundation, Al-Najaf, P.O.Box 39 (Iraq)

    2010-07-01

    Damage mechanisms in a proton exchange membrane fuel cell are accelerated by mechanical stresses arising during fuel cell assembly (bolt assembling), and the stresses arise during fuel cell running, because it consists of the materials with different thermal expansion and swelling coefficients. Therefore, in order to acquire a complete understanding of the mechanical behaviour of the catalyst layers during regular cell operation, mechanical response under steady-state hygro-thermal stresses should be studied under real cell operating conditions and in real cell geometry (three-dimensional). In this work, full three-dimensional, non-isothermal computational fluid dynamics model of a PEM fuel cell has been developed to investigate the behaviour of the cathode and anode catalyst layers during the cell operation. A unique feature of the present model is to incorporate the effect of hygro and thermal stresses into actual three-dimensional fuel cell model. In addition, the temperature and humidity dependent material properties are utilize in the simulation for the membrane. The model is shown to be able to understand the many interacting, complex electrochemical, transport phenomena, and deformation that have limited experimental data.

  2. Mechanical behaviour of PEM fuel cell catalyst layers during regular cell operation

    Directory of Open Access Journals (Sweden)

    Maher A.R. Sadiq Al-Baghdadi

    2010-11-01

    Full Text Available Damage mechanisms in a proton exchange membrane fuel cell are accelerated by mechanical stresses arising during fuel cell assembly (bolt assembling, and the stresses arise during fuel cell running, because it consists of the materials with different thermal expansion and swelling coefficients. Therefore, in order to acquire a complete understanding of the mechanical behaviour of the catalyst layers during regular cell operation, mechanical response under steady-state hygro-thermal stresses should be studied under real cell operating conditions and in real cell geometry (three-dimensional. In this work, full three-dimensional, non-isothermal computational fluid dynamics model of a PEM fuel cell has been developed to investigate the behaviour of the cathode and anode catalyst layers during the cell operation. A unique feature of the present model is to incorporate the effect of hygro and thermal stresses into actual three-dimensional fuel cell model. In addition, the temperature and humidity dependent material properties are utilize in the simulation for the membrane. The model is shown to be able to understand the many interacting, complex electrochemical, transport phenomena, and deformation that have limited experimental data.

  3. Optimal mechanical harvester route planning for sugarcane f ield operations using particle swarm optimization

    Directory of Open Access Journals (Sweden)

    Woraya Neungmatcha

    2015-06-01

    Full Text Available Since current agricultural production systems such as the sugarcane supply system in the sugar industry are developing towards larger and more complicated systems, there is consequently increasing use of agricultural machinery. Even though mechanization can help to increase the sugarcane yield, if the mechanical operation efficiency is low, then higher harvest costs and machinery shortages will occur. Global route planning for mechanical harvesters is one of the most important problems in the field of sugarcane harvesting and transporting operations. Improved efficiency and realistic implementation can be achieved by applying advanced planning methods for the execution of field operations, especially considering the field accessibility aspect. To address this issue, participative research was undertaken with a sugar milling company to produce and implement a mixed integer programming model that represents the mechanical harvester route plan. Particle swarm optimization was applied to find a solution to the model, leading to potential cost savings versus schedules produced manually by the mill officer. The model was also applied to explore regional planning options for a more integrated harvesting and transport system.

  4. Investigation of mechanical properties and operative deformation mechanism in nano-crystalline Ni-Co/SiC electrodeposits

    Energy Technology Data Exchange (ETDEWEB)

    Lari Baghal, S.M. [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, P.O. Box 11155-4563, Tehran (Iran, Islamic Republic of); Amadeh, A., E-mail: amadeh@ut.ac.ir [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, P.O. Box 11155-4563, Tehran (Iran, Islamic Republic of); Heydarzadeh Sohi, M. [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, P.O. Box 11155-4563, Tehran (Iran, Islamic Republic of)

    2012-04-30

    Highlights: Black-Right-Pointing-Pointer The tensile properties of Ni-Co and Ni-Co/SiC deposits were investigated. Black-Right-Pointing-Pointer The SiC particles enhanced tensile strength and ductility of nano-structured composites. Black-Right-Pointing-Pointer The deformation mechanism at low and high strain rates were studied. - Abstract: Ni-Co/SiC nano-composites were prepared via electrodeposition from a modified Watts bath containing SiC particles with average particle size of 50 nm, SDS as surfactant and saccharin as grain refiner in appropriate amounts. The effect of nano-particle incorporation on microstructure, mechanical properties and deformation mechanism of electrodeposits were investigated. The mechanical properties of electrodeposits were investigated by Vickers microhardness and tensile tests. The results indicated that incorporation of SiC particles into a 15 nm Ni-Co matrix had no considerable effect on its microhardness and yield strength, that is, dispersion hardening did not operate in this range of grain size. However it was observed that co-deposition of uniform distributed SiC particles can significantly improve the ultimate tensile strength and elongation to failure of the deposits. Calculation of apparent activation volume from tensile test results at different strain rates proved that incorporation of SiC nano-particles are responsible for stress-assisted activation of GB atoms mechanism that can significantly increase the plasticity. Nano-crystalline Ni-Co matrix showed a mixed mod behavior of ductile and brittle fracture whereas incorporation of SiC particles and increasing the strain rate promoted ductile fracture mode.

  5. Estimated Mortality of Selected Migratory Bird Species from Mowing and Other Mechanical Operations in Canadian Agriculture

    Directory of Open Access Journals (Sweden)

    Joerg Tews

    2013-12-01

    Full Text Available Mechanical operations such as mowing, tilling, seeding, and harvesting are well-known sources of direct avian mortality in agricultural fields. However, there are currently no mortality rate estimates available for any species group or larger jurisdiction. Even reviews of sources of mortality in birds have failed to address mechanical disturbance in farm fields. To overcome this information gap we provide estimates of total mortality rates by mechanical operations for five selected species across Canada. In our step-by-step modeling approach we (i quantified the amount of various types of agricultural land in each Bird Conservation Region (BCR in Canada, (ii estimated population densities by region and agricultural habitat type for each selected species, (iii estimated the average timing of mechanical agricultural activities, egg laying, and fledging, (iv and used these values and additional demographical parameters to derive estimates of total mortality by species within each BCR. Based on our calculations the total annual estimated incidental take of young ranged from ~138,000 for Horned Lark (Eremophila alpestris to as much as ~941,000 for Savannah Sparrow (Passerculus sandwichensis. Net losses to the fall flight of birds, i.e., those birds that would have fledged successfully in the absence of mechanical disturbance, were, for example ~321,000 for Bobolink (Dolichonyx oryzivorus and ~483,000 for Savannah Sparrow. Although our estimates are subject to an unknown degree of uncertainty, this assessment is a very important first step because it provides a broad estimate of incidental take for a set of species that may be particularly vulnerable to mechanical operations and a starting point for future refinements of model parameters if and when they become available.

  6. Digital monitoring and health diagnosis for mechanical equipment operation safety based on fiber Bragg grating sensor

    Institute of Scientific and Technical Information of China (English)

    Zude ZHOU; Desheng JIANG; Quan LIU

    2009-01-01

    This paper introduces fiber Bragg grating (FBG) based on a fiber optic grating sensor developed to be embedded on mechanical equipment for digital monitoring and health diagnosis. The theoretical and experimental researches on the new-style FBG sensor (FBGS) technology, high-speed demodulation, and data transmission are discussed. The transmission characteristics between the FBG and the detection interface, modeling and compensation method for online distributed multi-parameter digital monitoring and methods for data processing, synchronous sampling, and long-term dynamic digital monitoring using embedded technology are also presented. The acquired information by an FBGS can be used for the optimization of maintenance schedules and refinement of mechanical equipment design. It is a chal-lenge to gather real-time data from components working at high speed and in a severe environment of high temperature, high pressure, and high rotation speed. Currently, there are no sensors or technologies available for digital monitoring and health diagnosis under this rigorous situation for use in mechanical engineering operation safety. As a result, this paper introduces an online distributed and integrated digital monitoring system and health diagnosis. The new principle and new method will contribute to modem measurements in science and technology, mechanical engineering, and large mechanical equipment operation safety.

  7. Main mechanisms of material properties degradation under reactor pressure vessel operating conditions

    International Nuclear Information System (INIS)

    In the process of NPP equipment operation materials are subjected to a prolonged influence of loads, associated with the variation of inner pressure and temperature under various conditions. Each equipment element damage is associated with some material fracture mechanism. For NPP equipment the mechanisms of irreversible damage accumulation are related with: irradiation embrittlement, thermal and strain aging, fatigue damages from mechanical and thermal loading, stress corrosion and fatigue corrosion, creep and thermal relaxation stresses, erosion and weak, thermal shock. The basic tasks of specialists working in the sphere of the provision of reliability and service life of nuclear power equipment are not only the determination of the main mechanisms of damages and reasons of their appearance, but also the study of methods which would permit to control these properties completely. By giving some examples of Russian NPP equipment with VVER-440 and VVER-1000 reactors the paper presents most typical degradation mechanisms of equipment material properties, including weldments, in the process of operation and methods to recover by using various technological means. (author)

  8. Subthreshold pion production: Nucleon-nucleon single collision vs. co-operative mechanisms

    International Nuclear Information System (INIS)

    Various reaction mechanisms proposed to explain the pion production at ''subthreshold'' energies (below 290 MeV/A) are examined. They range from the nucleon-nucleon single collision mechanism to a co-operative multi-nucleon process. With a shell model prescription for the initial state energies the single collision picture can not explain the data. The participation of many nucleons in the pion production process appears to be necessary. We present a statistical model where the co-operative action of several of the target and projectile nucleons in the pion production process is invoked. We also consider the formation of the fragments in the final channel alongside the produced pion. Calculations performed within the model provide a good overall description of the experimental data over a wide range of beam energies and masses of the participating nuclei. Fragment formation in the final channel is seen to be vital to understand the experimental data within our model. (orig.)

  9. Operation Mechanism of Farmers’ Professional Cooperatives from the Point of Low-Carbon Agricultural Products

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    We firstly take a look at internal logic of cluster development of low-carbon agricultural products.In combination with operation features of farmers’ professional cooperatives and actual requirements for cluster development of low-carbon agricultural products;we elaborate establishing benefit allocation mechanism,bearing education and training functions,forming low-carbon value,building low-carbon identification system,as well as realizing low-carbon value.According to these situations,we systematically analyze operation mechanism of farmers’ professional cooperatives suitable for cluster development of low-carbon agricultural products.To promote cluster development of low-carbon agricultural products,we put forward following suggestions,including government guidance and encouragement,social acceptance and active cooperation,and integration into global low-carbon development system to share benefit of low-carbon development.

  10. Dynamic analysis and design of a high voltage circuit breaker with spring operating mechanism

    International Nuclear Information System (INIS)

    Spring Operating Mechanism (SOM) is a dynamic system to open and close the circuit breaker in a voltage controlling system. For a high-speed action of opening and closing within a few mili-seconds, a SOM consists of many links, joints, chains, and cams. Thus, various dynamic characteristics are occurred, especially large contact forces between the cam and the roller, the shaft and the stopper. To save time and money for a new design of SOM system, analysis of the mechanism is necessary. In this paper, a multibody dynamic analysis and test technique was applied for a SOM to predict, estimate and validate forces occurring during the operation. For the multibody dynamic analysis, the ADAMS program was employed for 145kV circuit breaker with a SOM. For an accurate modeling, several components were sequentially added and the reliability of modeling was validated through the comparison with test data of opening and closing

  11. Catalytic distillation water recovery subsystem

    Science.gov (United States)

    Budininkas, P.; Rasouli, F.

    1985-01-01

    An integrated engineering breadboard subsystem for the recovery of potable water from untreated urine based on the vapor phase catalytic ammonia removal was designed, fabricated and tested. Unlike other evaporative methods, this process catalytically oxidizes ammonia and volatile hydrocarbons vaporizing with water to innocuous products; therefore, no pretreatment of urine is required. Since the subsystem is fabricated from commercially available components, its volume, weight and power requirements are not optimized; however, it is suitable for zero-g operation. The testing program consists of parametric tests, one month of daily tests and a continuous test of 168 hours duration. The recovered water is clear, odorless, low in ammonia and organic carbon, and requires only an adjustment of its pH to meet potable water standards. The obtained data indicate that the vapor phase catalytic ammonia removal process, if further developed, would also be competitive with other water recovery systems in weight, volume and power requirements.

  12. Combination study of operation characteristics and heat transfer mechanism for pulsating heat pipe

    International Nuclear Information System (INIS)

    Pulsating heat pipe (PHP) is becoming a promising heat transfer device for the application like electronics cooling. However, due to its complicated operation mechanism, the heat transfer properties of the PHP still have not been fully understood. This study experimentally investigated on a closed-loop PHP charged with four types of working fluids, deionized water, methanol, ethanol and acetone. Combined with the visualization experimental results from the open literature, the operation characteristics and the corresponding heat transfer mechanisms for different heat inputs (5 W up to 100 W) and different filling ratios (20% up to 95%) have been presented and elaborated. The results show that heat-transfer mechanism changed with the transition of operation patterns; before valid oscillation started, the thermal resistance was not like that described in the open literature where it decreased almost linearly, but would rather slowdown descending or even change into rise first before further decreasing (i.e. an inflection point existed); when the heat input further increased to certain level, e.g. 65 W or above, there presented a limit of heat-transfer performance which was independent of the types of working fluids and the filling ratios, but may be related to the structure, the material, the size and the inclination of the PHP. - Highlights: •The thermal mechanisms altered accordingly with the operation features in the PHP. •Unlike conventional heat pipes, continuous temperature soaring would not happen in the PHP. •Before the oscillation start-up, there existed a heat-transfer limit for the relatively stagnated flow in the PHP. •A limit of thermal performance existed in the PHP at relatively high heat inputs

  13. Operative Mechanism Model for the Organizational Learning in MPYMES of the Commercial Sector

    Directory of Open Access Journals (Sweden)

    Gilberto López Orozco

    2010-05-01

    Full Text Available In the work the design of an operative mechanism model of organizational learning for MPYMES of the commercial sector is exposed. The model is developed in six phases: previous phase, direction to the learning, share the tacit knowledge, create concepts, justify the concepts, construct an archetype, expand the knowledge. The procedure of proposed learning allows to manage the knowledge of the organization to establish the procedures of work of the manuals of procedures of the organization.

  14. Determination of the Mechanization Level For Forestry Operations by Linear Programming

    OpenAIRE

    GÜL, A. Uğur; Acar, H. Hulusi; TOPALAK, Özgür

    2000-01-01

    Forestry operations take place under various variables and partly uncontrolled factors. The lack of mechanization level and its application cause quantity and quality losses during production. In this study, seven different production methods were used for felling, logging and barking to determine the best of production method for the Kale region. Seven different models were set up and solved by linear programming for this purpose. Each of these solutions were used with different producti...

  15. Fuel failure in normal operation of water reactors: Experience, mechanisms and management

    International Nuclear Information System (INIS)

    The meeting focused on reviewing the present knowledge of the causes and mechanisms of fuel failure and discussed the methods for detecting failures and management of failed fuel during and after operation. About 50 specialists from 13 countries attended the meeting and 25 papers in five sessions. 12 papers were presented and discussed in a poster session. A separate abstract was prepared for each of these papers. Refs, figs, tabs, photos and diagrams

  16. The origin of the algebra of quantum operators in the stochastic formulation of quantum mechanics

    OpenAIRE

    Davidson, Mark P.

    2001-01-01

    The origin of the algebra of the non-commuting operators of quantum mechanics is explained in the general Fenyes-Nelson stochastic models in which the diffusion constant is a free parameter. This is achieved by continuing the diffusion constant to imaginary values, a continuation which destroys the physical interpretation, but does not affect experimental predictions. This continuation leads to great mathematical simplification in the stochastic theory, and to an understanding of the entire m...

  17. Data Buoy powered by a thermo-mechanical generator: results of a year's operation at sea

    International Nuclear Information System (INIS)

    The UK National Data Buoy is powered by a prototype thermo-mechanical generator. This power source delivers 20 to 25 watts electrical and requires several times less fuel than an equivalent propane-heated thermo-electric power source, so that fuel for 21/2 years' operation can be carried on the Buoy. The Buoy has been stationed in the North Sea off the East Coast of England since December 1975, and operating experience with the TMG in the succeeding year is described. Such problems as have been encountered have been mainly peripheral in nature, and the TMG has been running for about 90 percent of the maximum time possible. Operating experience with other similar generators are discussed, and recent development of a 60W TMG is outlined

  18. Design and testing of a roto-translational shutter mechanism for planetary operation

    Science.gov (United States)

    Scaccabarozzi, Diego; Saggin, Bortolino; Alberti, Edoardo

    2014-01-01

    This work describes the design and testing of a shutter mechanism for a miniaturized infrared spectrometer developed for the ESA ExoMars Pasteur mission. Unlike most usual cover mechanisms, the conceived one provides a roto-translational motion. This feature allows the sealing of the interferometer main entrance window from dust contamination, in addition to the usual function of shuttering the instrument field of view. Although this characteristic is strongly desired because it avoids dust deposition and optics contamination while the instrument is not operating, it makes the mechanism design significantly more complex. Moreover, challenging design constraints were faced: the mass budget allowed for no more than 30 g allocation, the expected working thermal range extended down to -80 °C and high vibration levels with an acceleration peak of 670 m/s2 were predicted during Mars landing. To complete the picture, the mechanism cover was required to provide also a calibration target for the 2-25 μm spectral range of the spectrometer. The resulting system is made by a calibrating/shutter cover moved by a purposely designed out of plane cams system which provides the desired motion. A mechanism mockup was assembled and successfully tested in the predicted thermal and mechanical environments.

  19. Study of Drive Mechanisms of Bicycle, Tricycle or Like Vehicles to Optimize Operating Performance - A Review

    Directory of Open Access Journals (Sweden)

    Rahul U. Urunkar

    2014-01-01

    Full Text Available A cycle or cycle rickshaw is a small-scale local means of transport. Cycle rickshaws are human-powered, a type of tricycle designed to carry passengers in addition to the driver. Tricycles are used primarily for commercial transportation. Various locally made configurations of bicycle or tricycle are available. The present form of cycle has many shortcomings. One of the major problems faced by available bicycle or tricycle is its less efficiency or mechanical advantage. This paper reviews patent (which are now open for public access and experimental work brought by researchers on drive mechanism of cycle in order to optimize its operating performance. An individual idea or any possible combination of different ideas can be used for optimizing performance of driving mechanism for cycle.

  20. Novel Catalytic Membrane Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Stuart Nemser, PhD

    2010-10-01

    There are many industrial catalytic organic reversible reactions with amines or alcohols that have water as one of the products. Many of these reactions are homogeneously catalyzed. In all cases removal of water facilitates the reaction and produces more of the desired chemical product. By shifting the reaction to right we produce more chemical product with little or no additional capital investment. Many of these reactions can also relate to bioprocesses. Given the large number of water-organic compound separations achievable and the ability of the Compact Membrane Systems, Inc. (CMS) perfluoro membranes to withstand these harsh operating conditions, this is an ideal demonstration system for the water-of-reaction removal using a membrane reactor. Enhanced reaction synthesis is consistent with the DOE objective to lower the energy intensity of U.S. industry 25% by 2017 in accord with the Energy Policy Act of 2005 and to improve the United States manufacturing competitiveness. The objective of this program is to develop the platform technology for enhancing homogeneous catalytic chemical syntheses.

  1. Mechanical interaction between fuel and cladding during normal transient operating conditions

    International Nuclear Information System (INIS)

    In order to avoid pin failure, it is necessary to be sure that the operating conditions will not induce in the cladding some damaging form of deformation. Stresses and strains taking place in the cladding have different origins. 1. The cladding deformation due to fission gas pressure occurs by irradiation creep and this is not a damaging strain. 2. The thermal stresses induced in the cladding at the beginning of life by the thermal gradient relax rapidly by thermal and irradiation creep. The resulting damage is negligible. 3. Stresses induced by the swelling gradient in the thickness of the cladding probably relax by irradiation creep. But we cannot be sure that the swelling laws deduced from axial profile still apply in the cladding thickness. In particular the influence of stress on swelling is not yet well known. 4. Analysis of fuel-cladding mechanical interaction (FCHI) shows that during steady-state operation it is very unlikely a damaging form of strain due to FCHI to take place in the cladding. It is only during non-steady state operation at power increase that such a strain can occur. Therefore two types of operating conditions may be feared the increase to full power after continued operation at reduced power and the load follow power cycling

  2. Study of the neuroendocrine and immunologic mechanism of fatigue caused by military operations

    Directory of Open Access Journals (Sweden)

    Xin LI

    2012-01-01

    Full Text Available Objective  To observe the regularity of the changes in neuroendocrine-immune system caused by fatigue due to military operations, and explore the mechanism by which fatigue occurs in military operations. Methods  The subjects were 240 soldiers belonging to a field artillery force. The medical history and physical examination were taken before military operations, and fatigue assessment scale was accomplished as well. The following variables were measured in all the subjects: pituitary-adrenal [adrenocorticotropic hormone (ACTH, cortical hormone (B, 24-h urinary free cortisol (UFC], pituitary-gonadal [luteinizing hormone (LH, testosterone (T, estradiol (E2], pituitary-thyroid functions [serum thyroid stimulating hormone (TSH, tetraiodothyronine (TT4, triiodothyronine (TT3, free thyroxine (FT4, and free triiodothyronine (FT3], and cellular immune parameters (CD3+, CD4+, CD8+, CD4+/CD8+, B, NK. After 7 d of large-scale and high-intensity field exercises, the above variables were again measured in all the subjects. Results  After high-intensity military operations, the unpleasant feelings were significantly increased, and the compulsive and psychotic scores significantly decreased in the soldiers. In addition, the pituitary-adrenal and pituitary-gonadal hormone levels also decreased (all PPPConclusion  The depressed psychological tolerance in soldiers is the psychological factor of fatigue after a high-intensity military operation. The hypocorticoidism and inhibition of hypothalamic-pituitary-gonadal axis are the pathophysiological basis of military operation fatigue. Suppression of immune function is an important reason for an increase of susceptibility to disease after high-intensity military operations.

  3. Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.

    Science.gov (United States)

    Wang, Peng; Chen, Xiu-Lan; Li, Chun-Yang; Gao, Xiang; Zhu, De-yu; Xie, Bin-Bin; Qin, Qi-Long; Zhang, Xi-Ying; Su, Hai-Nan; Zhou, Bai-Cheng; Xun, Lu-ying; Zhang, Yu-Zhong

    2015-10-01

    The microbial cleavage of dimethylsulfoniopropionate (DMSP) generates volatile dimethyl sulfide (DMS) and is an important step in global sulfur and carbon cycles. DddP is a DMSP lyase in marine bacteria, and the deduced dddP gene product is abundant in marine metagenomic data sets. However, DddP belongs to the M24 peptidase family according to sequence alignment. Peptidases hydrolyze C-N bonds, but DddP is deduced to cleave C-S bonds. Mechanisms responsible for this striking functional shift are currently unknown. We determined the structures of DMSP lyase RlDddP (the DddP from Ruegeria lacuscaerulensis ITI_1157) bound to inhibitory 2-(N-morpholino) ethanesulfonic acid or PO4 (3-) and of two mutants of RlDddP bound to acrylate. Based on structural, mutational and biochemical analyses, we characterized a new ion-shift catalytic mechanism of RlDddP for DMSP cleavage. Furthermore, we suggested the structural mechanism leading to the loss of peptidase activity and the subsequent development of DMSP lyase activity in DddP. This study sheds light on the catalytic mechanism and the divergent evolution of DddP, leading to a better understanding of marine bacterial DMSP catabolism and global DMS production. PMID:26154071

  4. Crystal structure of the N-acetyltransferase domain of human N-acetyl-L-glutamate synthase in complex with N-acetyl-L-glutamate provides insights into its catalytic and regulatory mechanisms.

    Directory of Open Access Journals (Sweden)

    Gengxiang Zhao

    Full Text Available N-acetylglutamate synthase (NAGS catalyzes the conversion of AcCoA and L-glutamate to CoA and N-acetyl-L-glutamate (NAG, an obligate cofactor for carbamyl phosphate synthetase I (CPSI in the urea cycle. NAGS deficiency results in elevated levels of plasma ammonia which is neurotoxic. We report herein the first crystal structure of human NAGS, that of the catalytic N-acetyltransferase (hNAT domain with N-acetyl-L-glutamate bound at 2.1 Å resolution. Functional studies indicate that the hNAT domain retains catalytic activity in the absence of the amino acid kinase (AAK domain. Instead, the major functions of the AAK domain appear to be providing a binding site for the allosteric activator, L-arginine, and an N-terminal proline-rich motif that is likely to function in signal transduction to CPS1. Crystalline hNAT forms a dimer similar to the NAT-NAT dimers that form in crystals of bifunctional N-acetylglutamate synthase/kinase (NAGS/K from Maricaulis maris and also exists as a dimer in solution. The structure of the NAG binding site, in combination with mutagenesis studies, provide insights into the catalytic mechanism. We also show that native NAGS from human and mouse exists in tetrameric form, similar to those of bifunctional NAGS/K.

  5. Crystal structure of the N-acetyltransferase domain of human N-acetyl-L-glutamate synthase in complex with N-acetyl-L-glutamate provides insights into its catalytic and regulatory mechanisms.

    Science.gov (United States)

    Zhao, Gengxiang; Jin, Zhongmin; Allewell, Norma M; Tuchman, Mendel; Shi, Dashuang

    2013-01-01

    N-acetylglutamate synthase (NAGS) catalyzes the conversion of AcCoA and L-glutamate to CoA and N-acetyl-L-glutamate (NAG), an obligate cofactor for carbamyl phosphate synthetase I (CPSI) in the urea cycle. NAGS deficiency results in elevated levels of plasma ammonia which is neurotoxic. We report herein the first crystal structure of human NAGS, that of the catalytic N-acetyltransferase (hNAT) domain with N-acetyl-L-glutamate bound at 2.1 Å resolution. Functional studies indicate that the hNAT domain retains catalytic activity in the absence of the amino acid kinase (AAK) domain. Instead, the major functions of the AAK domain appear to be providing a binding site for the allosteric activator, L-arginine, and an N-terminal proline-rich motif that is likely to function in signal transduction to CPS1. Crystalline hNAT forms a dimer similar to the NAT-NAT dimers that form in crystals of bifunctional N-acetylglutamate synthase/kinase (NAGS/K) from Maricaulis maris and also exists as a dimer in solution. The structure of the NAG binding site, in combination with mutagenesis studies, provide insights into the catalytic mechanism. We also show that native NAGS from human and mouse exists in tetrameric form, similar to those of bifunctional NAGS/K. PMID:23894642

  6. Flight Performance Handbook for Orbital Operations: Orbital Mechanics and Astrodynamics Formulae, Theorems, Techniques, and Applications

    Science.gov (United States)

    Ambrosio, Alphonso; Blitzer, Leon; Conte, S.D.; Cooper, Donald H.; Dergarabedian, P.; Dethlefsen, D.G.; Lunn, Richard L.; Ireland, Richard O.; Jensen, Arnold A.; Kang, Garfield; Levy, Ezra C.; Liu, Anthony; Marcus, Silvia R.; Mickelwait, A.B.; Moe, Kenneth; Moe, Mildred M.; Pitton, A.R.; Scheuer, Ernest M.; Tompkins, E.H.; Weiser, Peter B.; Whitford, R.K.; Wolverton, R.W.

    1961-01-01

    This handbook provides parametric data useful both to the space vehicle designer and mission analyst. It provides numerical and analytical relationships between missions and gross vehicle characteristics as a function of performance parameters. The effects of missile constraints and gross guidance limitations plus operational constraints such as launch site location, tracking net location, orbit visibility and mission on trajectory and orbit design parameters are exhibited. The influence of state-of- the-art applications of solar power as compared to future applications of nuclear power on orbit design parameters, such as eclipse time, are among the parameters included in the study. The principal aim, however, is in providing the analyst with useful parametric design information to cover the general area of earth satellite missions in the region of near-earth to cislunar space and beyond and from injection to atmospheric entry and controlled descent. The chapters are organized around the central idea of orbital operations in the 1961-1969 era with emphasis on parametric flight mechanics studies for ascent phase and parking orbits, transfer maneuvers, rendezvous maneuver, operational orbit considerations, and operational orbit control. The results are based almost entirely on the principles of flight and celestial mechanics. Numerous practical examples have been worked out in detail. This is especially important where it has been difficult or impossible to represent all possible variations of the parameters. The handbook contains analytical formulae and sufficient textual material to permit their proper use. The analytic methods consist of both exact and rapid, approximate methods. Scores of tables, working graphs and illustrations amplify the mathematical models which, together with important facts and data, cover the engineering and scientific applications of orbital mechanics. Each of the five major chapters are arranged to provide a rapid review of an entire

  7. Control by some operating mechanisms in experimental installations TEXT, DVR on the IBR-2, IBR-30 reactors

    International Nuclear Information System (INIS)

    Control units for pitch engines and operating mechanisms, applied in high-resolution diffractometers and MURN spectrometers installed in the IBR-2 and IBR-30 reactors are described. The program interfaces and adapters for the operating mechanisms control are considered. The control units are created on the basis of the PC in the CAMAC standard. 5 refs.; 2 figs

  8. Catalytic oxidation of volatile organic compounds (VOCs) - A review

    Science.gov (United States)

    Kamal, Muhammad Shahzad; Razzak, Shaikh A.; Hossain, Mohammad M.

    2016-09-01

    Emission of volatile organic compounds (VOCs) is one of the major contributors to air pollution. The main sources of VOCs are petroleum refineries, fuel combustions, chemical industries, decomposition in the biosphere and biomass, pharmaceutical plants, automobile industries, textile manufacturers, solvents processes, cleaning products, printing presses, insulating materials, office supplies, printers etc. The most common VOCs are halogenated compounds, aldehydes, alcohols, ketones, aromatic compounds, and ethers. High concentrations of these VOCs can cause irritations, nausea, dizziness, and headaches. Some VOCs are also carcinogenic for both humans and animals. Therefore, it is crucial to minimize the emission of VOCs. Among the available technologies, the catalytic oxidation of VOCs is the most popular because of its versatility of handling a range of organic emissions under mild operating conditions. Due to that fact, there are numerous research initiatives focused on developing advanced technologies for the catalytic destruction of VOCs. This review discusses recent developments in catalytic systems for the destruction of VOCs. Review also describes various VOCs and their sources of emission, mechanisms of catalytic destruction, the causes of catalyst deactivation, and catalyst regeneration methods.

  9. Mechanism of catalytic electroreduction of In(3) ions in the presence of thiourea, cysteine, thiosemicarbazide, and finding stability constants of corresponding indium complexes

    International Nuclear Information System (INIS)

    The electrochemical reduction of In(3) ions at a dropping mercury electrode is studied. The reduction is catalyzed by thiourea, cysteine, and thiosemicarbazide. The catalytic effect is caused by the surface chemical reaction of formation and reduction of a polarographically active complex [In(L)sub(ads)sup(3+)] (thiourea and thiosemicarbazide) and complexes [In(Lsup(+-))sub(ads)sup(3+)], In(Lsup(+-))sub(ads)sup(2+) (cysteine). For the thiourea and thiosemicarbazide, this is a reaction with the sulphur atom, for cysteine - with the thiol group anion. The catalytic activity of ligands grows in the series thiourea < cysteine < thiosemicarbazide. The process rate is decreased with growing hydrogen ion concentration. Effective constants of complex stability are determined and kinetic reaction parameters are obtained

  10. Carboxylic acid derivatives via catalytic carboxylation of unsaturated hydrocarbons: whether the nature of a reductant may determine the mechanism of CO2 incorporation?

    OpenAIRE

    Kirillov, E.; Carpentier, J.-F.; Bunel, E

    2015-01-01

    International audience Application of CO2 as a renewable feedstock and C1 building block for prodn. of commodity and fine chems. is a highly challenging but obvious industry-relevant task. Of particular interest is the catalytic coupling of CO2 with inexpensive unsatd. hydrocarbons (olefins, dienes, styrenes, alkynes), providing direct access to carboxylic acids and their derivs. Although not brand new for the scientific community, it is still a complete challenge, as no truly effective ca...

  11. Thermo-mechanical calculations on operation temperature limits of tungsten as plasma facing material

    International Nuclear Information System (INIS)

    Tungsten is a candidate material as a plasma facing material in the next step fusion devices. The material surface will be exposed to transient heat loads as well as steady-state heat loads. The present work describes the thermo-mechanical analysis of tungsten by finite element calculation. It is shown that tungsten has a strict operational temperature limit under transient heat loads. For the ITER-grade W, the operation limit of the base surface-temperature was calculated to be in a range of 400-780 deg. C under an applied transient heat load of 0.2 GW/m2 for 0.5 ms in order to avoid plastic deformation of W

  12. Heat transfer analysis of a programmable Josephson voltage standard chip operated with a mechanical cooler

    Science.gov (United States)

    Takahashi, Hikari; Maruyama, Michitaka; Amagai, Yasutaka; Yamamori, Hirotake; Kaneko, Nobu-hisa; Kiryu, Shogo

    2015-11-01

    We are developing a 10 V programmable Josephson voltage standard (PJVS) system using a 10 K mechanical cooler that enables liquid-helium-free operation. In our previous experiments, we identified a problem that the optimum bias operating points may be affected by the heating effect of the chip depending on the output voltage. In this study, we have observed cross-sectional and in-plane structures of the PJVS chip module in order to determine the cause of the heating effect. We perform a heat transfer analysis using the finite element method with several models based on the observation results. We confirm a temperature increase of approximately 100 mK at the chip surface, due mainly to unintended voids in the InSn solder.

  13. An overview of current research on EU ETS: Evidence from its operating mechanism and economic effect

    International Nuclear Information System (INIS)

    The European Union Emissions Trading Scheme (EU ETS) is supposed to be an important mechanism for addressing climate change. Up to now, the theoretical foundation of EU ETS has been widely acknowledged, but empirical research on its current situation has only been published recently or is forthcoming. Therefore, this paper is aimed to summarize the main arguments of empirical studies on the EU ETS, in terms of two aspects, i.e., the operating mechanism and economic effect of the EU ETS, which are two crucial topics and have been attached much attention. Based on the shortcomings of current research and future requirements of the EU ETS evolution, finally, we also present some further directions of the EU ETS research. Overall, the research overview here may be helpful to recognize the features of the EU ETS and its effect on others. (author)

  14. Analysis of Information Sharing Mechanism in the Food Industry Green Supply Chain Management and Operation Process

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    In order to effectively address the issues of environmental pollution and food safety in food industry,the green supply chain management should be used in the food industry.However,information sharing is the basis of supply chain management.For this purpose,on the basis of describing the connotation of food industry green supply chain management,the paper introduces the contents and the effects of information sharing mode in detail.It focuses on the barriers of the implementation of information-sharing mechanisms in the food industry green supply chain management and operation process and analyzes the necessity of using information sharing mechanism among the members of the food industry green supply chain management mode by game theory,so as to strengthen the competitiveness of enterprises through supply chain management.

  15. Study of the internal mechanisms of Pixelized Photon Detectors operated in Geiger-mode

    OpenAIRE

    Otono, H.(Department of Physics, Kyushu University, Fukuoka, Japan); Oide, H.; Yamashita, S.; Yoshioka, T.; Yamamoto, K; Yamamura, K; Sato, K.

    2008-01-01

    In the 1990s, a novel semiconductor photon-sensor operated in Geiger-mode was invented in Russia (Silicon PhotoMultiplier), which consists of many tiny pixels and has a single photon level sensitivity. Since then, various types of the sensor with this scheme, Pixelized Photon Detectors (PPD), have been developed in many places in the world. For instance, Hamamatsu Photonics K.K. in Japan produces the PPD as a Multi-Pixel Photon Counter. While the internal mechanisms of the PPD have been inten...

  16. LORETA Neurofeedback in the Precuneus: Operant Conditioning in Basic Mechanisms of Self-Regulation.

    Science.gov (United States)

    Cannon, Rex L; Baldwin, Debora R; Diloreto, Dominic J; Phillips, Sherman T; Shaw, Tiffany L; Levy, Jacob J

    2014-03-01

    Low-resolution brain electomagnetic tomography (LORETA) neurofeedback provides a mechanism to influence the electrical activity of the brain in intracranial space. The aim of this study was to determine the effects of LORETA neurofeedback (LNFB) in the precuneus as a mechanism for improving self-regulation in controls and a heterogeneous diagnostic group (DX). Thirteen participants completed between 10 and 20 sessions of LNFB training in a 3-voxel cluster in the left precuneus. The participants included 5 nonclinical university students, and 8 adults with heterogeneous psychiatric diagnoses. We assessed the effects of LNFB with neurophysiological measures as well as pre- and post-Personality Assessment Inventory (PAI) subscales and selected subtests from the Delis-Kaplan Executive Function System (DKEFS). There was a significant total relative power increase at the precuneus for baseline contrasts for the control group. The DX group did not reach significant levels. All participants showed improvements in executive functions and tended to report significantly less psychopathology. The basic neural mechanisms of self-regulation are poorly understood. The data obtained in this study demonstrate that LNFB in a heterogeneous population enhances executive functions while concordantly decreasing endorsement of psychological symptoms. The alpha frequency in the brain may represent integrative functioning relative to operant efficiency and self-regulatory mechanisms. PMID:24590872

  17. Catalytic converter for next generation turbine engines

    Energy Technology Data Exchange (ETDEWEB)

    Saruhan, B.; Schulz, U.; Leyens, C. [German Aerospace Center (DLR), Inst. of Materials Research, Cologne (Germany)

    2004-07-01

    EB-PVD thermal barrier coatings (TBCs) are used on advanced turbine blades to increase the engine efficiency and improve the blade performance. partially yttria stabilized zirconia (PYSZ) is the standard material for current TBC applications. Lower thermal stability of the PYSZ-based TBCs, however, seriously affects the performance at demanding service temperatures. For the new generation turbines where higher operating gas temperatures (> 1200 C) are to expect, the performance of turbine blades can be improved by replacing the state-art-of-material PYSZ with superior thermal barrier coatings which belong to different crystal structures such as magnetoplumbite. Magnetoplumbite structure through its interlocking grain morphology and unique crystal structure provides essentially a sintering resistant, low thermal conductive layer, but also imparts a catalytic layer to reduce the environmentally harmful substances produced during propulsion and increase the catalytic performance. The complex structures of these compounds make it difficult to realize by conventional methods and requires careful adjustment of process parameters. The morphology and crystallographic aspects of these coatings as well as the mechanisms controlling the improvement are highlighted. (orig.)

  18. Catalytic converter for next generation turbine engines

    International Nuclear Information System (INIS)

    EB-PVD thermal barrier coatings (TBCs) are used on advanced turbine blades to increase the engine efficiency and improve the blade performance. partially yttria stabilized zirconia (PYSZ) is the standard material for current TBC applications. Lower thermal stability of the PYSZ-based TBCs, however, seriously affects the performance at demanding service temperatures. For the new generation turbines where higher operating gas temperatures (> 1200 C) are to expect, the performance of turbine blades can be improved by replacing the state-art-of-material PYSZ with superior thermal barrier coatings which belong to different crystal structures such as magnetoplumbite. Magnetoplumbite structure through its interlocking grain morphology and unique crystal structure provides essentially a sintering resistant, low thermal conductive layer, but also imparts a catalytic layer to reduce the environmentally harmful substances produced during propulsion and increase the catalytic performance. The complex structures of these compounds make it difficult to realize by conventional methods and requires careful adjustment of process parameters. The morphology and crystallographic aspects of these coatings as well as the mechanisms controlling the improvement are highlighted. (orig.)

  19. Multidimensional Generalized Functions in Aeroacoustics and Fluid Mechanics. Part 1; Basic Concepts and Operations

    Science.gov (United States)

    Farassat, Fereidoun; Myers, Michael K.

    2011-01-01

    This paper is the first part of a three part tutorial on multidimensional generalized functions (GFs) and their applications in aeroacoustics and fluid mechanics. The subject is highly fascinating and essential in many areas of science and, in particular, wave propagation problems. In this tutorial, we strive to present rigorously and clearly the basic concepts and the tools that are needed to use GFs in applications effectively and with ease. We give many examples to help the readers in understanding the mathematical ideas presented here. The first part of the tutorial is on the basic concepts of GFs. Here we define GFs, their properties and some common operations on them. We define the important concept of generalized differentiation and then give some interesting elementary and advanced examples on Green's functions and wave propagation problems. Here, the analytic power of GFs in applications is demonstrated with ease and elegance. Part 2 of this tutorial is on the diverse applications of generalized derivatives (GDs). Part 3 is on generalized Fourier transformations and some more advanced topics. One goal of writing this tutorial is to convince readers that, because of their powerful operational properties, GFs are absolutely essential and useful in engineering and physics, particularly in aeroacoustics and fluid mechanics.

  20. Advances in fracture mechanics analyses of primary system performance under operating and accident conditions

    International Nuclear Information System (INIS)

    Safety research sponsored by the Nuclear Regulatory Commission, Division of Reactor Safety Research, has resulted in notable advances in several areas of importance in the safety evaluation of reactor primary systems under normal operations and accident situations. First, the methods of linear elastic fracture mechanics and of elastic plastic fracture mechanics have been validated for prediction of pressure vessel performance by the Intermediate Vessel Test program results at the Oak Ridge National Laboratory. The ability confidently to predict vessel performance under realistic service conditions has permitted development of the computer program OCTAVIA which computes failure curves for a range of flaw sizes in terms of pressure and temperature for specified presure vessel material at specific neutron fluence levels. It then considers the probability of occurrence of flaw sizes and magnitude of pressure during an operational, overpressurization transient and determines the probability of failure, for both individual flaw sizes and for the full spectrum. This advance has been verified by the confirmatory results of testing small thick-walled cylinders under thermal shock conditions in the Heavy Section Steel Technology program, and of warm prestressing tests at the US Navel Research Laboratory. Thirdly, the technology of crack arrest has reached a level wherein standardization of test specimens and testing methods is now possible and, indeed, is underway. (Auth.)

  1. Low-pollution operation of diesel engines. New catalytic converter system reduces all pollutant fractions; Dieselmotoren schadstoffarm betreiben. Neues Katalysatorsystem vermindert alle Schadstoffkomponenten

    Energy Technology Data Exchange (ETDEWEB)

    Maurer, B. [HJS Fahrzeugtechnik GmbH und Co., Menden (Germany). Bereich Entwicklung

    1998-07-01

    An exhaust treatment system for diesel engines is currently being developed which will reduce CO, HC, particulate and NO{sub x} emissions efficiently. For the first three (Ch, HC and particulates), the CRT particle filter system has been in use for three years now with good results. The CRT system combines a diesel particulate filter with an upstream high-efficiency oxidation catalyst. In order to account for nitric oxides as well, the soot filter system must be combined with a denox catalyst working b the SCR process in which nitric oxides are reacted with ammonia into nitrogen and water. The ammonia is generated in gaseous form by an onboard generator. The envisaged combination of a CRT system with an SCR catalytic converter will be called SCRT system. The SCRT system will be able to reduce all limited pollutant fractions at once. Results so far show that hydrocarbons, carbon monoxide and particulates are reduced down to below the detection limit. Reduction of nitric oxides is in the 75% range, so that the Euro II engine will have nitric oxide emissions of less than 2 g/kWh in the 13-stage test. (orig.) [Deutsch] Fuer Fahrzeuge mit Dieselmotoren wird derzeit ein Abgasnachbehandlungssystem entwickelt, das die Schadstoffkomponenten CO, HC und Partikel sowie die Stickoxide (NO{sub x}) mit hohem Wirkungsgrad absenkt. Zur Verminderung der CO-, HC- und Partikelemissionen ist das seit drei Jahren eingesetzte CRT-Partikelfiltersystem geeignet. Das CRT-System ist die Kombination eines Dieselpartikelfilters mit einem vorgeschalteten hocheffizienten Oxidationskatalysator. Um gleichzeitig die Stickoxidemission zu vermindern, muss das Russfiltersystem mit einem Denox-Katalysator kombiniert werden. Die Umwandlung dieser Schadstoffe erfolgt nach dem SCR-Verfahren. Dabei werden die Stickoxide durch Zugabe von Ammoniak an einem SCR-Katalysator gezielt zu Stickstoff (N{sub 2}) und Wasser (H{sub 2}O) umgesetzt. Das Ammoniak wird in einem Generator an Bord des Fahrzeugs in

  2. MgATP-concentration dependence of protection of yeast vacuolar V-ATPase from inactivation by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole supports a bi-site catalytic mechanism of ATP hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Milgrom, Elena M. [Department of Biochemistry and Molecular Biology, State University of New York, Upstate Medical University, 750 East Adams Street, Syracuse, NY 13210 (United States); Milgrom, Yakov M., E-mail: milgromy@upstate.edu [Department of Biochemistry and Molecular Biology, State University of New York, Upstate Medical University, 750 East Adams Street, Syracuse, NY 13210 (United States)

    2012-06-29

    Highlights: Black-Right-Pointing-Pointer MgATP protects V-ATPase from inactivation by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole. Black-Right-Pointing-Pointer V-ATPase activity saturation with MgATP is not sufficient for complete protection. Black-Right-Pointing-Pointer The results support a bi-site catalytic mechanism for V-ATPase. -- Abstract: Catalytic site occupancy of the yeast vacuolar V-ATPase during ATP hydrolysis in the presence of an ATP-regenerating system was probed using sensitivity of the enzyme to inhibition by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole (NBD-Cl). The results show that, regardless of the presence or absence of the proton-motive force across the vacuolar membrane, saturation of V-ATPase activity at increasing MgATP concentrations is accompanied by only partial protection of the enzyme from inhibition by NBD-Cl. Both in the presence and absence of an uncoupler, complete protection of V-ATPase from inhibition by NBD-Cl requires MgATP concentrations that are significantly higher than those expected from the K{sub m} values for MgATP. The results are inconsistent with a tri-site model and support a bi-site model for a mechanism of ATP hydrolysis by V-ATPase.

  3. MgATP-concentration dependence of protection of yeast vacuolar V-ATPase from inactivation by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole supports a bi-site catalytic mechanism of ATP hydrolysis

    International Nuclear Information System (INIS)

    Highlights: ► MgATP protects V-ATPase from inactivation by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole. ► V-ATPase activity saturation with MgATP is not sufficient for complete protection. ► The results support a bi-site catalytic mechanism for V-ATPase. -- Abstract: Catalytic site occupancy of the yeast vacuolar V-ATPase during ATP hydrolysis in the presence of an ATP-regenerating system was probed using sensitivity of the enzyme to inhibition by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole (NBD-Cl). The results show that, regardless of the presence or absence of the proton-motive force across the vacuolar membrane, saturation of V-ATPase activity at increasing MgATP concentrations is accompanied by only partial protection of the enzyme from inhibition by NBD-Cl. Both in the presence and absence of an uncoupler, complete protection of V-ATPase from inhibition by NBD-Cl requires MgATP concentrations that are significantly higher than those expected from the Km values for MgATP. The results are inconsistent with a tri-site model and support a bi-site model for a mechanism of ATP hydrolysis by V-ATPase.

  4. Interfacial effect of the nanostructured Ag2S/Co3O4 and its catalytic mechanism for the dye photodegradation under visible light

    Science.gov (United States)

    Qiu, X. P.; Yu, J. S.; Xu, H. M.; Chen, W. X.; Hu, W.; Bai, H. Y.; Chen, G. L.

    2016-01-01

    In this study, the synthesis of a highly hybrid, heterogeneously structured nanocomposite catalyst consisting of Ag2S nanoparticles dotted on a Co3O4 microrod array is reported. The average diameter and length of the Co3O4 microrods was optimized to be approximately 300 nm and 20 μm, respectively, and the average size of the Ag2S nanoparticles was approximately 10 nm. When the Ag2S nanoparticles were deposited on the Co3O4 microrods, the characteristic optical band gap energy of Co3O4 decreased from 1.26 eV to 1.23 eV, and the intensity of the absorbance peak at 650 nm increased significantly. The catalytic activity of nanosized Ag2S/Co3O4 for the photodegradation of organic contaminants with potassium hydrogen persulfate (PMS) or ozone (O3) was evaluated using basic green 1 dye (BG1) as a model pollutant. In the presence of the hybrid Ag2S/Co3O4 catalyst developed in this study, the complete photodegradation of the BG1 solution was achieved in 20 min and 6 min when PMS and O3 were used, respectively. In addition, the experimental results suggest that the catalytic photodegradation of BG1 using the Ag2S/Co3O4/PMS and Ag2S/Co3O4/O3 processes was dominated by the rad OH and rad O2- radicals, respectively.

  5. Kinetics and mechanism of catalytic hydroprocessing of components of coal-derived liquids. Seventh quarterly report, November 16, 1980-February 15, 1981

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B.C.; Katzer, J.R.; Kwart, H.; Olson, J.H.; Schuit, G.C.A.; Stiles, A.B.; Petrakis, L.

    1981-10-21

    An asphaltene-containing SRC-II coal liquid derived from Powhatan No. 5 coal and produced in the Ft. Lewis demonstration plant was selected for study of catalytic hydroprocessing reactions. Separation by liquid chromatography has been carried out to produce nine distinct fractions. Experiments have begun to determine the reactivities of these fractions in high-pressure catalytic hydroprocessing. Hydroprocessing experiments with aromatic hydrocarbons under industrially relevant conditions have shown that the reaction networks involve reversible hydrogenation and isomerization, and significant concentrations of hydroaromatic (hydrogen-donor) species are attainable under practical conditions. The least reactive class of aromatic hydrocarbons consists of substituted benzenes. Biphenyl has been selected for thorough study, and quantitative kinetics of the biphenyl hydrogenation to give cyclohexylbenzene has been determined. Kinetics of hydrodenitrogenation of indole was studied in an autoclave between 321 and 400/sup 0/C and 16.3 to 69 atm, using American Cyanamid HDS-9A catalyst. A reaction network with kinetics parameters was developed for the calculation of product distribution and nitrogen removal. Lumping of components in a reaction network simplifies the kinetics determination of fuel feedstocks. Component lumping simulations involving first-order kinetics were successfully carried out for certain schemes in the quinoline network. This network can be represented by the reactant, the hydrogenated intermediate (lumps), and the denitrogenated product.

  6. Impact of mechanization and previous burning reduction on GHG emissions of sugarcane harvesting operations in Brazil

    International Nuclear Information System (INIS)

    Highlights: ► Between 1990 and 2009, GHG emissions from sugarcane harvesting were estimated. ► We considered the reduction of pre-burning and increasing use of mechanization. ► GHG emissions of Sao Paulo State passed from 1.053 to 0.639 tonCO2eq/ha. ► The decrease of previous burning reduced 79% of total emissions. -- Abstract: Ethanol production from sugarcane under Brazilian conditions has resulted in positive economic, energetic and environmental indicators, primarily due to a high agro-industrial yield, recycling of by-products and bagasse utilization for power generation. Following the trends of improvement in the overall processes and increasing environmental constraints, the extensive use of labor and previous burning in sugarcane harvesting has been progressively replaced by mechanical harvesting without the need for burning. Currently, this operation is performed in three ways: manual harvesting with previous burning, mechanical harvesting with previous burning, and mechanical harvesting of green sugarcane. Generally, the main reason for use of previous burning in sugarcane fields is the elimination of straw to facilitate manual cutting. However, studies indicate emissions of greenhouse gases (GHGs) and, mainly, other pollutants. associated with this practice. In Brazil, specific environmental laws and protocols have established a progressive reduction in previous burning aimed at total elimination in the next decade. In addition, an increase in the use of mechanical harvesting due to high productivity compared with manual cutting has been observed. In this context, this study has estimated the specific GHG emissions (tonCO2eq/ha) in sugarcane harvesting as a function of the simultaneous reduction of previous burning and increase in the use of mechanization. The estimates were applied to the sugarcane harvesting area of the São Paulo State, which is responsible for approximately half of Brazilian production. Considering the period between 1990 and

  7. Training of machine operators for mechanized wood harvesting : a study carried out under the EU-funded ERGOWOOD project

    OpenAIRE

    Strehlke, Bernt; Warngren, Kristin

    2004-01-01

    Examines recent developments in employment and training in European forestry and investigates the mechanization of forest harvesting and the training of forest machine operators in France and Poland. Briefly describes three vocational training programmes promoted by the European Commission.

  8. Self-correction coil: Operation mechanism of self-correction coil

    Science.gov (United States)

    Hosoyama, K.

    1983-06-01

    The operation mechanism of self-correction coil is extended with a simple model. For the ideal self-correction coil case, The self-inductance L of the self-correction coil is calculated. This calculation method is extended to a non-ideal self-correction coil case. For measure of completeness of self-correction coil is measured by the ratio of induced magnetic field by the self-correction coil and error field. Examples are L, M and N calculated for two cases; one is a single block approximation of self-correction coil winding and the other is a two block approximation case. By choosing the adequate angles of self-correction coil winding, one can get about 98% efficiency for single block approximation case and 99.8% for two block approximation case.

  9. Study of the internal mechanisms of Pixelized Photon Detectors operated in Geiger-mode

    CERN Document Server

    Otono, H; Yamashita, S; Yoshioka, T; Yamamoto, K; Yamamura, K; Sato, K

    2008-01-01

    In the 1990s, a novel semiconductor photon-sensor operated in Geiger-mode was invented in Russia (Silicon PhotoMultiplier), which consists of many tiny pixels and has a single photon level sensitivity. Since then, various types of the sensor with this scheme, Pixelized Photon Detectors (PPD), have been developed in many places in the world. For instance, Hamamatsu Photonics K.K. in Japan produces the PPD as a Multi-Pixel Photon Counter. While the internal mechanisms of the PPD have been intensively studied in recent years, the existing models do not succeeded to fully reproduce the output characteristic, such as waveforms at low temperature. We have developed a new model with the transient multiplication and quenching of the realistic avalanche process and have succeeded in reproducing the output waveform of the PPD at various temperature. In this paper, we discuss our improved model.

  10. Operation of the jet feedback mechanism (JFM) in intermediate luminosity optical transients (ILOTs)

    CERN Document Server

    Kashi, Amit

    2015-01-01

    We follow the premise that most intermediate luminosity optical transients (ILOTs) are powered by rapid mass accretion onto a main sequence star, and study the effects of jets launched by an accretion disk. The disk is formed due to large specific angular momentum of the accreted mass. The two opposite jets might expel some of the mass from the reservoir of gas that feeds the disk, hence reducing and shortening the mass accretion process. We argue that by this process ILOTs limit their luminosity and might even shut themselves off in this negative jet feedback mechanism (JFM). The group of ILOTs is a new member of a large family of astrophysical objects whose activity is regulated by the operation of the JFM.

  11. Operation of the jet feedback mechanism (JFM) in intermediate luminosity optical transients (ILOTs)

    Science.gov (United States)

    Kashi, Amit; Soker, Noam

    2016-06-01

    We follow the premise that most intermediate luminosity optical transients (ILOTs) are powered by rapid mass accretion onto a main sequence star, and study the effects of jets launched by an accretion disk. The disk is formed due to large specific angular momentum of the accreted mass. The two opposite jets might expel some of the mass from the reservoir of gas that feeds the disk, and therefore reduce and shorten the mass accretion process. We argue that by this process ILOTs limit their luminosity and might even shut themselves off in this negative jet feedback mechanism (JFM). The group of ILOTs is a new member of a large family of astrophysical objects whose activity is regulated by the operation of the JFM.

  12. Degradation Mechanism in a Direct Carbon Fuel Cell Operated with Demineralised Brown Coal

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Degradation mechanism studied for demineralised coal in a direct carbon fuel cell. • Diffusion limited processes dominate the electrode polarisation losses in pure N2. • Major fuel cell performance loss occurred due to loss of carbon/anode contacts. • The anode retained its phase structure with minor other phases formed in operation. - Abstract: The performance of a demineralised and devolatilised coal from the Morwell mine in the Latrobe Valley, Victoria, has been investigated in a direct carbon fuel cell (DCFC) operated at 850 °C. The focus of the investigation has been on understanding degradation issues as a function of time involving a sequence of electrochemical impedance spectroscopy and voltage-current characteristic. Diffusion limited processes dominate the electrode polarisation losses in pure N2 atmosphere, however, these decrease substantially in the presence of CO2 as the anode chamber purge gas, due to in situ generation of fuel species by the reaction of CO2 with carbon. Post-mortem analysis of anode by SEM and XRD revealed only a minor degradation due to its reduction, particle agglomeration as well as the formation of small quantity of new phases. However, major fuel cell performance degradation (increase of ohmic resistive and electrode polarisation losses) occurred due to loss of carbon/anode contacts and a reduction in the electron-conducting pathways as the fuel was consumed. The investigations revealed that the demineralised coal char can be used as a viable fuel for DCFC, however, further developments on anode materials and fuel feed mechanism would be required to achieve long-term sustained performance

  13. Efficient Sustainable Operation Mechanism of Distributed Desktop Integration Storage Based on Virtualization with Ubiquitous Computing

    Directory of Open Access Journals (Sweden)

    Hyun-Woo Kim

    2015-06-01

    Full Text Available Following the rapid growth of ubiquitous computing, many jobs that were previously manual have now been automated. This automation has increased the amount of time available for leisure; diverse services are now being developed for this leisure time. In addition, the development of small and portable devices like smartphones, diverse Internet services can be used regardless of time and place. Studies regarding diverse virtualization are currently in progress. These studies aim to determine ways to efficiently store and process the big data generated by the multitude of devices and services in use. One topic of such studies is desktop storage virtualization, which integrates distributed desktop resources and provides these resources to users to integrate into distributed legacy desktops via virtualization. In the case of desktop storage virtualization, high availability of virtualization is necessary and important for providing reliability to users. Studies regarding hierarchical structures and resource integration are currently in progress. These studies aim to create efficient data distribution and storage for distributed desktops based on resource integration environments. However, studies regarding efficient responses to server faults occurring in desktop-based resource integration environments have been insufficient. This paper proposes a mechanism for the sustainable operation of desktop storage (SODS for high operational availability. It allows for the easy addition and removal of desktops in desktop-based integration environments. It also activates alternative servers when a fault occurs within a system.

  14. Understanding physiological and degenerative natural vision mechanisms to define contrast and contour operators.

    Directory of Open Access Journals (Sweden)

    Jacques Demongeot

    Full Text Available BACKGROUND: Dynamical systems like neural networks based on lateral inhibition have a large field of applications in image processing, robotics and morphogenesis modeling. In this paper, we will propose some examples of dynamical flows used in image contrasting and contouring. METHODOLOGY: First we present the physiological basis of the retina function by showing the role of the lateral inhibition in the optical illusions and pathologic processes generation. Then, based on these biological considerations about the real vision mechanisms, we study an enhancement method for contrasting medical images, using either a discrete neural network approach, or its continuous version, i.e. a non-isotropic diffusion reaction partial differential system. Following this, we introduce other continuous operators based on similar biomimetic approaches: a chemotactic contrasting method, a viability contouring algorithm and an attentional focus operator. Then, we introduce the new notion of mixed potential Hamiltonian flows; we compare it with the watershed method and we use it for contouring. CONCLUSIONS: We conclude by showing the utility of these biomimetic methods with some examples of application in medical imaging and computed assisted surgery.

  15. Policies for the design and operation of the clean development mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Hourcade, J.Ch. [Centre International de Recherche sur l' Environnement et le Developpement (CIRED-CNRS/EHESS), 94 - Nogent sur Marne (France); Toman, M. [Resources for the Future (RFF), Washington D.C. (United States)

    2003-07-01

    On September 24-25 1999, CIRED and RFF held a workshop at CIRED to explore a number of key policy issues surrounding the design and operation of the Clean Development Mechanism (CDM). This mechanism, created as part of the 1997 Kyoto Protocol to the United Nations Framework Convention on Climate Change (FCCC), has been the subject of much ongoing negotiation and debate. The multinational participants assembled not to seek consensus but to promote better understanding of commonalties and differences in views in a non politicized setting, as well as to see what new ideas and understandings might emerge from the discussions. The meetings were informal and ''off the record'' to promote frank exchange. This document is a summary of the discussions as seen through the eyes of the two co-organizers. We have tried to reflect as well as possible the range and diversity of the thoughts expressed at the meeting, and we have circulated this summary to other participants for their comments. But we alone are responsible for its content. (author)

  16. Standard guide for mechanical drive systems for remote operation in hot cell facilities

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 Intent: 1.1.1 The intent of this standard is to provide general guidelines for the design, selection, quality assurance, installation, operation, and maintenance of mechanical drive systems used in remote hot cell environments. The term mechanical drive systems used herein, encompasses all individual components used for imparting motion to equipment systems, subsystems, assemblies, and other components. It also includes complete positioning systems and individual units that provide motive power and any position indicators necessary to monitor the motion. 1.2 Applicability: 1.2.1 This standard is intended to be applicable to equipment used under one or more of the following conditions: 1.2.1.1 The materials handled or processed constitute a significant radiation hazard to man or to the environment. 1.2.1.2 The equipment will generally be used over a long-term life cycle (for example, in excess of two years), but equipment intended for use over a shorter life cycle is not excluded. 1.2.1.3 The ...

  17. Catalytic cracking process

    Science.gov (United States)

    Lokhandwala, Kaaeid A.; Baker, Richard W.

    2001-01-01

    Processes and apparatus for providing improved catalytic cracking, specifically improved recovery of olefins, LPG or hydrogen from catalytic crackers. The improvement is achieved by passing part of the wet gas stream across membranes selective in favor of light hydrocarbons over hydrogen.

  18. Catalytic distillation structure

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1984-01-01

    Catalytic distillation structure for use in reaction distillation columns, a providing reaction sites and distillation structure and consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and being present with the catalyst component in an amount such that the catalytic distillation structure consist of at least 10 volume % open space.

  19. Low efficiency deasphalting and catalytic cracking

    International Nuclear Information System (INIS)

    This patent describes a process for converting an asphaltene and metals containing heavy hydrocarbon feed to lighter, more valuable products the metals comprising Ni and V. It comprises: demetallizing the feed by deasphalting the feed in a solvent deasphalting means operating at solvent deasphalting conditions including a solvent: feed volume ratio of about 1:1 to 4:1, using a solvent selected from the group of C4 to 400 degrees F. hydrocarbons and mixtures thereof; recovering from the solvent rich fraction a demetallized oil intermediate product, having a boiling range and containing at least 10 wt.% of the asphaltenes, and 5 to 30% of the Ni and V, and at least 10 wt.% of the solvent present in the solvent rich phase produced in the deasphalting means; catalytically cracking the demetallized oil intermediate product in a catalytic cracking means operating at catalytic cracking conditions to produce a catalytically cracked product vapor fraction having a lower boiling range than the boiling range of the demetallized oil intermediate product; and fractionating the catalytically cracked product in a fractionation means to produce catalytically cracked product fractions

  20. Intermediate processes and critical phenomena: Theory, method and progress of fractional operators and their applications to modern mechanics

    Institute of Scientific and Technical Information of China (English)

    XU Mingyu; TAN Wenchang

    2006-01-01

    From point of view of physics, especially of mechanics, we briefly introduce fractional operators (with emphasis on fractional calculus and fractional differential equations) used for describing intermediate processes and critical phenomena in physics and mechanics, their progress in theory and methods and their applications to modern mechanics. Some authors' researches in this area in recent years are included. Finally, prospects and evaluation for this subject are made.

  1. Development of an aging procedure for catalytic converter systems in passenger cars regarding catalytical and mechanical durability; Entwicklung eines Alterungsverfahrens fuer katalytische und mechanische Dauerhaltbarkeit von Katalysatorsystemen fuer den Einsatz im Pkw

    Energy Technology Data Exchange (ETDEWEB)

    Brueck, R.; Nagel, T.; Schatz, A. [Gesellschaft fuer Emissionstechnologie mbH (EMITEC), Lohmar (Germany)

    2002-07-01

    The component test stand is an ideal tool for simulating thermal and mechanical loads. Exhaust simulators of the type described here do not require the characteristic temperature field, but temperatures and mass flows can be selected freely in a wide range as a function of the simulated load. This ensures high flexibility in the choice of load parameters and permits quick-motion testing. Further, electrodynamic inducers provide a wide variation of loads. Component tests result in a significant cost reduction in the early developmental stages as tests can be carried out even without specific engine hardware. There is potential for improvement in the burner systems: With cooled combustion chambers, the temperature dynamics of the engine can be modelled more realistically. Concepts for this have already been developed. (orig.) [German] Der Komponentenpruefstand stellt ein ideales Werkzeug zur Simulation thermischer und mechanischer Belastungen dar. Im Gegensatz zum Motor ist man bei den beschriebenen Abgassimulatoren nicht auf das Temperatur-Kennfeld angewiesen, sondern kann Temperatur und Massenstrom in Abhaengigkeit von der zur simulierenden Belastung in weiten Bereichen frei waehlen. Daraus ergibt sich eine hohe Flexibilitaet bei der Wahl der Belastungsparameter, was in dieser Konsequenz die Moeglichkeit von Zeitraffertests eroeffnet. Ebenso erlaubt der Einsatz elektrodynamischer Schwingerreger ein hohes Mass an Belastungsvariationen die sich am Motor nicht darstellen lassen. Der Einsatz von Komponententests fuehrt in Summe zu einer deutlichen Kostenreduzierung im fruehen Stadium der Applikationsentwicklung und erlaubt Tests auch ohne spezifische Motor-Hardware. Verbesserungspotenzial ist noch in der Weiterentwicklung der Brennersysteme zu sehen, die durch den Einsatz gekuehlter Brennkammern noch realistischer die Temperaturdynamik des Motors nachbilden koennen. Realisierungskonzepte hierzu wurden bereits erarbeitet. (orig.)

  2. Crystal Structures of Two Bacterial 3-Hydroxy-3-methylglutaryl-CoA Lyases Suggest a Common Catalytic Mechanism among a Family of TIM Barrel Metalloenzymes Cleaving Carbon-Carbon Bonds

    Energy Technology Data Exchange (ETDEWEB)

    Forouhar,F.; Hussain, M.; Farid, R.; Benach, J.; Abashidze, M.; Edstrom, W.; Vorobiev, S.; Montelione, G.; Hunt, J.; et al.

    2006-01-01

    The enzyme 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) lyase catalyzes the terminal steps in ketone body generation and leucine degradation. Mutations in this enzyme cause a human autosomal recessive disorder called primary metabolic aciduria, which typically kills victims because of an inability to tolerate hypoglycemia. Here we present crystal structures of the HMG-CoA lyases from Bacillus subtilis and Brucella melitensis at 2.7 and 2.3 {angstrom} resolution, respectively. These enzymes share greater than 45% sequence identity with the human orthologue. Although the enzyme has the anticipated triose-phosphate isomerase (TIM) barrel fold, the catalytic center contains a divalent cation-binding site formed by a cluster of invariant residues that cap the core of the barrel, contrary to the predictions of homology models. Surprisingly, the residues forming this cation-binding site and most of their interaction partners are shared with three other TIM barrel enzymes that catalyze diverse carbon-carbon bond cleavage reactions believed to proceed through enolate intermediates (4-hydroxy-2-ketovalerate aldolase, 2-isopropylmalate synthase, and transcarboxylase 5S). We propose the name 'DRE-TIM metallolyases' for this newly identified enzyme family likely to employ a common catalytic reaction mechanism involving an invariant Asp-Arg-Glu (DRE) triplet. The Asp ligates the divalent cation, while the Arg probably stabilizes charge accumulation in the enolate intermediate, and the Glu maintains the precise structural alignment of the Asp and Arg. We propose a detailed model for the catalytic reaction mechanism of HMG-CoA lyase based on the examination of previously reported product complexes of other DRE-TIM metallolyases and induced fit substrate docking studies conducted using the crystal structure of human HMG-CoA lyase (reported in the accompanying paper by Fu, et al. (2006) J. Biol. Chem. 281, 7526-7532). Our model is consistent with extensive mutagenesis

  3. Effect of annealing temperature on the structure and coke-resistance of nickel–iron bimetallic catalytic layer for in situ methane steam reforming in SOFC operation

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xuehua; Zhang, Hanqing; Zhao, DanDan; Tang, Dian; Zhang, Teng, E-mail: teng_zhang@fzu.edu.cn

    2014-11-15

    Highlights: • An intermediate FeNi{sub 3} phase forms in all N{sub i0.75}Fe{sub 0.25} catalysts in present work. • The catalyst annealed at 705 °C has smallest calculated surface energy. • The catalyst annealed at 705 °C also exhibits the best coke resistance in methane. • The cell with catalyst layer annealed at 705 °C has the best stability in methane. - Abstract: In this paper, the effect on coke formation of adding a Ni{sub 0.75}Fe{sub 0.25} catalyst layer to the anode side of a fuel cell running on methane is investigated. The formation of an intermediate FeNi{sub 3} phase can be observed in catalysts annealed at different temperatures. The catalyst annealed at 705 °C has the smallest calculated surface energy and grain size among all catalysts annealed at different temperatures. In addition, the O{sub 2}-TPO profiles and Raman spectra of spent anode material reveal that the catalyst annealed at 705 °C has the best coke resistance among all catalysts. Moreover, the cell with catalyst layer annealed at 705 °C, under a current density of 600 mA cm{sup −2} at 650 °C, experiences a decrease of 10% after operating in methane for 260 min, which is much more stable than that without catalyst layer (a decrease of 50%)

  4. Effect of annealing temperature on the structure and coke-resistance of nickel–iron bimetallic catalytic layer for in situ methane steam reforming in SOFC operation

    International Nuclear Information System (INIS)

    Highlights: • An intermediate FeNi3 phase forms in all Ni0.75Fe0.25 catalysts in present work. • The catalyst annealed at 705 °C has smallest calculated surface energy. • The catalyst annealed at 705 °C also exhibits the best coke resistance in methane. • The cell with catalyst layer annealed at 705 °C has the best stability in methane. - Abstract: In this paper, the effect on coke formation of adding a Ni0.75Fe0.25 catalyst layer to the anode side of a fuel cell running on methane is investigated. The formation of an intermediate FeNi3 phase can be observed in catalysts annealed at different temperatures. The catalyst annealed at 705 °C has the smallest calculated surface energy and grain size among all catalysts annealed at different temperatures. In addition, the O2-TPO profiles and Raman spectra of spent anode material reveal that the catalyst annealed at 705 °C has the best coke resistance among all catalysts. Moreover, the cell with catalyst layer annealed at 705 °C, under a current density of 600 mA cm−2 at 650 °C, experiences a decrease of 10% after operating in methane for 260 min, which is much more stable than that without catalyst layer (a decrease of 50%)

  5. Search for an onset mechanism that operates for both CMEs and substorms

    Directory of Open Access Journals (Sweden)

    G. L. Siscoe

    2009-08-01

    Full Text Available Substorms and coronal mass ejections have been cited as the most accessible examples of the explosive energy conversion phenomenon that seems to characterize one of the behavior modes of cosmic plasmas. This paper addresses the question of whether these two examples – substorms and CMEs – support or otherwise the idea that explosive energy conversion is the result of a single process operating in different places and under different conditions. As a candidate mechanism that might be common to both substorms and CMEs we use the Forbes catastrophe model for CMEs because before testing it appears to have the potential, suitably modified, to operate also for substorms. The essence of the FCM is a sudden onset of an imbalance of the forces acting on an incipient CME. The imbalance of forces causes the CME to start to rise. Beneath the rising CME conditions develop that favor the onset of magnetic reconnection which then releases the CME and assists its expulsion. Thus the signature of the FCM is a temporally ordered sequence in which there is first the appearance of force imbalance which leads to upward (or outward motion of the CME which leads to magnetic reconnection under it which expedites rapid expulsion. We look for the FCM signature in the output of two global magnetospheric MHD simulations that produce substorm-like events. We find the ordered sequence of events as stated but with a significant difference: there is no plasmoid prior to the onset of rapid reconnection, that is, there is no counterpart to the incipient CME on which an imbalance of forces acts to initiate the action in the FCM. If this result – that rapid tailward motion precedes the rapid reconnection of substorm expansion – is ultimately verified by other studies, it suggests that a description of the cause of substorm expansion should identify the cause of the preceding rapid tailward motion, since this leads necessarily to rapid reconnection, whatever the

  6. Comparison of Carbonyls and BTEX Emissions from a Light Duty Vehicle Fuelled with Gasoline and Ethanol-Gasoline Blend, and Operated without 3-Way Catalytic Converter

    Directory of Open Access Journals (Sweden)

    Asad Naeem Shah

    2011-10-01

    Full Text Available This paper presents the comparison of unregulated emissions such as carbonyls and BTEX (Benzene, Toluene, Ethyl Benzene, and Xylenes species emanated from a light duty SI (Spark Ignition vehicle E-0 (fuelled on gasoline and E-10 (ethanol-gasoline blend. Meanwhile, the ozone forming potential of these pollutants based on their ozone SR (Specific Reactivity has also been addressed in this study. The experiments were performed on transient as well as steady-state modes in accordance with the standard protocols recommended for light duty vehicle emissions. Carbonyls and BTEX were analyzed by HPLC (High Performance Liquid Chromatography with UV detector and GC/MS (Gas Chromatography/Mass Spectroscopy, respectively. Formaldehyde and acetaldehyde were the predominant components of the carbonyls for E-0 and E-10, respectively. During transient mode, formaldehyde, acrolein + acetone, and tolualdehyde pollutants were decreased but, acetaldehyde emissions increased with E-10 as compared to E-0. The BTEX emissions were also decreased with E-10, relative to E-0. During the steady-state modes, formaldehyde, acrolein + acetone and propionaldehyde were lower, aromatic aldehydes were absent, but acetaldehyde pollutants were higher with E-10 compared to E-0. The BTEX emissions were decreased at medium and higher speed modes however, increased at lower speed mode with E-10 as compared to E-0. Total BTEX emissions were maximal at lower speed mode but, least at medium speed mode for both the fuels. SR of the pollutants was higher over transient cycle of operation, compared with steady-state mode. Relative to E-0, E-10 displayed lower SR during both transient as well as steady-state mode.

  7. Study and Analysis on Naphtha Catalytic Reforming Reactor Simulation

    Institute of Scientific and Technical Information of China (English)

    Liang Ke min; Song Yongji; Pan Shiwei

    2004-01-01

    A naphtha catalytic reforming unit with four reactors connected in series is analyzed. A physical model is proposed to describe the catalytic reforming radial flow reactor. Kinetics and thermodynamics equations are selected to describe the naphtha catalytic reforming reaction characteristics based on idealizing the complex naphtha mixture to represent the paraffin, naphthene, and aromatic groups with individual compounds. The simulation results based on above models agree very well with actual operating data of process unit.

  8. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, April 1, 1994--June 30, 1994

    Energy Technology Data Exchange (ETDEWEB)

    Iglesia, E.; Perry, D.L.; Heinemann, H.

    1994-06-01

    Catalytic gasification work has been completed and no other work is planned in the general area of catalytic gasification of coals and chars has operated without a post-doctoral fellow because of budget limitations during the first two quarters of FY1994. Dr. S. Sundararajan joined the group in April 1994 and will be assigned to the project throughout the remaining of the fiscal year. Results published by Hamakawa, et al. in The Journal of the Electrochemical Society have confirmed the concept of methane coupling via a membrane reactor. These findings confirm our previous conclusion that thinner membranes and increased surface activity for C-H bond activation at low temperatures are required in order to reach commercially attractive rates of reaction. The initial analysis of a theoretical model comparing the membrane and cyclic processes has been completed. The results indicate that perovskite membranes on the order of 50 microns will be needed for the membrane operation to be superior to a cyclic one. Two techniques, laser ablation and spin-coating/sol-gel chemistry are being tried to prepare the thin membranes described above. Studies of the magnetochemical properties of the calcium-nickel-potassium oxide powdered catalysts have been concluded and a manuscript describing the work has been completed. Synchrotron x-ray fluorescence microprobe data for calcium-nickel-potassium films have been analyzed and an abstract of the results has been submitted for presentation at the Fall Meeting of the Materials Research Society. Initial films of strontium-zirconium oxide, using yttria-stabilized zirconia as a buffer layer, have been fabricated using pulsed laser deposition. X-ray diffraction data have been obtained for several of the strontium-zirconium-yttrium oxide films.

  9. Revisiting the mechanism of the autoactivation of the complement protease C1r in the C1 complex: structure of the active catalytic region of C1r.

    Science.gov (United States)

    Kardos, József; Harmat, Veronika; Palló, Anna; Barabás, Orsolya; Szilágyi, Katalin; Gráf, László; Náray-Szabó, Gábor; Goto, Yuji; Závodszky, Péter; Gál, Péter

    2008-03-01

    C1r is a modular serine protease which is the autoactivating component of the C1 complex of the classical pathway of the complement system. We have determined the first crystal structure of the entire active catalytic region of human C1r. This fragment contains the C-terminal serine protease (SP) domain and the preceding two complement control protein (CCP) modules. The activated CCP1-CCP2-SP fragment makes up a dimer in a head-to-tail fashion similarly to the previously characterized zymogen. The present structure shows an increased number of stabilizing interactions. Moreover, in the crystal lattice there is an enzyme-product relationship between the C1r molecules of neighboring dimers. This enzyme-product complex exhibits the crucial S1-P1 salt bridge between Asp631 and Arg446 residues, and intermolecular interaction between the CCP2 module and the SP domain. Based on these novel structural information we propose a new split-and-reassembly model for the autoactivation of the C1r. This model is consistent with experimental results that have not been explained adequately by previous models. It allows autoactivation of C1r without large-scale, directed movement of C1q arms. The model is concordant with the stability of the C1 complex during activation of the next complement components. PMID:17996945

  10. Device physics and design of T-gate Schottky barrier tunnel FET with adaptive operation mechanism

    International Nuclear Information System (INIS)

    A T-shaped gate Schottky barrier tunnel FET (TSB-TFET) is discussed in detail and experimentally demonstrated with compatible bulk Si CMOS technology. The device can alleviate the major issues in traditional silicon TFET through adaptive operation mechanism, with higher ON-current from the dominant Schottky current, appreciably reduced off-leakage current from self-depletion effect, and steeper subthreshold slope (SS) from dominant band-to-band tunneling with enhanced source surface electric field through T-gate configuration. Without area penalty, the fabricated silicon-based device can achieve steeper SS over more than 4 decades of current and thus lower average SS, as well as higher ION/IOFF ratio of 106 compared with traditional TFET. The parameters for device design and analog circuit applications are studied as well. Simulation results show that TSB-TFET can achieve excellent on-off current trade-off by lowering the Schottky barrier height, and also demonstrate lower gate-to-drain capacitance and better analog parameters performance than traditional TFET. (paper)

  11. Self-correction coil: operation mechanism of self-correction coil

    International Nuclear Information System (INIS)

    We discuss here the operation mechanism of self-correction coil with a simple model. At the first stage, for the ideal self-correction coil case we calculate the self-inductance L of self-correction coil, the mutual inductance M between the error field coil and the self-correction coil, and using the model the induced curent in the self-correction coil by the external magnetic error field and induced magnetic field by the self-correction coil. And at the second stage, we extend this calculation method to non-ideal self-correction coil case, there we realize that the wire distribution of self-correction coil is important to get the high enough self-correction effect. For measure of completeness of self-correction effect, we introduce the efficiency eta of self-correction coil by the ratio of induced magnetic field by the self-correction coil and error field. As for the examples, we calculate L, M and eta for two cases; one is a single block approximation of self-correction coil winding and the other is a two block approximation case. By choosing the adequate angles of self-correction coil winding, we can get about 98% efficiency for single block approximation case and 99.8% for two block approximation case. This means that by using the self-correction coil we can improve the field quality about two orders

  12. On the mechanism of operation of a cathode spot cell in a vacuum arc

    Energy Technology Data Exchange (ETDEWEB)

    Mesyats, G. A.; Petrov, A. A. [P. N. Lebedev Physical Institute, RAS, 53 Leninsky Ave., Moscow 119991 (Russian Federation); Bochkarev, M. B. [Institute of Electrophysics, UB, RAS, 106 Amundsen St., Ekaterinburg 620016 (Russian Federation); Barengolts, S. A., E-mail: sb@nsc.gpi.ru [A. M. Prokhorov General Physics Institute, RAS, 38 Vavilov St., Moscow 119991 (Russian Federation)

    2014-05-05

    The erosive structures formed on a tungsten cathode as a result of the motion of the cathode spot of a vacuum arc over the cathode surface have been examined. It has been found that the average mass of a cathode microprotrusion having the shape of a solidified jet is approximately equal to the mass of ions removed from the cathode within the lifetime of a cathode spot cell carrying a current of several amperes. The time of formation of a new liquid-metal jet under the action of the reactive force of the plasma ejected by the cathode spot is about 10 ns, which is comparable to the lifetime of a cell. The growth rate of a liquid-metal jet is ∼10{sup 4} cm/s. The geometric shape and size of a solidified jet are such that a new explosive emission center (spot cell) can be initiated within several nanoseconds during the interaction of the jet with the dense cathode plasma. This is the underlying mechanism of the self-sustained operation of a vacuum arc.

  13. Helium-filled proportional counter and its operation mechanism at low temperatures

    CERN Document Server

    Isozumi, Y; Kishimoto, S

    2002-01-01

    The operation mechanism of helium-filled proportional counter (HFPC) at about 4.2 K is explained. Unstable behavior of HFPC is caused by releasing secondary-electron from the cathode by four kinds of active particles such as He sub n sup + , non-resonance photon from excited helium atom, non-resonance photon from He sub 2 sup * (A sup 1 Su sup +) and He sub 2 sup m (a sup 3 Su sup +). On experiments of HFPC behavior at low temperature, the following facts were observed; 1) main charge formation process in the electron avalanche is direct ionization by electron without Hornbeck-Molnar process. Accordingly, the gas amplification factor becomes small at low temperature. 2) Stable helium cation is He sub 2 sup + at room temperature, but cluster at low temperature. Large after-pulse is observed in output signal depends on cluster ion. The probability of secondary-electron emission decreased. The gas gain increased with increasing anode voltage. 3) By decreasing reaction rate of atom and molecule collision at low t...

  14. LBNF Hadron Absorber: Mechanical Design and Analysis for 2.4MW Operation

    Energy Technology Data Exchange (ETDEWEB)

    Hartsell, B. [Fermilab; Anderson, K. [Fermilab; Hylen, J. [Fermilab; Sidorov, V. [Fermilab; Tariq, S. [Fermilab

    2015-06-01

    Fermilab’s Long-Baseline Neutrino Facility (LBNF) requires an absorber, essentially a large beam dump consisting of actively cooled aluminum and steel blocks, at the end of the decay pipe to stop leftover beam particles and provide radiation protection to people and groundwater. At LBNF’s final beam power of 2.4 MW and assuming the worst case condition of a 204 m long helium filled decay pipe, the absorber is required to handle a heat load of about 750 kW. This results in significant thermal management challenges which have been mitigated by the addition of an aluminum ‘spoiler’ and ‘sculpting’ the central portion of the aluminum core blocks. These thermal effects induce structural stresses which can lead to fatigue and creep considerations. Various accident conditions are considered and safety systems are planned to monitor operation and any accident pulses. Results from these thermal and structural analyses will be presented as well as the mechanical design of the absorber. The design allows each of the core blocks to be remotely removed and replaced if necessary. A shielded remote handling structure is incorporated to hold the hadron monitor when it is removed from the beam.

  15. Fracture mechanics-based life management of structural materials operating at elevated temperatures

    International Nuclear Information System (INIS)

    Full text: All aspects of plant safety are paramount in the nuclear industry and therefore advanced methodologies have to be developed to cater for high levels of conservatism and extreme caution in design and plant life extension. Fracture mechanics based design and remaining life prediction methods coupled with multi-disciplinary materials modelling are the likely candidates for this task. Since the likelihood of failure is increased when cracks or defects are present in the structure and in particular in regions of weldments it becomes imperative to further develop predictive techniques. Fracture mechanics is routinely applied at British Energy Plc. [United Kingdom] codes of Practice R5/R6 to predict failure behaviour in equipment operating in the creep and creep/fatigue range by assessing crack initiation and growth from existing defects. This paper considers the relevant structural integrity aspects of a high temperature fracture-based methodology by considering the background to the present codes and standards that are used, role of residual stresses and the theory which deals with cracked structures at elevated temperatures for components. An international collaborative effort under the auspices of the Versailles Agreement on Materials and Standards (VAMAS) is now underway to deal with these aspects and develop recommendations for standard bodies. Aging structures and components which are at the end of their operation design life need to prove safety levels in order to get approval for life extension. Even more stringent criteria for both clean and safe nuclear energy production are needed to improve public perception of the long term safety and societal compatibility with nuclear energy. Also the trends towards higher operating temperatures extend the life of existing nuclear power plant, mean that new and more accurate and reliable experimental data and fracture mechanics models on newer steels will be needed. Another important aspect of improving lifting

  16. Catalytic Synthesis Lactobionic Acid

    Directory of Open Access Journals (Sweden)

    V.G. Borodina

    2014-07-01

    Full Text Available Gold nanoparticles are obtained, characterized and deposited on the carrier. Conducted catalytic synthesis of lactobionic acid from lactose. Received lactobionic acid identify on the IR spectrum.

  17. Catalytic distillation process

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1982-01-01

    A method for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C.sub.4 feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  18. SPECIFIC DEGRADATION STRUCTURE FEATURES AND MECHANICAL PROPERTIES OF FURNACE AND HEAT POWER EQUIPMENT ELEMENTS AFTER LONG-TERM OPERATION

    Directory of Open Access Journals (Sweden)

    F. Panteleenko

    2012-01-01

    Full Text Available The paper presents results of investigations on structure and mechanical properties of technological equipment elements made of heat-resistant steels. A scale of chrome and molybdenum steel microstructure degradation based on evaluation of  coagulated carbide size and material mechanical properties (a point from 0-operation without time limits, up to 4-operation prohibition has been proposed in the paper. It has been  established that an analysis of  steel microstructure directly on equipment elements by means of a portable microscope is an efficient express method for evaluation of equipment condition and structures due to control of material structure degradation rate of a diagnosed object.

  19. Degradation mechanism of AlInGaP light emitting diodes during PMMA encapsulation and operation

    Energy Technology Data Exchange (ETDEWEB)

    Preuss, S.

    2007-11-15

    In this thesis we investigate the degradation mechanism of AlInGaP light emitting diodes (LEDs) during encapsulation and operation. The AlInGaP LEDs are encapsulated using an injection moulding tool. The molded part acts as physical housing as well as tailors the radiation pattern. Thus a narrow light beam with a spread angle of {alpha}=10 has been observed. The LED temperature has been measured by the voltage variation of the LED which is caused by the temperature change at a constant current. Thus the thermal load of the LED chips during the encapsulation process is investigated. To verify the temperature measurement a simulation based on the finite element method has been carried out. The experimental and theoretical data are in good agreement. The LED properties are investigated before and after the encapsulation. The results are compared and we found a reduction of the serial resistance and an enhanced luminous efficiency. The peak emission energy remained constant, but a peak broadening of {delta}E=9meV has been observed. A slight polarisation of the emitted light is an indication for a polarization effect of the polymethylmethacrylat (PMMA) housing. Accelerated degradation experiments using high forward currents are performed to estimate the lifetime of the PMMA encapsulated LEDs. A diffusion model is presented to explain the decay in luminous flux versus degradation time and degradation current. We believe that the reduction of quantum efficiency is caused by p-type dopant diffusion into the active layer where it acts as a non-radiative recombination centre. Using this model we determine the lifetime under the recommended drive current of I=20mA. The resulting lifetime is t=1.5.10{sup 6}h using a reduction of 50% in the luminous flux as failure criteria. (orig.)

  20. Catalytic Coanda combustion

    Energy Technology Data Exchange (ETDEWEB)

    Coleman, J.D.; Smith, A.G.; Kopmels, M.

    1992-09-16

    A catalytic reaction is enhanced by the use of the Coanda effect to maximise contact between reactant and catalyst. A device utilising this principle comprises a Coanda surface which directs the flow of fuel from a slot to form a primary jet which entrains the surrounding ambient air and forms a combustible mixture for reaction on a catalytic surface. The Coanda surface may have an internal or external nozzle which may be axi-symmetric or two-dimensional. (author)

  1. Possible involvement of membrane lipids peroxidation and oxidation of catalytically essential thiols of the cerebral transmembrane sodium pump as component mechanisms of iron-mediated oxidative stress-linked dysfunction of the pump's activity.

    Science.gov (United States)

    Omotayo, T I; Akinyemi, G S; Omololu, P A; Ajayi, B O; Akindahunsi, A A; Rocha, J B T; Kade, I J

    2015-01-01

    The precise molecular events defining the complex role of oxidative stress in the inactivation of the cerebral sodium pump in radical-induced neurodegenerative diseases is yet to be fully clarified and thus still open. Herein we investigated the modulation of the activity of the cerebral transmembrane electrogenic enzyme in Fe(2+)-mediated in vitro oxidative stress model. The results show that Fe(2+) inhibited the transmembrane enzyme in a concentration dependent manner and this effect was accompanied by a biphasic generation of aldehydic product of lipid peroxidation. While dithiothreitol prevented both Fe(2+) inhibitory effect on the pump and lipid peroxidation, vitamin E prevented only lipid peroxidation but not inhibition of the pump. Besides, malondialdehyde (MDA) inhibited the pump by a mechanism not related to oxidation of its critical thiols. Apparently, the low activity of the pump in degenerative diseases mediated by Fe(2+) may involve complex multi-component mechanisms which may partly involve an initial oxidation of the critical thiols of the enzyme directly mediated by Fe(2+) and during severe progression of such diseases; aldehydic products of lipid peroxidation such as MDA may further exacerbate this inhibitory effect by a mechanism that is likely not related to the oxidation of the catalytically essential thiols of the ouabain-sensitive cerebral electrogenic pump. PMID:25618580

  2. Possible involvement of membrane lipids peroxidation and oxidation of catalytically essential thiols of the cerebral transmembrane sodium pump as component mechanisms of iron-mediated oxidative stress-linked dysfunction of the pump's activity

    Directory of Open Access Journals (Sweden)

    T.I. Omotayo

    2015-04-01

    Full Text Available The precise molecular events defining the complex role of oxidative stress in the inactivation of the cerebral sodium pump in radical-induced neurodegenerative diseases is yet to be fully clarified and thus still open. Herein we investigated the modulation of the activity of the cerebral transmembrane electrogenic enzyme in Fe2+-mediated in vitro oxidative stress model. The results show that Fe2+ inhibited the transmembrane enzyme in a concentration dependent manner and this effect was accompanied by a biphasic generation of aldehydic product of lipid peroxidation. While dithiothreitol prevented both Fe2+ inhibitory effect on the pump and lipid peroxidation, vitamin E prevented only lipid peroxidation but not inhibition of the pump. Besides, malondialdehyde (MDA inhibited the pump by a mechanism not related to oxidation of its critical thiols. Apparently, the low activity of the pump in degenerative diseases mediated by Fe2+ may involve complex multi-component mechanisms which may partly involve an initial oxidation of the critical thiols of the enzyme directly mediated by Fe2+ and during severe progression of such diseases; aldehydic products of lipid peroxidation such as MDA may further exacerbate this inhibitory effect by a mechanism that is likely not related to the oxidation of the catalytically essential thiols of the ouabain-sensitive cerebral electrogenic pump.

  3. Methodical and experimental features of operative periodic control of mechanic properties in metal tubes of WWER-1000 reactors

    International Nuclear Information System (INIS)

    The results of the methodical development and the results of the base material of the weld metal mechanical properties control for the RU WWER-1000 tubing after 100 thousand hours of service are generalized. The problem of the tubing service life extension for the operating Power Station blocks of WWER-1000 of Russia and Ukraine is considered on the base of the control of mechanical properties that depend on ageing

  4. Catalytic effect of nano-sized ScH{sub 2} on the hydrogen storage of mechanically milled MgH{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Xuanli, E-mail: Xuanli.Luo@nottingham.ac.uk; Grant, David M., E-mail: David.Grant@nottingham.ac.uk; Walker, Gavin S., E-mail: Gavin.Walker@nottingham.ac.uk

    2015-02-15

    Highlights: • The ScH{sub 2} nanoparticles improved the MgH{sub 2} dehydrogenation kinetics. • Low activation energy of the dehydrogenation reaction (62 ± 5 kJ mol{sup −1}). • Optimal ScH{sub 2} catalyst content was ca. 12 mol.% to achieve lowest activation energy. • High cycling stability at relatively high temperature up to 450 °C. • The ScH{sub 2} nano-structure remained throughout cycling. - Abstract: The hydrogen storage properties of ball milled xMgH{sub 2}/(1 − x)ScH{sub 2} (x = 0.65-1) samples including capacity, kinetics, thermodynamics and cycling stability, were investigated. The effect of ScH{sub 2} catalyst content and ball milling duration on the kinetics of MgH{sub 2} dehydrogenation were studied. It was found that the optimal content of the catalyst ScH{sub 2} was ca. 12 mol.%, which gave an activation energy (E{sub a}) value of 62 ± 5 kJ mol{sup −1} and a hydrogen storage capacity of 5.8 ± 0.1 wt.% for the sample. There was no loss in kinetics in the ScH{sub 2} catalysed MgH{sub 2} system even after cycling at relatively high temperatures up to 450 °C, and the nano-sized ScH{sub 2} (ca. 70 nm) formed during ball milling remained after (de)hydrogenation cycling. Typical MgH{sub 2} dehydrogenation enthalpy (76 ± 1 kJ mol{sup −1} (H{sub 2})) and entropy (138 ± 2 J mol{sup −1} K{sup −1} (H{sub 2})) values observed by the 0.65MgH{sub 2}/0.35ScH{sub 2} sample demonstrated the effect of ScH{sub 2} was purely a catalytic improvement of the kinetics.

  5. The Catalytic Mechanism of Sorbitol Dehydrogenase and Its Role in the Process of Diapause of Different Species%山梨醇脱氢酶作用机制及其与滞育的关系

    Institute of Scientific and Technical Information of China (English)

    王艇

    2012-01-01

    Sorbitol dehydrogenase is a key enzyme in the polyol pathway,which oxidizes D-sorbitol,L-iditol,D-glucitol,D-xylitol,D-galactitol into fructose.The catalytic process needs the combination of Zinc and NADH.The Sorbitol dehydrogenase inhibitor binds to the SDH-NADH complex and competitive with fructose.SDH plays a key role in the process of termination of diapause,and of redevelopment of embryo of many different species.This review summarizes the structure and catalytic mechanism of SDH,and its role in the process of diapause of different species.%山梨醇脱氢酶(sorbitol dehydrogenase或SDH)是多元醇代谢通路中的关键酶,可将底物D-山梨醇、L-艾杜淳、D-木糖醇、D-半乳糖醇等氧化成果糖。催化需要金属离子Zinc和辅酶NAD+。SDH特异性抑制剂直接作用于SDH-NADH复合体,通过阻止产物的释放而抑制酶反应。在近些年对于不同生物打破滞育的研究中发现SDH是滞育胚胎再度开始发育的关键酶。对SDH结构,催化机制以及其与不同物种滞育之间关系的研究进展进行综述。

  6. Effect of operating frequency and phase angle on performance of Alpha Stirling cryocooler driven by a novel compact mechanism

    Science.gov (United States)

    Sant, K. D.; Bapat, S. L.

    2015-12-01

    Amongst the mechanical cryocoolers in use, Stirling cycle cryocoolers exhibit the desirable features such as high efficiency, low specific power consumption, small size and mass and large mean time before failure. Stirling cycle cryocooler of Alpha configuration exhibits better theoretical performance as compared to Gamma. However, the theory could not be put into practice due to unavailability of compatible drive mechanism for Alpha cryocooler providing large stroke to diameter ratio. The concept of novel compact drive mechanism can be made functional to operate miniature Alpha Stirling cryocoolers. It allows the use of multicylinder system while converting rotary motion to reciprocating. This permits the drive mechanism to be employed for driving different configurations of Stirling cryocooler simultaneously. This drive is capable of providing large stroke to diameter ratio compared to other drive mechanisms generally in use for the purpose. A stroke to diameter ratio of three is chosen in the present work and the drive dimensions are calculated for four piston-cylinder arrangements with 90° phase difference between adjacent arrangements providing two Alpha Stirling cryocoolers working simultaneously. It has to be noted that the coolers operate at half the frequency of the motor used. As the two coolers operate at phase difference of 180°, during compression stroke of one unit, the suction stroke occurs for the other unit. Due to power output of second unit, the combined peak torque requirement falls by 26.81% below the peak torque needed when one unit is operated separately. This allows for use of a comparatively lower torque motor. The practicability of the drive ensuring smooth operation of the system is decided based on comparison between torque availability from the motor and torque requirement of the complete unit. The second order method of cyclic (or thermodynamic) analysis provides a simple computational procedure useful for the design of Stirling

  7. The deactivation mechanism of Cl on Ce/TiO2 catalyst for selective catalytic reduction of NO with NH3

    Science.gov (United States)

    Yang, Ning-zhi; Guo, Rui-tang; Pan, Wei-guo; Chen, Qi-lin; Wang, Qing-shan; Lu, Chen-zi; Wang, Shu-xian

    2016-08-01

    The poisoning mechanism of Cl on Ce/TiO2 catalyst was investigated based on temperature programmed desorption (TPD) and the in situ diffuse reflectance infrared transform spectroscopy (DRIFT) studies. The results of NH3-TPD and NO-TPD indicated that the addition of Cl on Ce/TiO2 catalyst would inhibit the adsorption of NH3 species and NOx species on it. As can be seen from the results of in situ DRIFT study, the NH3-SCR reaction over Ce/TiO2 and Ce/TiO2-Cl were all followed both the Eley-Rideal mechanism and the Langmuir-Hinshelwood mechanism. And the decreased adsorption ability of NH3 species and NOx species on the surface of Ce/TiO2-Cl should be mainly responsible for its low SCR activity.

  8. Effects of aggregating forests, establishing forest road networks, and mechanization on operational efficiency and costs in a mountainous re-gion in Japan

    Institute of Scientific and Technical Information of China (English)

    Kazuhiro Aruga; Gyo Hiyamizu; Chikara Nakahata; Masashi Saito

    2013-01-01

    We investigated forest road networks and forestry operations before and after mechanization on aggregated forestry operation sites. We developed equations to estimate densities of road networks with average slope angles, operational efficiency of bunching operations with road network density, and average forwarding distances with operation site areas. Subsequently, we analyzed the effects of aggregating forests, establishing forest road networks, and mechanization on operational efficiency and costs. Six ha proved to be an appropriate operation site area with minimum operation expenses. The operation site areas of the forest owners’ cooperative in this region aggregated approximately 6 ha and the cooperative conducted forestry operations on aggregated sites. Therefore, 6 ha would be an appropriate operation site area in this region. Regarding road network density, higher-density road networks increased operational expenses due to the higher direct operational expenses of strip road establishment. Therefore, road network density should be reduced to approximately 200 m⋅ha-1 within average pre-yarding dis-tances on which a grapple loader could conduct bunching without winching. With larger stem volumes a larger reduction in operational expenses occurred for the mechanized operation system compared to the conventional operation system. However, with smaller stem volumes, the operational expenses for the mechanized operation system were higher than for the conventional operation system. Therefore, the appropriate operation system and machine sizes should be determined based on stem volumes.

  9. Catalytic treatment of diesel engines, NOx emissions

    International Nuclear Information System (INIS)

    Some aspects of the operation of diesel engines are revised together with the pollutant emissions they produce, as well as the available catalytic technologies for the treatment of diesel emissions. Furthermore the performance of a catalyst developed in the environmental catalysis group for NOx reduction using synthetic gas mixtures simulating the emissions from diesel engines is presented

  10. Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate. Identification of the catalytic base.

    Science.gov (United States)

    Ha, Jun Yong; Min, Ji Young; Lee, Su Kyung; Kim, Hyoun Sook; Kim, Do Jin; Kim, Kyoung Hoon; Lee, Hyung Ho; Kim, Hye Kyung; Yoon, Hye-Jin; Suh, Se Won

    2006-07-01

    Nitroalkane compounds are widely used in chemical industry and are also produced by microorganisms and plants. Some nitroalkanes have been demonstrated to be carcinogenic, and enzymatic oxidation of nitroalkanes is of considerable interest. 2-Nitropropane dioxygenases from Neurospora crassa and Williopsis mrakii (Hansenula mrakii), members of one family of the nitroalkane-oxidizing enzymes, contain FMN and FAD, respectively. The enzymatic oxidation of nitroalkanes by 2-nitropropane dioxygenase operates by an oxidase-style catalytic mechanism, which was recently shown to involve the formation of an anionic flavin semiquinone. This represents a unique case in which an anionic flavin semiquinone has been experimentally observed in the catalytic pathway for oxidation catalyzed by a flavin-dependent enzyme. Here we report the first crystal structure of 2-nitropropane dioxygenase from Pseudomonas aeruginosa in two forms: a binary complex with FMN and a ternary complex with both FMN and 2-nitropropane. The structure identifies His(152) as the proposed catalytic base, thus providing a structural framework for a better understanding of the catalytic mechanism. PMID:16682407

  11. Catalytic reforming feed characterisation technique

    Energy Technology Data Exchange (ETDEWEB)

    Larraz Mora, R.; Arvelo Alvarez, R. [Univ. of La Laguna, Chemical Engineering Dept., La Laguna (Spain)

    2002-09-01

    The catalytic reforming of naphtha is one of the major refinery processes, designed to increase the octane number of naphtha or to produce aromatics. The naphtha used as catalytic reformer feedstock usually contains a mixture of paraffins, naphthenes, and aromatics in the carbon number range C{sub 6} to C{sub 10}. The detailed chemical composition of the feed is necessary to predict the aromatics and hydrogen production as well as the operation severity. The analysis of feed naphtha is usually reported in terms of its ASTM distillation curve and API or specific gravity. Since reforming reactions are described in terms of lumped chemical species (paraffins, naphthenes and aromatics), a feed characterisation technique should be useful in order to predict reforming operating conditions and detect feed quality changes. Unfortunately online analyzer applications as cromatography or recently introduced naphtha NMR [1] are scarce in most of refineries. This work proposes an algorithmic characterisation method focusing on its main steps description. The method could help on the subjects previously described, finally a calculation example is shown. (orig.)

  12. Quantum Mechanical Hilbert Transformation for Normally Ordering Coulomb Potential-Type Operators

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi; FU Liang

    2006-01-01

    We show that the technique of integration within an ordered product of operators can be extended to Hilbert transform. In so doing we derive normally ordered expansion of Coulomb potential-type operators directly by using the mathematical Hilbert transform formula.

  13. New insights into the activation mechanism of store-operated calcium channels:roles of STIM and Orai

    Institute of Scientific and Technical Information of China (English)

    Rui-wei GUO; Lan HUANG

    2008-01-01

    The activation of Ca2+ entry through store-operated channels by agonists that deplete Ca2+ from the endoplasmic reticulum (ER)is a ubiquitous signaling mechanism,the molecular basis of which has remained elusive for the past two decades.Store-operated Ca2+-release-activated Ca2+(CRAC)channels constitute the sole pathway for Ca2+ entry following antigen-receptor engagement.In a set of breakthrough studies over the past two years,stromal interaction molecule l(STIM1,tbe ER Ca2+ sensor) and Orail(a pore-forming subunit of the CRAC channel)have been identified.Here we review these recent studies and the insights they provide into the mechanism of store-operated Ca2+ channels(SOCCs).

  14. Neural Operant Conditioning as a Core Mechanism of Brain-Machine Interface Control

    Directory of Open Access Journals (Sweden)

    Yoshio Sakurai

    2016-08-01

    Full Text Available The process of changing the neuronal activity of the brain to acquire rewards in a broad sense is essential for utilizing brain-machine interfaces (BMIs, which is essentially operant conditioning of neuronal activity. Currently, this is also known as neural biofeedback, and it is often referred to as neurofeedback when human brain activity is targeted. In this review, we first illustrate biofeedback and operant conditioning, which are methodological background elements in neural operant conditioning. Then, we introduce research models of neural operant conditioning in animal experiments and demonstrate that it is possible to change the firing frequency and synchronous firing of local neuronal populations in a short time period. We also debate the possibility of the application of neural operant conditioning and its contribution to BMIs.

  15. The Execution Mechanism in Curriculum Operation System%课程运作系统中的执行机制

    Institute of Scientific and Technical Information of China (English)

    安瑞霞

    2011-01-01

    In the process of curriculum operation,the degrees of curriculum policies' realization depend on whether the curriculum execution mechanism is sound or not.So we should pay attention to the study of curriculum execution mechanism,and explicit its status and values through discussing the functions,factors and operation paradigms of curriculum execution mechanism.%在课程运作过程中,课程执行机制的健全与否将直接制约着课程政策的实现程度。因此,我们应该关注课程执行机制的研究,通过对课程执行机制的功能、要素以及运作范型的探讨,进一步明确课程运作机制的地位与价值。

  16. The mechanism of specific capacitance improvement of supercapacitors based on MnO2 at an elevated operating temperature

    International Nuclear Information System (INIS)

    Amorphous nanostructured MnO2 film was anodically deposited onto economical duplex stainless steel substrate. The obtained MnO2 film was characterized by X-ray diffraction, scanning electron microscopy, and energy dispersive X-ray spectroscopy for microstructural, morphological, and compositional studies. The capacitive behavior was systematically investigated by cyclic voltammetry, charge–discharge cycling and electrochemical impedance spectroscopy (EIS) in 1 M Na2SO4 electrolyte at different operating temperatures ranging from 20 to 60 °C. The specific capacitance (SC) was improved with an increase of operating temperature, and the highest SC of 398 F/g was achieved at a scan rate of 10 mV/s and operating temperature of 60 °C. The mechanism of SC improvement at elevated operating temperature was investigated using EIS. With an increase of operating temperature, the conductivity of electrolyte was improved, and the charge-transfer resistance (Rct) was decreased. The temperature dependence of 1/Rct follows an Arrhenius equation. The MnO2 film was electrochemically activated at 60 °C due to the formation of NayMnO2 after discharging. - Highlights: ► MnO2 was anodically deposited onto duplex stainless steel substrate. ► The effect of operating temperature on the performance of MnO2 was studied. ► The mechanism of specific capacitance improvement was investigated.

  17. Measurement of the Operating Parameters and Numerical Analysis of the Mechanical Subsystem

    Directory of Open Access Journals (Sweden)

    Božek Pavol

    2014-08-01

    Full Text Available Submission is focused on completing the information system about quality, operation, automatic testing and new evaluating method of vehicle subsystem. Numeric analysis is carried out on the base of automatic collection and systematic recording of commercial car operation. Proposed new information system about operation and trial process allows verification according to the proposed method. Critical components verified in laboratory conditions are detected by numeric analysis of reliability. Quality level increasing not only for final product, but also related automatic test laboratory for cars is the result of respecting these principles.

  18. Condiciones Extremas de Operación en Unidades de Desintegración Catalítica y Multiplicidad de Estados Estacionarios Severe Operating Conditions in Catalytic Cracking Units and Multiplicity of Steady-States

    Directory of Open Access Journals (Sweden)

    José R Hernández-Barajas

    2007-01-01

    Full Text Available Se ha estudiado y analizado las condiciones extremas de operación en unidades de desintegración catalítica y su efecto en la multiplicidad de estados estacionarios. El modelo propuesto está basado en ecuaciones de conservación de materia y energía y ha permitido demostrar que, para ambos modos de combustión, parcial y total, existen entre uno y cinco estados estacionarios. La multiplicidad más común ocurre cuando existen tres estados estacionarios que se presentan a condiciones típicas de operación. La existencia de un solo estado estacionario es producida por una disminución abrupta en la eficiencia de la fluidización y distribución del aire en el regenerador. Se han determinado los dominios de atracción y las trayectorias dinámicas de cada estado estacionario en ese escenario y se sugiere que se debe tomar en consideración este fenómeno en el diseño de una estrategia de control robusto. Finalmente, se muestra que la existencia de cinco estados estacionarios está relacionada con una disminución de la velocidad de oxidación heterogénea del monóxido de carbonoThis paper studies an analyzes the effect of severe operating conditions in catalytic cracking units on multiplicity of steady-states. The model proposed here is based on mass and energy conservative equations and has been able to demonstrate the existence of one to five steady states for both partial and complete combustion regimes. The most common multiplicity is the existence of three steady states that occurs at typical operating conditions. The existence of a unique steady state is produced by an abrupt decrease in both fluidization effectiveness and air distribution inside the regenerator. Attraction domains and dynamic trajectories of each steady state have been determined for this scenario and is suggested that this phenomenon must be taken into account in the design of a robust control strategy. Finally, it is shown that the existence of five steady states is

  19. The evolution of catalytic function

    Science.gov (United States)

    Maurel, Marie-Christine; Ricard, Jacques

    2006-03-01

    It is very likely that the main driving force of enzyme evolution is the requirement to improve catalytic and regulatory efficiency which results from the intrinsic performance as well as from the spatial and functional organization of enzymes in living cells. Kinetic co-operativity may occur in simple monomeric proteins if they display “slow” conformational transitions, at the cost of catalytic efficiency. Oligomeric enzymes on the other hand can be both efficient and co-operative. We speculate that the main reason for the emergence of co-operative oligomeric enzymes is the need for catalysts that are both cooperative and efficient. As it is not useful for an enzyme to respond to a change of substrate concentration in a complex kinetic way, the emergence of symmetry has its probable origin in a requirement for “functional simplicity”. In a living cell, enzyme are associated with other macromolecules and membranes. The fine tuning of their activity may also be reached through mutations of the microenvironment. Our hypothesis is that these mutations are related to the vectorial transport of molecules, to achieve the hysteresis loops of enzyme reactions generated by the coupling of reaction and diffusion, through the co-operativity brought about by electric interactions between a charged substrate and a membrane, and last but not least, through oscillations. As the physical origins of these effects are very simple and do not require complex molecular devices, it is very likely that the functional advantage generated by the spatial and functional organization of enzyme molecules within the cell have appeared in prebiotic catalysis or very early during the primeval stages of biological evolution. We shall began this paper by presenting the nature of the probable earliest catalysts in the RNA world.

  20. A Prioritised Traffic Embedding Mechanism enabling a Public Safety Virtual Operator

    OpenAIRE

    van de Belt, Jonathan; Ahmadi, Hamed; Doyle, Linda E.; Sallent, Oriol

    2015-01-01

    Public Protection and Distaster Relief (PPDR) services can benefit greatly from the availability of mobile broadband communications in disaster and emergency scenarios. While undoubtedly offering full control and reliability, dedicated networks for PPDR have resulted in high operating costs and a lack of innovation in comparison to the commercial domain. Driven by the many benefits of broadband communications, PPDR operators are increasingly interested in adopting mainstream commercial techno...

  1. 催化动力学光度法测定青霉素G及其机理研究%Catalytic kinetic spectrophotometric determination of penicillin G and mechanism analysis

    Institute of Scientific and Technical Information of China (English)

    毕莉; 张丹扬; 张尹; 杨亚玲

    2011-01-01

    研究了在青霉素G存在下双氧水氧化苋菜红的褪色反应,建立了催化动力学光度法测定微量青霉素G的方法.方法线性范围为0.20~4.00μg/mL,回归方程y=-0.015p(μg/mL)+0.311,r=0.9998;方法线性范围为4.00~50.0μg/mL,回归方程y=0.001p(μg/mL)+0.280,r=0.9997.并对反应机理进行了探讨.方法的测定波长均为520nm,检出限为10μg/mL,相对标准偏差为1.3%,回收率为97.8%~103.1%.%The new catalytic kinetic spectrophotometric determination for trace amounts of penicillin G was proposed based on the fading effect of amaranth using hydrogen peroxide as an oxidizing agent. The lower concentration range of penicillin G obeys catalytic kinetic spectrophotometric mechanism analysis, the linear range of determination is 0. 20 -4. 00 μg/mL, the regression equation is y = -0. 015p(μg/mL) +0. 311 with correlation coefficient of r = 0. 9998. And the higher concentration range obeys inhibitory kinetics spectrophotometric mechanism analysis, the linear range of determination is 4. 00 ~ 50. 0 μg/mL, and y =0. 001p(p,g/mL) + 0. 280 with r = 0. 9997. The determination wavelength is 520 nm. The detection limit is 1.0 × 10-7g/mL. The maximum relative standard deviation is 1.3%. The recoveries are 97.8% ~ 103. 1%.

  2. Detection circuit of solenoid valve operation and control rod drive mechanism utilizing the circuit

    International Nuclear Information System (INIS)

    Object: To detect the operation of a plunger and detect opening and closing operations of a solenoid valve driving device due to change in impedance of a coil for driving the solenoid valve to judge normality and abnormality of the solenoid valve, thereby increasing reliance and safety of drive and control apparatus of control rods. Structure: An arrangement comprises a drive and operation detector section wherein the operation of a solenoid driving device for controlling power supply to a coil for driving the solenoid valve to control opening and closing of the solenoid valve, and a plunger operation detector section for detecting change in impedance of the drive coil to detect that the plunger of the solenoid valve is either in the opening direction or closing direction, whereby a predetermined low voltage such as not to activate the solenoid valve even when the solenoid valve is open or closed is applied to detect a current flowing into the coil at that time, thus detecting an operating state of the plunger. (Yoshino, Y.)

  3. Use catalytic combustion for LHV gases

    Energy Technology Data Exchange (ETDEWEB)

    Tucci, E.R.

    1982-03-01

    This paper shows how low heating value (LHV) waste gases can be combusted to recover energy even when the gases won't burn in a normal manner. Significant energy and economic savings can result by adopting this process. Catalytic combustion is a heterogeneous surface-catalyzed air oxidation of fuel, gaseous or liquid, to generate thermal energy in a flameless mode. The catalytic combustion process is quite complex since it involves numerous catalytic surface and gas-phase chemical reactions. During low temperature surface-catalyzed combustion, as in start-up, the combustion stage is under kinetically controlled conditions. The discussion covers the following topics - combustor substrates; combustor washcoating and catalyzing; combustor operational modes (turbine or tabular modes); applications in coal gasification and in-situ gasification; waste process gases. 16 refs.

  4. A computational study of detoxification of lewisite warfare agents by British anti-lewisite: catalytic effects of water and ammonia on reaction mechanism and kinetics.

    Science.gov (United States)

    Sahu, Chandan; Pakhira, Srimanta; Sen, Kaushik; Das, Abhijit K

    2013-04-25

    trans-2-Chlorovinyldichloroarsine (lewisite, L agent, Lew-I) acts as a blistering agents. British anti-lewisite (BAL, 2,3-dimercaptopropanol) has long been used as an L-agent antidote. The main reaction channels for the detoxification proceed via breaking of As-Cl bonds and formation of As-S bonds, producing stable, nontoxic ring product [(2-methyl-1,3,2-dithiarsolan-4-yl)methanol]. M06-2X/GENECP calculations have been carried out to establish the enhanced rate of detoxification mechanism in the presence of NH3 and H2O catalysts in both gas and solvent phases, which has been modeled by use of the polarized continuum model (PCM). In addition, natural bond orbital (NBO) and atoms in molecules (AIM) analysis have been performed to characterize the intermolecular hydrogen bonding in the transition states. Transition-state theory (TST) calculation establishes that the rates of NH3-catalyzed (2.88 × 10(-11) s(-1)) and H2O-catalyzed (2.42 × 10(-11) s(-1)) reactions are reasonably faster than the uncatalyzed detoxification (5.44 × 10(-13) s(-1)). The results obtained by these techniques give new insight into the mechanism of the detoxification process, identification and thermodynamic characterization of the relevant stationary species, the proposal of alternative paths on modeled potential energy surfaces for uncatalyzed reaction, and the rationalization of the mechanistic role played by catalysts and solvents. PMID:23540856

  5. Model-based analysis of the effect of different operating conditions on fouling mechanisms in a membrane bioreactor.

    Science.gov (United States)

    Sabia, Gianpaolo; Ferraris, Marco; Spagni, Alessandro

    2016-01-01

    This study proposes a model-based evaluation of the effect of different operating conditions with and without pre-denitrification treatment and applying three different solids retention times on the fouling mechanisms involved in membrane bioreactors (MBRs). A total of 11 fouling models obtained from literature were used to fit the transmembrane pressure variations measured in a pilot-scale MBR treating real wastewater for more than 1 year. The results showed that all the models represent reasonable descriptions of the fouling processes in the MBR tested. The model-based analysis confirmed that membrane fouling started by pore blocking (complete blocking model) and by a reduction of the pore diameter (standard blocking) while cake filtration became the dominant fouling mechanism over long-term operation. However, the different fouling mechanisms occurred almost simultaneously making it rather difficult to identify each one. The membrane "history" (i.e. age, lifespan, etc.) seems the most important factor affecting the fouling mechanism more than the applied operating conditions. Nonlinear regression of the most complex models (combined models) evaluated in this study sometimes demonstrated unreliable parameter estimates suggesting that the four basic fouling models (complete, standard, intermediate blocking and cake filtration) contain enough details to represent a reasonable description of the main fouling processes occurring in MBRs. PMID:26377972

  6. Studies on the function and catalytic mechanism of O-methyltransferases SviOMT02, SviOMT03 and SviOMT06 from Streptomyces virginiae IBL14.

    Science.gov (United States)

    Zhang, Yan; Han, Mao-Zhen; Zhu, Shu-Liang; Li, Man; Dong, Xiang; Luo, Xue-Cai; Kong, Zhe; Lu, Yun-Xia; Wang, Shu-Yan; Tong, Wang-Yu

    2015-06-01

    To identify the fuctions of the nine putative O-methyltransferase genes in Streptomyces virginiae IBL14, the evolutionary and functional relationship of these genes in its 8.0 Mb linear chromosome was set up via sequence comparison with those of other Streptomyces species. Further, the functions and catalytic mechanism of the three genes sviOMT02, sviOMT03 and sviOMT06 from this strain were studied through experimental and computational approaches. As a result, the nine putative O-methyltransferases belong to methyltransf_2 superfamily, amdomet-MTases superfamily, and leucine carboxyl methyltransferase superfamily, and are phylogenetically close to those of Streptomyces sp. C. The products of genes sviOMT03 and sviOMT06 could catalyze O-methylation of caffeic acid to form ferulic acid. Computational analysis indicated that the O-methylation mechanism of SviOMT03 and SviOMT06 proceeds from a direct transfer of the SAM-methyl group to caffeic acid with inversion of symmetry aided by a divalent metal ion in a SN2-like mechanism. Particularly, the conservative polar amino acid residues in SviOMT03 and SviOMT06, including Lys143 that reacts with caffeic acid, Ser74, Asp140 and Tyr149 that react with S-adenosyl methionine, and His142 (SviOMT03) or His171 (SviOMT06) that transfers the 3-hydroxyl proton of substrate caffeic acid, probably be essential in their O-methylation. PMID:26002507

  7. Catalytic microreactors for portable power generation

    Energy Technology Data Exchange (ETDEWEB)

    Karagiannidis, Symeon [Paul Scherer Institute, Villigen (Switzerland)

    2011-07-01

    ''Catalytic Microreactors for Portable Power Generation'' addresses a problem of high relevance and increased complexity in energy technology. This thesis outlines an investigation into catalytic and gas-phase combustion characteristics in channel-flow, platinum-coated microreactors. The emphasis of the study is on microreactor/microturbine concepts for portable power generation and the fuels of interest are methane and propane. The author carefully describes numerical and experimental techniques, providing a new insight into the complex interactions between chemical kinetics and molecular transport processes, as well as giving the first detailed report of hetero-/homogeneous chemical reaction mechanisms for catalytic propane combustion. The outcome of this work will be widely applied to the industrial design of micro- and mesoscale combustors. (orig.)

  8. Combined Electrolysis and Catalytic Exchange (CECE) upgraders - an alternative to Water Distillation (DW) heavy water upgraders

    International Nuclear Information System (INIS)

    All operating CANDU stations are equipped with Water Distillation (DW) systems for heavy water upgrading. An alternative process, Combined Electrolysis and Catalytic Exchange (CECE), is being considered for use in future CANDU stations. The CECE process has several operating advantages over DW systems, including lower emissions and heavy water losses. Changes in nuclear standards may change seismic requirements and classification of upgrader systems. These changes will likely increase the cost of heavy water upgraders, but the cost increase will be smaller for a CECE upgrader. Research at Chalk River Labs has identified materials for use in the CECE process that will not chemically or mechanically degrade when exposed to highly tritiated water. (author)

  9. Remaining life prediction methods using operating data and knowledge on mechanisms

    International Nuclear Information System (INIS)

    It is important to be able to predict the remaining life of components and structures in a power plant, both for nuclear and fossil units. The information needed can be obtained from controlled laboratory experiments and the plant operating data. On materials degradation, large amounts of data from both sources are available. However, it is essential to formulate the best methodology to utilize this information so that our needs can be met. In this paper, the methods currently used for remaining life prediction are discussed with typical results. For components with multi-subcomponents such as globe valves, it is not possible to predict the remaining life using operating data, even though useful information related to aging characteristics can be obtained. On the other hand, operating data can be used to predict the remaining life of a steam generator (SG), since the degradation of the tubes is the life limiting factor for a SG. It is shown in this paper that Weibull statistics is a useful tool in predicting the remaining life of a component utilizing the operating data. Mechanistic approaches are also necessary in formulating the working hypothesis, which can be validated by experiments and in some cases by utilizing the operating data. (orig.)

  10. Control of the mechanical properties of the shell materials of water-moderated reactors to ensure their operational safety

    International Nuclear Information System (INIS)

    Methods ensuring control of the mechanical properties of the materials of the reactor vessels are considered to elaborate the grounds of the reactor operational safety and ensure it. Information about radiation- and hydrogen resistance of the materials is given as applied to the nonclad reactor vessels. A method of using small-size impact samples for determination of the critical temperature of embrittlement is substantiated for the reactor vessels in-service. A procedure is proposed for determination of the radiation endurance of the vessels subjected to annealing aimed at enhancing the operational safety of the reactors

  11. Catalytic methanol dissociation

    International Nuclear Information System (INIS)

    Results of the methanol dissociation study on copper/potassium catalyst with alumina support at various temperatures are presented. The following gaseous and liquid products at. The catalytic methanol dissociation is obtained: hydrogen, carbon monoxide, carbon dioxide, methane, and dimethyl ether. Formation rates of these products are discussed. Activation energies of corresponding reactions are calculated

  12. Catalytic Phosphination and Arsination

    Institute of Scientific and Technical Information of China (English)

    Kwong Fuk Yee; Chan Kin Shing

    2004-01-01

    The catalytic, user-friendly phosphination and arsination of aryl halides and triflates by triphenylphosphine and triphenylarsine using palladium catalysts have provided a facile synthesis of functionalized aryl phosphines and arsines in neutral media. Modification of the cynaoarisne yielded optically active N, As ligands which will be screened in various asymmetric catalysis.

  13. Small-Scale Mechanical Testing on Proton Beam-Irradiated 304 SS from Room Temperature to Reactor Operation Temperature

    Science.gov (United States)

    Vo, H.; Reichardt, A.; Howard, C.; Abad, M. D.; Kaoumi, D.; Chou, P.; Hosemann, P.

    2015-12-01

    Austenitic stainless steels are common structural components in light water reactors. Because reactor components are subjected to harsh conditions such as high operating temperatures and neutron radiation, they can undergo irradiation-induced embrittlement and related failure, which compromises reliable operation. Small-scale mechanical testing has seen widespread use as a testing method for both ion- and reactor-irradiated materials because it allows access to the mechanical properties of the ion beam-irradiated region, and for safe handling of a small amount of activated material. In this study, nanoindentation and microcompression testing were performed on unirradiated and 10 dpa proton-irradiated 304 SS, from 25°C to 300°C. Increases in yield stress (YS), critical resolved shear stress (CRSS) and hardness ( H) were seen in the irradiated region relative to the unirradiated region. Relationships between H, YS, and CRSS of irradiated and unirradiated materials are discussed over this temperature range.

  14. Increasing nuclear safety and operational reliability by upgrading the charging pump mechanical sealing system

    International Nuclear Information System (INIS)

    For the Ringhals-2 nuclear power plant, three installed centrifugal pumps were designated to have a combined High Head Safety Injection function, as well as a Chemical Volume Control System function. The pumps were originally installed with rubber bellow type mechanical seals, which over time had demonstrated an unreliable sealing performance by displaying high leakages. In 2002, the Ringhals Maintenance engineers initiated to identify a more reliable and robust shaft sealing solution. In 2007, the project was launched and the installation of the first, new mechanical sealing solution took place in the autumn of 2011. In October 2014, these mechanical seals were dismantled and inspected. The inspection confirmed the expected reliability of the new solution.

  15. Increasing nuclear safety and operational reliability by upgrading the charging pump mechanical sealing system

    Energy Technology Data Exchange (ETDEWEB)

    Loenhout, Gerard van [Flowserve Corporation, Etten-Leur (Netherlands); Nilsson, Peter [Flowsys Technologies AB, Moelndal (Sweden); Jehander, Magnus [Ringhals AB, Vaeroebacka (Sweden)

    2016-07-01

    For the Ringhals-2 nuclear power plant, three installed centrifugal pumps were designated to have a combined High Head Safety Injection function, as well as a Chemical Volume Control System function. The pumps were originally installed with rubber bellow type mechanical seals, which over time had demonstrated an unreliable sealing performance by displaying high leakages. In 2002, the Ringhals Maintenance engineers initiated to identify a more reliable and robust shaft sealing solution. In 2007, the project was launched and the installation of the first, new mechanical sealing solution took place in the autumn of 2011. In October 2014, these mechanical seals were dismantled and inspected. The inspection confirmed the expected reliability of the new solution.

  16. Increasing nuclear safety and operational reliability by upgrading the charging pump mechanical sealing system

    Energy Technology Data Exchange (ETDEWEB)

    Loenhout, Gerard van [Flowserve Corporation, Etten-Leur (Netherlands); Nilsson, Peter [Flowsys Technologies AB, Moelndal (Sweden); Jehander, Magnus [Ringhals AB, Vaeroebacka (Sweden)

    2016-03-15

    For the Ringhals-2 nuclear power plant, three installed centrifugal pumps were designated to have a combined High Head Safety Injection function, as well as a Chemical Volume Control System function. The pumps were originally installed with rubber bellow type mechanical seals, which over time had demonstrated an unreliable sealing performance by displaying high leakages. In 2002, the Ringhals Maintenance engineers initiated to identify a more reliable and robust shaft sealing solution. In 2007, the project was launched and the installation of the first, new mechanical sealing solution took place in the autumn of 2011. In October 2014, these mechanical seals were dismantled and inspected. The inspection confirmed the expected reliability of the new solution.

  17. MgATP-concentration dependence of protection of yeast vacuolar V-ATPase from inactivation by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole supports a bi-site catalytic mechanism of ATP hydrolysis.

    Science.gov (United States)

    Milgrom, Elena M; Milgrom, Yakov M

    2012-06-29

    Catalytic site occupancy of the yeast vacuolar V-ATPase during ATP hydrolysis in the presence of an ATP-regenerating system was probed using sensitivity of the enzyme to inhibition by 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole (NBD-Cl). The results show that, regardless of the presence or absence of the proton-motive force across the vacuolar membrane, saturation of V-ATPase activity at increasing MgATP concentrations is accompanied by only partial protection of the enzyme from inhibition by NBD-Cl. Both in the presence and absence of an uncoupler, complete protection of V-ATPase from inhibition by NBD-Cl requires MgATP concentrations that are significantly higher than those expected from the K(m) values for MgATP. The results are inconsistent with a tri-site model and support a bi-site model for a mechanism of ATP hydrolysis by V-ATPase. PMID:22659742

  18. Rates and mechanisms of conversion of ice nanocrystals to ether clathrate hydrates: guest-molecule catalytic effects at approximately 120 k.

    Science.gov (United States)

    Gulluru, Dheeraj B; Devlin, J Paul

    2006-02-01

    A Fourier transform infrared investigation of the rates and energetics of conversion of ice nanocrystals within 3-D arrays to ether clathrate-hydrate (CH) particles at approximately 120 K is reported. After an induction period, apparently necessitated by relatively slow nucleation of the CH phase, the well-established shrinking-core model of particle-adsorbate reaction applies to these conversions in the presence of an abundance of adsorbed ether. This implies that the transport of the ether adsorbate through the product crust encasing a reacting particle core (a necessary aspect of a particle reaction mechanism) is the rate-controlling factor. Diffusion moves adsorbed reactant molecules to the reaction zone at the interface of the ice core with the product (CH) crust. The results indicate that ether hydrate formation rates near 120 K resemble rates for gas hydrates measured near 260 K, implying rates greater by many orders of magnitude for comparable temperatures. A surprising secondary enhancement of ether CH-formation rates by the simultaneous incorporation of simple small gas molecules (N2, CO2, CH4, CO, and N2O) has also been quantified in this study. The rapid CH formation at low temperatures is conjectured to derive from defect-facilitated transport of reactants to an interfacial reaction zone, with the defect populations enhanced through transient H bonding of guest-ether proton-acceptor groups with O-H groups of the hydrate cage walls. PMID:16451023

  19. Recent Advances on Electro-Oxidation of Ethanol on Pt- and Pd-Based Catalysts: From Reaction Mechanisms to Catalytic Materials

    Directory of Open Access Journals (Sweden)

    Ye Wang

    2015-09-01

    Full Text Available The ethanol oxidation reaction (EOR has drawn increasing interest in electrocatalysis and fuel cells by considering that ethanol as a biomass fuel has advantages of low toxicity, renewability, and a high theoretical energy density compared to methanol. Since EOR is a complex multiple-electron process involving various intermediates and products, the mechanistic investigation as well as the rational design of electrocatalysts are challenging yet essential for the desired complete oxidation to CO2. This mini review is aimed at presenting an overview of the advances in the study of reaction mechanisms and electrocatalytic materials for EOR over the past two decades with a focus on Pt- and Pd-based catalysts. We start with discussion on the mechanistic understanding of EOR on Pt and Pd surfaces using selected publications as examples. Consensuses from the mechanistic studies are that sufficient active surface sites to facilitate the cleavage of the C–C bond and the adsorption of water or its residue are critical for obtaining a higher electro-oxidation activity. We then show how this understanding has been applied to achieve improved performance on various Pt- and Pd-based catalysts through optimizing electronic and bifunctional effects, as well as by tuning their surface composition and structure. Finally we point out the remaining key problems in the development of anode electrocatalysts for EOR.

  20. Operation Mechanism of Farmers’ Professional Cooperatives from the Point of Low-Carbon Agricultural Products

    OpenAIRE

    Huang, Lei; Cheng, Yu-gui

    2012-01-01

    We firstly take a look at internal logic of cluster development of low-carbon agricultural products. In combination with operation features of farmers’ professional cooperatives and actual requirements for cluster development of low-carbon agricultural products; we elaborate establishing benefit allocation mechanism, bearing education and training functions, forming low-carbon value, building low-carbon identification system, as well as realizing low-carbon value. According to these situati...

  1. Concentrating solar power plant investment and operation decisions under different price and support mechanisms

    International Nuclear Information System (INIS)

    The dispatch opportunities provided by storage-enhanced Concentrating Solar Power (CSP) plants have direct implications on the investment decisions as not only nameplate capacity but also the storage capacity and the solar multiple play a crucial role for the viability of the plant investment. By integrating additional technical aspects and operation strategies, this paper extends the optimization model proposed by Madaeni et al., How Thermal Energy Storage Enhances the Economic Viability of Concentrating Solar Power. Using a mixed integer maximization approach the paper yields both the optimal layout decision and the operation of CSP plants. Subsequently, the economic value of CSP storage is analyzed via energy modeling of a Spanish plant location under the respective wholesale market prices as well as the local feed-in tariff. The analysis shows that investment incentives for CSP plants with storage need to appropriately account for the interdependency between the price incentives and the plant operating strategy. As the resulting revenue characteristics influence the optimal size of solar field and storage differing operating strategies also give rise to differing optimal plant layouts. Most noteworthy, the current Spanish support scheme offers only limited incentives for larger thermal storage capacity. - Highlights: • Dispatch opportunities of CSP have direct implications on both investment and operational decisions. • Valuation approach with a single mixed integer maximization problem. • Profitability of CSP plants under the premium feed-in tariff in Spain was assessed. • Layout decision and storage size are influenced by remuneration scheme. • Discuss alternative remuneration schemes for “dispatchable” RE technologies

  2. Robotics and Mechanisms Laboratory develops a low cost, dexterous robotic hand operated by compressed air

    OpenAIRE

    Mackay, Steven D.

    2009-01-01

    The Robotics and Mechanisms Laboratory (RoMeLa) of the College of Engineering at Virginia Tech has developed a unique robotic hand that can firmly hold objects as heavy as a can of food or as delicate as a raw egg, while dexterous enough to gesture for sign language.

  3. USE OF THE THERMOVISION TO INCREASE SAFETY IN OPERATING OF THE MECHANICAL SYSTEMS

    Directory of Open Access Journals (Sweden)

    Marin NEACSA

    2013-05-01

    Full Text Available In this paper is presented the way we can use the thermovision in detecting of the degradationprocesses of the mobile mechanical systems. It is also presented a method for establishing of theprofitableness in using thermovision to identify priority applications of this technology

  4. Catalytic mechanism of Zn2+-dependent polyol dehydrogenases: kinetic comparison of sheep liver sorbitol dehydrogenase with wild-type and Glu154→Cys forms of yeast xylitol dehydrogenase

    Science.gov (United States)

    Klimacek, Mario; Hellmer, Heidemarie; Nidetzky, Bernd

    2007-01-01

    Co-ordination of catalytic Zn2+ in sorbitol/xylitol dehydrogenases of the medium-chain dehydrogenase/reductase superfamily involves direct or water-mediated interactions from a glutamic acid residue, which substitutes a homologous cysteine ligand in alcohol dehydrogenases of the yeast and liver type. Glu154 of xylitol dehydrogenase from the yeast Galactocandida mastotermitis (termed GmXDH) was mutated to a cysteine residue (E154C) to revert this replacement. In spite of their variable Zn2+ content (0.10–0.40 atom/subunit), purified preparations of E154C exhibited a constant catalytic Zn2+ centre activity (kcat) of 1.19±0.03 s−1 and did not require exogenous Zn2+ for activity or stability. E154C retained 0.019±0.003% and 0.74±0.03% of wild-type catalytic efficiency (kcat/Ksorbitol=7800±700 M−1· s−1) and kcat (=161±4 s−1) for NAD+-dependent oxidation of sorbitol at 25 °C respectively. The pH profile of kcat/Ksorbitol for E154C decreased below an apparent pK of 9.1±0.3, reflecting a shift in pK by about +1.7–1.9 pH units compared with the corresponding pH profiles for GmXDH and sheep liver sorbitol dehydrogenase (termed slSDH). The difference in pK for profiles determined in 1H2O and 2H2O solvent was similar and unusually small for all three enzymes (≈+0.2 log units), suggesting that the observed pK in the binary enzyme–NAD+ complexes could be due to Zn2+-bound water. Under conditions eliminating their different pH-dependences, wild-type and mutant GmXDH displayed similar primary and solvent deuterium kinetic isotope effects of 1.7±0.2 (E154C, 1.7±0.1) and 1.9±0.3 (E154C, 2.4±0.2) on kcat/Ksorbitol respectively. Transient kinetic studies of NAD+ reduction and proton release during sorbitol oxidation by slSDH at pH 8.2 show that two protons are lost with a rate constant of 687±12 s−1 in the pre-steady state, which features a turnover of 0.9±0.1 enzyme equivalents as NADH was produced with a rate constant of 409±3 s−1. The

  5. Two-Swim Operators in the Modified Bacterial Foraging Algorithm for the Optimal Synthesis of Four-Bar Mechanisms

    Directory of Open Access Journals (Sweden)

    Betania Hernández-Ocaña

    2016-01-01

    Full Text Available This paper presents two-swim operators to be added to the chemotaxis process of the modified bacterial foraging optimization algorithm to solve three instances of the synthesis of four-bar planar mechanisms. One swim favors exploration while the second one promotes fine movements in the neighborhood of each bacterium. The combined effect of the new operators looks to increase the production of better solutions during the search. As a consequence, the ability of the algorithm to escape from local optimum solutions is enhanced. The algorithm is tested through four experiments and its results are compared against two BFOA-based algorithms and also against a differential evolution algorithm designed for mechanical design problems. The overall results indicate that the proposed algorithm outperforms other BFOA-based approaches and finds highly competitive mechanisms, with a single set of parameter values and with less evaluations in the first synthesis problem, with respect to those mechanisms obtained by the differential evolution algorithm, which needed a parameter fine-tuning process for each optimization problem.

  6. Two-Swim Operators in the Modified Bacterial Foraging Algorithm for the Optimal Synthesis of Four-Bar Mechanisms

    Science.gov (United States)

    Hernández-Ocaña, Betania; Pozos-Parra, Ma. Del Pilar; Mezura-Montes, Efrén; Portilla-Flores, Edgar Alfredo; Vega-Alvarado, Eduardo; Calva-Yáñez, Maria Bárbara

    2016-01-01

    This paper presents two-swim operators to be added to the chemotaxis process of the modified bacterial foraging optimization algorithm to solve three instances of the synthesis of four-bar planar mechanisms. One swim favors exploration while the second one promotes fine movements in the neighborhood of each bacterium. The combined effect of the new operators looks to increase the production of better solutions during the search. As a consequence, the ability of the algorithm to escape from local optimum solutions is enhanced. The algorithm is tested through four experiments and its results are compared against two BFOA-based algorithms and also against a differential evolution algorithm designed for mechanical design problems. The overall results indicate that the proposed algorithm outperforms other BFOA-based approaches and finds highly competitive mechanisms, with a single set of parameter values and with less evaluations in the first synthesis problem, with respect to those mechanisms obtained by the differential evolution algorithm, which needed a parameter fine-tuning process for each optimization problem. PMID:27057156

  7. Incentives for international environmental co-operation : the flexible mechanisms of the Kyoto Protocol

    OpenAIRE

    Mikkelsen, Eirik

    2000-01-01

    In this thesis I have taken a broad view on international environmental co-operation; What are the incentives, obstacles and ways to enhance participation and compliance with international environmental agreements. I have also looked at a more specific issue; The implementation of the “flexible mechanisms” of the Kyoto Protocol, and particularly joint implementation projects between an investor in a developed country and a host in an economy in transition or developing country.

  8. PARAMETER DETERMINATION FOR ADDITIONAL OPERATING FORCE MECHANISM IN DEVICE FOR PNEUMO-CENTRIFUGAL MACHINING OF BALL-SHAPED WORKPIECES

    Directory of Open Access Journals (Sweden)

    A. A. Sukhotsky

    2015-01-01

    Full Text Available The paper describes development of the methodology for optimization of parameters for an additional operating force mechanism in a device for pneumo-centrifugal machining of glass balls. Specific feature in manufacturing glass balls for micro-optics in accordance with technological process for obtaining ball-shaped workpieces is grinding and polishing of spherical surface in a free state. In this case component billets of future balls are made in the form of cubes and the billets are given preliminary a form of ball with the help of rough grinding. An advanced method for obtaining ball-shaped work-pieces from brittle materials is a pneumocentrifugal machining. This method presupposes an application of two conic rings with abrasive working surfaces which are set coaxially with large diameters to each other and the billets are rolled along these rings. Rotation of the billets is conveyed by means of pressure medium.The present devices for pneumo-centrifugal machining are suitable for obtaining balls up to 6 mm. Machining of the work-pieces with full spherical surfaces and large diameter is non-productive due to impossibility to ensure a sufficient force on the billet in the working zone. For this reason the paper proposes a modified device where an additional force on the machined billet is created by upper working disc that is making a reciprocating motion along an axis of abrasive conic rings. The motion is realized with the help of a cylindrical camshaft mechanism in the form of a ring with a profile working end face and the purpose of present paper is to optimize parameters of the proposed device.The paper presents expressions for calculation of constitutive parameters of the additional operating force mechanism including parameters of loading element motion, main dimensions of the additional operating force mechanism and parameters of a profile element in the additional operating force mechanism.Investigation method is a mathematical

  9. Operation and maintenance experience with control rod and their drive mechanisms of fast breeder test reactor

    International Nuclear Information System (INIS)

    This paper explains the functional and construction features of Control Rod Drive Mechanism (CRDM) and control rod used in Fast Breeder Test Reactor (FBTR) which is a 40 MWt loop type sodium cooled fast reactor. It discusses all safety related incidents and failures encountered during its service in reactor, the solutions evolved and modifications carried out to prevent recurrence. It also details the maintenance activities and periodical surveillance carried out. The results of a reliability analysis done are also discussed. (author)

  10. Effect of operating parameters on mechanical expression of solvent-soaked soybean-grits

    OpenAIRE

    Sinha, Lalan Kumar; Haldar, Swarrna; Majumdar, Gautam Chandra

    2014-01-01

    Oil from soybean is obtained mostly by solvent extraction of soybean flakes. Legislation banning the use of hexane as solvent for extracting edible vegetable oil has forced a search for an alternative solvent and for developing a suitable oil recovery process. Expellers are being used for obtaining vegetable oil by mechanical means (expression) from oil seeds having oil content higher than 20 %. It was felt, in view of the stiffness of the soybean matrix, a combination of solvent treatment an...

  11. Newton-Leibniz integration for ket-bra operators in quantum mechanics (V)-Deriving normally ordered bivariate-normal-distribution form of density operators and developing their phase space formalism

    International Nuclear Information System (INIS)

    We show that Newton-Leibniz integration over Dirac's ket-bra projection operators with continuum variables, which can be performed by the technique of integration within ordered product (IWOP) of operators [Hong-yi Fan, Hai-liang Lu, Yue Fan, Ann. Phys. 321 (2006) 480], can directly recast density operators and generalized Wigner operators into normally ordered bivariate-normal-distribution form, which has resemblance in statistics. In this way the phase space formalism of quantum mechanics can be developed. The Husimi operator, entangled Husimi operator and entangled Wigner operator for entangled particles with different masses are naturally introduced by virtue of the IWOP technique, and their physical meanings are explained

  12. CO2催化氢化催化剂及其反应机理综述%Review on Catalysts and Its Mechanisms for Catalytic Hydrogenation of Carbon Dioxide

    Institute of Scientific and Technical Information of China (English)

    张自丽; 赵毅

    2013-01-01

    研究二氧化碳资源化利用技术将对电厂CO2减排工作具有重要意义.综述了基于催化氢化思想的CO2转化催化剂及其反应机理,其主要涉及铜、镍、锌等过渡金属和钌、铱、钯等贵金属.现有催化氢化CO2转化技术研究主要集中于研究与开发高活性催化剂,分析与推测反应机理,提高产物产率及选择性,优化反应体系结构与条件等方面.高活性催化剂如双金属合金,过渡金属催化体系将是未来CO2催化氢化领域主要的研究方向之一.各催化剂催化氢化CO2反应机理较为复杂,值得深入研究.随着经济、环保、节能等新型CO2催化氢化技术的开发及研究的深入,电厂CO2减排及资源化工业应用也将成为可能.%Researches about carbon dioxide utilization technologies will have great significances for the emission reduction of carbon dioxide from power plants.Based on the theory about catalytic hydrogenation,the mechanisms of the catalysts such as transition metals,namely copper,nickel and zinc,and noble metals including ruthenium,iridium and palladium for carbon dioxide conversion were reviewed.Current researches about the catalytic hydrogenation of CO2 mainly focus on the studying and development of highly active catalysts,the analysis and conjecture of reaction mechanism,the improvement of productivity and selectivity,and the optimization of reaction system structure and condition,etc..The highly active catalysts,for example thermometal alloy,and the transition metal catalyst system will be one of the primary issues in the field of CO2 hydrogenation in the future.The reaction mechanism which is complicated with diverse catalysts in carbon dioxide conversion,is worth being researched deeply.As the development of new technics with the characteristics of economy,green and energy saving and the deep researches,it may be possible for the emission reduction and resource industry utilization of CO2 from power plants.

  13. Reducing catalytic converter pressure loss

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-06-01

    This article examines why approximately 30--40% of total exhaust-system pressure loss occurs in the catalytic converter and what can be done to reduce pressure loss. High exhaust-system backpressure is of concern in the design of power trains for passenger cars and trucks because it penalizes fuel economy and limits peak power. Pressure losses occur due to fluid shear and turning during turbulent flow in the converter headers and in entry separation and developing laminar-flow boundary layers within the substrate flow passages. Some of the loss mechanisms are coupled. For example, losses in the inlet header are influenced by the presence of the flow resistance of a downstream substrate. Conversely, the flow maldistribution and pressure loss of the substrate(s) depend on the design of the inlet header.

  14. Sectoral crediting mechanisms for greenhouse gas mitigation. Institutional and operational issues

    Energy Technology Data Exchange (ETDEWEB)

    Baron, R. [International Energy Agency IEA, Paris (France); Ellis, J. [Environment Directorate, International Energy Agency IEA, Organisation for Economic Co-operation and Development OECD, Paris (France)

    2006-05-15

    Guiding policy choices requires a systematic comparison of options. In the case of a hypothetical policy instrument, e.g. sectoral crediting, such systematic comparison is difficult as different options may not be strictly comparable. For instance, not all options may be easily applied to a given sector (e.g. an intensity-based crediting may hardly be implemented to a government policy seeking to substitute public transport for personal vehicles); the policy-based SCM may be the only practical option in this case and comparison is therefore moot. Also, not all countries may have the institutional capacity to implement all three options at the same scale. Last, the ability of each option to deliver real reductions hinges on the 'additionality' of the sector's efforts and on the stringency of the baseline. Unfortunately, there is no universally recognised method to define additionality and to determine a baseline. This paper nonetheless offers some insights on how each potential SCM option may fare with respect to the following criteria: Environmental effectiveness: can this option trigger real reductions where implemented?; Addressing competitiveness concerns; Administrative cost and feasibility: how demanding is the mechanism in terms of monitoring, review and, possibly enforcement policy?; Economic efficiency: to what extent does the mechanism lead to the adoption of the least-cost mitigation options in the sector? An initial assessment of each option along these criteria is provided in the conclusion section. This paper explores potential SCMs along several lines. Section 2 draws lessons from existing mechanisms; section 3 considers several dimensions to be considered for baselines; section 4 discusses how SCM could be implemented to provide effective incentives to mitigation; section 5 explores international governance issues. Concluding remarks are presented in section 6.

  15. Characterization of underwater sounds produced by hydraulic and mechanical dredging operations.

    Science.gov (United States)

    Reine, Kevin J; Clarke, Douglas; Dickerson, Charles

    2014-06-01

    Sound recordings were made of two dredging operations at hydrophone depths of 3 and 9.1 m at distances up to 1.2 km from the source in shallow waters (backhoe dredging operation during rock excavation. To place sound emitted from these dredges in perspective with other anthropogenic sounds, recordings were also made of several deep-draft commercial vessels. Results are presented as sound pressure levels (SPLs) in one-third octave versus range across the 20 Hz to 20 kHz frequency band. To address concerns for protection of fishery resource occupying the harbor, SPL were examined at frequency bands of 50-1000 Hz and 100-400 Hz, the ranges where the majority of fishes without hearing specializations detect sound and the range of greatest sensitivity, respectively. Source levels (dB re 1 μPa-1 m rms) were back calculated using fitted regression (15LogR). The strongest sound sources (180-188.9 dB) were emitted by commercial shipping. Rock fracturing produced a source level of 175 dB, whereas six distinct sources associated with rock excavation had source levels ranging from 164.2 to 179.4 dB re 1 μPa-1 m (rms). PMID:24907792

  16. Energy consumption and exhaust emissions in mechanized timber harvesting operations in Sweden

    International Nuclear Information System (INIS)

    The study presents an estimation of the energy input and the amount of emissions to air due to fuel, chainsaw and hydraulic oil consumption by heavy duty diesel engine vehicles operating in forest logging operations in Sweden. Exhaust concentrations are given for carbon dioxide, carbon monoxide, nitrogen oxides, hydrocarbons and particulate matter. Three fuel types (rapeseed methyl ester, environmental class 1 and environmental class 3 diesel fuels) and two types of lubricating base oil (mineral- and vegetable-based) were examined. Energy input per unit of timber production (m3ub) was 82 MJ, 11% of which was due to energy consumption during the production phase of the fuel. Emissions during the whole life cycle of the fuels and the base oils are included in the study. The highest CO2 and NOx emissions occurred when rapeseed methyl ester was used as fuel together with rapeseed as base oil for chainsaw and hydraulic oil. The highest HC and CO emissions occurred when environmental class 3 diesel fuel was used

  17. IMPLEMENTATION OF MULTIAGENT REINFORCEMENT LEARNING MECHANISM FOR OPTIMAL ISLANDING OPERATION OF DISTRIBUTION NETWORK

    DEFF Research Database (Denmark)

    Saleem, Arshad; Lind, Morten

    The Electric Power system of Denmark exhibits some unique characteristics. An increasing part of the electricity is produced by local generators called distributed generators DGs. Most of these DGs are connected to network through the distribution system. This situation has created an incentive...... among electric power utilities to utilize modern information and communication technologies (ICT) in order to improve the automation of the distribution system. In this paper we present our work for the implementation of a dynamic multi-agent based distributed reinforcement learning mechanism for the...

  18. Catalytic thermal barrier coatings

    Science.gov (United States)

    Kulkarni, Anand A.; Campbell, Christian X.; Subramanian, Ramesh

    2009-06-02

    A catalyst element (30) for high temperature applications such as a gas turbine engine. The catalyst element includes a metal substrate such as a tube (32) having a layer of ceramic thermal barrier coating material (34) disposed on the substrate for thermally insulating the metal substrate from a high temperature fuel/air mixture. The ceramic thermal barrier coating material is formed of a crystal structure populated with base elements but with selected sites of the crystal structure being populated by substitute ions selected to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a higher rate than would the base compound without the ionic substitutions. Precious metal crystallites may be disposed within the crystal structure to allow the ceramic thermal barrier coating material to catalytically react the fuel-air mixture at a lower light-off temperature than would the ceramic thermal barrier coating material without the precious metal crystallites.

  19. Control rod driving mechanism, and control device and operation method therefor

    International Nuclear Information System (INIS)

    The upper portion of a housing of control rod driving mechanisms is secured to a reactor pressure vessel, and the lower portion thereof is sealed by a closing plug. Gears are formed on the outer circumference of a driving shaft vertically moving with the linkage of a control rod in a pressure vessel, and a linear reluctance motor comprising a stator iron core having gears on the inner circumference of a stator and a stator coil for driving the driving shaft. There are disposed a latch mechanism for holding the control rod by engaging with the gears of the driving shaft and a position detector for detecting the position of the inserted control rod by the gears of the driving shaft or magnets mounted to the gears. Since the inner structure can be simplified with no shaft-sealing portion, the frequency for the maintenance and inspection can be reduced to improve the reliability of sealing portions of the pressure vessel. The space for maintenance and inspection of the lower portion of the pressure vessel can be reduced thereby making the height of a reactor building low and strengthen the earthquake proof structure. (N.H.)

  20. Polymer lattices as mechanically tunable 3-dimensional photonic crystals operating in the infrared

    International Nuclear Information System (INIS)

    Broadly tunable photonic crystals in the near- to mid-infrared region could find use in spectroscopy, non-invasive medical diagnosis, chemical and biological sensing, and military applications, but so far have not been widely realized. We report the fabrication and characterization of three-dimensional tunable photonic crystals composed of polymer nanolattices with an octahedron unit-cell geometry. These photonic crystals exhibit a strong peak in reflection in the mid-infrared that shifts substantially and reversibly with application of compressive uniaxial strain. A strain of ∼40% results in a 2.2 μm wavelength shift in the pseudo-stop band, from 7.3 μm for the as-fabricated nanolattice to 5.1 μm when strained. We found a linear relationship between the overall compressive strain in the photonic crystal and the resulting stopband shift, with a ∼50 nm blueshift in the reflection peak position per percent increase in strain. These results suggest that architected nanolattices can serve as efficient three-dimensional mechanically tunable photonic crystals, providing a foundation for new opto-mechanical components and devices across infrared and possibly visible frequencies

  1. Monitoring Local Strain in a Thermal Barrier Coating System Under Thermal Mechanical Gas Turbine Operating Conditions

    Science.gov (United States)

    Manero, Albert; Sofronsky, Stephen; Knipe, Kevin; Meid, Carla; Wischek, Janine; Okasinski, John; Almer, Jonathan; Karlsson, Anette M.; Raghavan, Seetha; Bartsch, Marion

    2015-07-01

    Advances in aircraft and land-based turbine engines have been increasing the extreme loading conditions on traditional engine components and have incited the need for improved performance with the use of protective coatings. These protective coatings shield the load-bearing super alloy blades from the high-temperature combustion gases by creating a thermal gradient over their thickness. This addition extends the life and performance of blades. A more complete understanding of the behavior, failure mechanics, and life expectancy for turbine blades and their coatings is needed to enhance and validate simulation models. As new thermal-barrier-coated materials and deposition methods are developed, strides to effectively test, evaluate, and prepare the technology for industry deployment are of paramount interest. Coupling the experience and expertise of researchers at the University of Central Florida, The German Aerospace Center, and Cleveland State University with the world-class synchrotron x-ray beam at the Advanced Photon Source in Argonne National Laboratory, the synergistic collaboration has yielded previously unseen measurements to look inside the coating layer system for in situ strain measurements during representative service loading. These findings quantify the in situ strain response on multilayer thermal barrier coatings and shed light on the elastic and nonelastic properties of the layers and the role of mechanical load and internal cooling variations on the response. The article discusses the experimental configuration and development of equipment to perform in situ strain measurements on multilayer thin coatings and provides an overview of the achievements thus far.

  2. Polymer lattices as mechanically tunable 3-dimensional photonic crystals operating in the infrared

    Energy Technology Data Exchange (ETDEWEB)

    Chernow, V. F., E-mail: vchernow@caltech.edu [Division of Engineering and Applied Sciences, California Institute of Technology, Pasadena, California 91125 (United States); Alaeian, H. [Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States); Department of Materials Science and Engineering, Stanford University, Stanford, California 94305 (United States); Dionne, J. A. [Department of Materials Science and Engineering, Stanford University, Stanford, California 94305 (United States); Greer, J. R. [Division of Engineering and Applied Sciences, California Institute of Technology, Pasadena, California 91125 (United States); The Kavli Nanoscience Institute, California Institute of Technology, Pasadena, California 91125 (United States)

    2015-09-07

    Broadly tunable photonic crystals in the near- to mid-infrared region could find use in spectroscopy, non-invasive medical diagnosis, chemical and biological sensing, and military applications, but so far have not been widely realized. We report the fabrication and characterization of three-dimensional tunable photonic crystals composed of polymer nanolattices with an octahedron unit-cell geometry. These photonic crystals exhibit a strong peak in reflection in the mid-infrared that shifts substantially and reversibly with application of compressive uniaxial strain. A strain of ∼40% results in a 2.2 μm wavelength shift in the pseudo-stop band, from 7.3 μm for the as-fabricated nanolattice to 5.1 μm when strained. We found a linear relationship between the overall compressive strain in the photonic crystal and the resulting stopband shift, with a ∼50 nm blueshift in the reflection peak position per percent increase in strain. These results suggest that architected nanolattices can serve as efficient three-dimensional mechanically tunable photonic crystals, providing a foundation for new opto-mechanical components and devices across infrared and possibly visible frequencies.

  3. The design, fabrication and operation of the mechanical systems for the Neutral Beam Engineering Test Facility

    International Nuclear Information System (INIS)

    The Neutral Beam Engineering Test Facility (NBETF) at the Lawrence Berkeley Laboratory (LBL) is a National Test Facility used to develop long pulse Neutral Beam Sources. The Facility will test sources up to 120 keV, 50 A, with 30 s beam-on times with a 10% duty factor. For this application, an actively cooled beam dump is required and one has been constructed capable of dissipating a wide range of power density profiles. The flexibility of the design is achieved by utilizing a standard modular panel design which is incorporated into a moveable support structure comprised of eight separately controllable manipulator assemblies. The thermal hydraulic design of the panels permits the dissipation of 2 kW/cm2 anywhere on the panel surface. The cooling water requirements of the actively cooled dump system are provided by the closed loop Primary High Pressure Cooling Water System. To minimize the operating costs of continuously running this high power system, a variable speed hydraulic drive is used for the main pump. During beam pulses, the pump rotates at high speed, then cycles to low speed upon completion of the beam shot. A unique neutralizer design has been installed into the NBETF beamline. This is a gun-drilled moveable brazed assembly which provides continuous armoring of the beamline near the source. The unit penetrates the source mounting valve during operation and retracts to permit the valve to close as needed. The beamline also has an inertially cooled duct calorimeter assembly. This assembly is a moveable hinged matrix of copper plates that can be used as a beam stop up to pulse lengths of 50 ms. The beamline is also equipped with many beam scraper plates of differing detail design and dissipation capabilities

  4. Degradation of mechanical properties of CrMo creep resistant steel operating under conditions of creep

    Directory of Open Access Journals (Sweden)

    J. Michel

    2012-01-01

    Full Text Available Mechanical properties of a steam tube made of CrMo creep resistant steel are analysed in this contribution after up to 2,6•105 hours service life in creep conditions at temperature 530 °C and calculated stress level in the tube wall 46,5 MPa. During service life there were in the steel gradual micro structure changes, fi rst pearlite spheroidization, precipitation, coaugulation and precipitate coarsening. Nevertheless the strength and deformation properties of the steel (Re, Rm, A5, Z, and the resistance to brittle fracture and the creep strength limit, were near to unchanged after 2,1•105 hours in service. The steam tube is now in service more than 2,6•105 h.

  5. Novel sensing approach for LPG leakage detection: Part I: Operating Mechanism and Preliminary Results

    KAUST Repository

    Mukhopadhyay, Subhas

    2015-10-30

    Gas sensing technology has been among the topical research work for quite some time. This paper showcases the research done on the detection mechanism of leakage of domestic cooking gas at ambient conditions. MEMS-based interdigital sensors were fabricated on oxidized single crystal silicon surfaces by maskless photolithography technique. The electrochemical impedance analysis of these sensors was done to detect liquefied petroleum gas (LPG) with and without coated particles of tin oxide (SnO2) in form of thin layer.A thin-film of SnO2 was spin-coated on the sensing surface of the interdigital sensor to induce selectivity to LPG that consists of a 60/40 mixture of propane and butane respectively. The paper reports a novel strategy for gas detection under ambient temperature and humidity conditions. The response time of the coated sensor was encouraging and own a promising potential to the development of a complete efficient gas sensing system.

  6. Operation mechanism of a molecular machine revealed using time-resolved vibrational spectroscopy.

    Science.gov (United States)

    Panman, Matthijs R; Bodis, Pavol; Shaw, Daniel J; Bakker, Bert H; Newton, Arthur C; Kay, Euan R; Brouwer, Albert M; Buma, Wybren Jan; Leigh, David A; Woutersen, Sander

    2010-06-01

    Rotaxanes comprise macrocycles that can shuttle between docking stations along an axle. We explored the nanosecond shuttling mechanism by reversing the relative binding affinities of two stations through ultraviolet-induced transient reduction. We monitored the ensuing changes in the CO-stretching bands of the two stations and the shuttling macrocycle by means of an infrared probing pulse. Because hydrogen-bond scission and formation at the initial and final stations led to well-resolved changes in the respective CO-stretch frequencies, the departure and arrival of the macrocycle could be observed separately. We found that the shuttling involves two steps: thermally driven escape from the initial station, followed by rapid motion along the track ending either at the initial or final station. By varying the track's length, we found that the rapid motion approximates a biased one-dimensional random walk. However, surprisingly, the direction of the overall motion is opposite that of the bias. PMID:20522770

  7. Effect of operating parameters on mechanical expression of solvent-soaked soybean-grits.

    Science.gov (United States)

    Sinha, Lalan Kumar; Haldar, Swarrna; Majumdar, Gautam Chandra

    2015-05-01

    Oil from soybean is obtained mostly by solvent extraction of soybean flakes. Legislation banning the use of hexane as solvent for extracting edible vegetable oil has forced a search for an alternative solvent and for developing a suitable oil recovery process. Expellers are being used for obtaining vegetable oil by mechanical means (expression) from oil seeds having oil content higher than 20 %. It was felt, in view of the stiffness of the soybean matrix, a combination of solvent treatment and expression could be a cheaper alternative; thus an attempt has been made here to develop a two stage process constituting soaking of soybean grits in solvent followed by mechanical compression (hydraulic press) of solvent-soaked grits to recover oil. The present work aimed at studying the effect of various process parameters on oil yield from solvent soaked soybean-grits during soaking as well as pressing stages using the solvents: hexane, ethanol (alternative solvent). The process parameters were identified through holistic approach. The dependant variable was oil recovery (expressed as fraction of initial oil content of soybean) whereas the independent parameters were particle size, solvent-bean mass ratio, soaking time, soaking temperature, applied pressure and pressing time. The effect of each of the above parameters on fractional oil recovery (FOR) was studied. The results of the present study indicate that the above parameters have a significant effect on the fractional oil recovery with particle size, soaking temperature, soaking time and pressing time being the most significant factors. The present study also indicates that ethanol can be used as an alternate solvent to hexane by optimizing the factors as discussed in this paper. PMID:25892794

  8. World Health Organization's Innovative Direct Disbursement Mechanism for Payment of Grassroots Immunization Personnel and Operations in Nigeria: 2004–2015

    Science.gov (United States)

    Yehualashet, Yared G.; Wadda, Alieu; Agblewonu, Koffi B.; Zhema, Theophilus; Ibrahim, Al-asi A.; Corr, Alhagie; Linkins, Jennifer; Mkanda, Pascal; Vaz, Rui G.; Nsubuga, Peter; Ashogbon, Daniel

    2016-01-01

    Background. Following the 1988 World Health Assembly resolution to eradicate polio, the government of Nigeria, with support from partners, has been implementing several rounds of supplementary immunization activities (SIAs) each year. In addition to the technical requirements, the success of the polio eradication initiative depends on timely provision of adequate financial resources. Disbursement of funds for SIAs and payment of allowances to numerous vaccination personnel at the grassroots level are enormous operational challenges in a country the size of Nigeria. Upon donors' request for a transparent and effective payment mechanism, the World Health Organization (WHO), in consultation with national counterparts, created the innovative direct disbursement mechanism (DDM) in 2004. The objective of the DDM was to timely deploy operational funds at the field level and directly pay vaccination personnel allowances at the grassroots level. Methods. A detailed operational guideline for funds disbursement was developed in close consultation with central and field stakeholders. Multiyear financial resource requirements and operational budgets for every campaign were produced by an interagency-coordinated finance subcommittee. The WHO engaged a bank and an accounting firm as DDM partners to support disbursement of and accounting for the SIA funds, respectively. The 37 WHO field offices were equipped with electronic financial systems to support the DDM process, and temporary payment sites were set up to facilitate payment to vaccination personnel at the grassroots level. Coordination meetings among DDM partners were held regularly to reconcile financial records and address operational challenges. Results. Between 2004 and 2014, DDM supported 99 polio and nonpolio vaccination campaigns, disbursing more than $370 million to about 16 million beneficiaries across 280 temporary payment sites. To mitigate security risks and reduce operational costs, the WHO and DDM

  9. Catalytic mechanisms of direct pyrrole synthesis via dehydrogenative coupling mediated by PNP-Ir or PNN-Ru pincer complexes: Crucial role of proton-transfer shuttles in the PNP-Ir system

    KAUST Repository

    Qu, Shuanglin

    2014-04-02

    Kempe et al. and Milstein et al. have recently advanced the dehydrogenative coupling methodology to synthesize pyrroles from secondary alcohols (e.g., 3) and β-amino alcohols (e.g., 4), using PNP-Ir (1) and PNN-Ru (2) pincer complexes, respectively. We herein present a DFT study to characterize the catalytic mechanism of these reactions. After precatalyst activation to give active 1A/2A, the transformation proceeds via four stages: 1A/2A-catalyzed alcohol (3) dehydrogenation to give ketone (11), base-facilitated C-N coupling of 11 and 4 to form an imine-alcohol intermediate (18), base-promoted cyclization of 18, and catalyst regeneration via H2 release from 1R/2R. For alcohol dehydrogenations, the bifunctional double hydrogen-transfer pathway is more favorable than that via β-hydride elimination. Generally, proton-transfer (H-transfer) shuttles facilitate various H-transfer processes in both systems. Notwithstanding, H-transfer shuttles play a much more crucial role in the PNP-Ir system than in the PNN-Ru system. Without H-transfer shuttles, the key barriers up to 45.9 kcal/mol in PNP-Ir system are too high to be accessible, while the corresponding barriers (<32.0 kcal/mol) in PNN-Ru system are not unreachable. Another significant difference between the two systems is that the addition of alcohol to 1A giving an alkoxo complex is endergonic by 8.1 kcal/mol, whereas the addition to 2A is exergonic by 8.9 kcal/mol. The thermodynamic difference could be the main reason for PNP-Ir system requiring lower catalyst loading than the PNN-Ru system. We discuss how the differences are resulted in terms of electronic and geometric structures of the catalysts and how to use the features in catalyst development. © 2014 American Chemical Society.

  10. Final Report of a CRADA Between Pacific Northwest National Laboratory and the General Motors Company (CRADA No. PNNL/271): “Degradation Mechanisms of Urea Selective Catalytic Reduction Technology”

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Do Heui; Lee, Jong H.; Peden, Charles HF; Howden, Ken; Kim, Chang H.; Oh, Se H.; Schmieg, Steven J.; Wiebenga, Michelle H.

    2011-12-13

    Diesel engines can offer substantially higher fuel efficiency, good driving performance characteristics, and reduced carbon dioxide (CO2) emission compared to stoichiometric gasoline engines. Despite the increasing public demand for higher fuel economy and reduced dependency on imported oil, however, meeting the stringent emission standards with affordable methods has been a major challenge for the wide application of these fuel-efficient engines in the US market. The selective catalytic reduction of NOx by urea (urea-SCR) is one of the most promising technologies for NOx emission control for diesel engine exhausts. To ensure successful NOx emission control in the urea-SCR technology, both a diesel oxidation catalyst (DOC) and a urea-SCR catalyst with high activity and durability are critical for the emission control system. Because the use of this technology for light-duty diesel vehicle applications is new, the relative lack of experience makes it especially challenging to satisfy the durability requirements. Of particular concern is being able to realistically simulate actual field aging of the catalyst systems under laboratory conditions, which is necessary both as a rapid assessment tool for verifying improved performance and certifiability of new catalyst formulations. In addition, it is imperative to develop a good understanding of deactivation mechanisms to help develop improved catalyst materials. In this CRADA program, General Motors Company and PNNL have investigated fresh, laboratory- and vehicle-aged DOC and SCR catalysts. The studies have led to a better understanding of various aging factors that impact the long-term performance of catalysts used in the urea-SCR technology, and have improved the correlation between laboratory and vehicle aging for reduced development time and cost. This Final Report briefly highlights many of the technical accomplishments and documents the productivity of the program in terms of peer-reviewed scientific publications

  11. The Catalytic Mechanisms of Binuclear Metallohydrolases

    OpenAIRE

    Mitic, Natasa; Smith, Sarah J.; Neves, Ademir; Guddat, Luke W.; Gahan, Lawrence R; Schenk, Gerhard

    2006-01-01

    Binuclear metallohydrolases are a structurally diverse group of enzymes that use binuclear metal ion centers to catalyze the hydrolysis of amides and esters of carboxylic and phosphoric acids. Representatives are listed in Table 1, together with their metal ion composition and, if known, their metabolic role(s). Several of these enzymes are either targets for drug design against a wide variety of human disorders, including osteoporosis, cancer, cystic fibrosis, and depres...

  12. Generic evaluation of operating experience with regard to the ageing behaviour of passive mechanical components in nuclear power plants

    International Nuclear Information System (INIS)

    Since the mid-90s, GRS has been dealing systematically with the assessment of the influences of ageing on the safety of nuclear power plants. This also involves the generic evaluation of operating experience. In the following, the procedure, methodological approaches and relevant results are presented in an exemplary manner for passive mechanical components. The results show that the number of events influenced by ageing phenomena that have so far occurred in German plants is low and that measures were taken where necessary to detect, monitor and control any changes due to ageing. As new insights may emerge over time concerning the assessment of the ageing behaviour of the components, it is considered necessary to continue with the ongoing generic evaluation of operating experience in order to obtain timely indications of any safety-relevant changes. (orig.)

  13. Passive hybrid force-position control for tele-operation based on real-time simulation of a virtual mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Joly, L.; Andriot, C.

    1995-12-31

    Hybrid force-position control aims at controlling position and force in separate directions. It is particularly useful to perform certain robotic tasks. In tele-operation context, passivity is important because it ensures stability when the system interacts with any passive environment. In this paper, we propose an original approach to hybrid force-position control of a force reflecting tele-robot system. It is based on real-time simulation of a virtual mechanism corresponding to the task. the resulting control law is passive. Experiments on a 6 degrees of freedom tele-operation system consisting in following a bent pipe under several control modes validate the approach. (authors). 12 refs., 6 figs.

  14. RELATIONAL APPROACHES REGARDING THE RECEPTION, STAGING, ONWARD MOVEMENT & INTEGRATION PROCESS WITHIN THE FORCE PROTECTION MECHANISMS IN THEATRES OF JOINT OPERATIONS

    Directory of Open Access Journals (Sweden)

    Gheorghe MINCULETE

    2015-04-01

    Full Text Available Presently, the strategic security environment is characterized by uncertainty, complexity, rapid changes and persistent conflict. This environment is fluid, with continually changing alliances and partnerships, new national and transnational threats constantly appearing and disappearing. The global process of crisis and conflict management became more difficult to be handled because of the existing economic and military instability, the persistence of the economic crisis, and the development of extremism, revisionist, secessionist or separatist manifestations. The current article approaches the problem of Reception, Staging, Onward Movement & Integration Process as part of the complex force protection mechanism which takes place in theatres of joint operations. In this respect, we will briefly present the international security environment which influences the projection of NATO, United States and European Union’s military forces, in accordance with strategic and operational requirements.

  15. Passive hybrid force-position control for tele-operation based on real-time simulation of a virtual mechanism

    International Nuclear Information System (INIS)

    Hybrid force-position control aims at controlling position and force in separate directions. It is particularly useful to perform certain robotic tasks. In tele-operation context, passivity is important because it ensures stability when the system interacts with any passive environment. In this paper, we propose an original approach to hybrid force-position control of a force reflecting tele-robot system. It is based on real-time simulation of a virtual mechanism corresponding to the task. the resulting control law is passive. Experiments on a 6 degrees of freedom tele-operation system consisting in following a bent pipe under several control modes validate the approach. (authors). 12 refs., 6 figs

  16. A Mechanism Supporting the Client/Server Relationship in the Operating System of Distributed System “THUDS”

    Institute of Scientific and Technical Information of China (English)

    廖先Zhi; 金兰

    1991-01-01

    This paper presents a distributed operating system modeled as an abstract machine that provides all the distributed processes with the same set of services.The kernel of our operating system supports services which are achieved by a remote procedure call on requests by parallel processes.Therefore,a scheme for solving the client-server relationship is required.In our system there are more than one clients and,at least,a receive would be required for each.Similarly,there are more than one servers such that the send in a client should produce a message that can be received by every server.Consequently,a mechanism well suited for programming multiple-clients/single-server and single-client/multiple-servers interactions is proposed.

  17. Catalytic Hydrothermal Gasification

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, Douglas C.

    2015-05-31

    The term “hydrothermal” used here refers to the processing of biomass in water slurries at elevated temperature and pressure to facilitate the chemical conversion of the organic structures in biomass into useful fuels. The process is meant to provide a means for treating wet biomass materials without drying and to access ionic reaction conditions by maintaining a liquid water processing medium. Typical hydrothermal processing conditions are 523-647K of temperature and operating pressures from 4-22 MPa of pressure. The temperature is sufficient to initiate pyrolytic mechanisms in the biopolymers while the pressure is sufficient to maintain a liquid water processing phase. Hydrothermal gasification is accomplished at the upper end of the process temperature range. It can be considered an extension of the hydrothermal liquefaction mechanisms that begin at the lowest hydrothermal conditions with subsequent decomposition of biopolymer fragments formed in liquefaction to smaller molecules and eventually to gas. Typically, hydrothermal gasification requires an active catalyst to accomplish reasonable rates of gas formation from biomass.

  18. Thermo-mechanical analysis of SEU 43 fuel element in CANDU reactor normal operational conditions

    International Nuclear Information System (INIS)

    The main direction of developing the CANDU type fuel is designing a new type of fuel cluster with the number of elements increased from 37 to 43. This work presents results of the research done in INR Pitesti on the new concept of SEU 43 fuel cluster designed for burnups as high as 25 Mw·day/kgU using slightly enriched uranium (up to 1.1% U235). By using ROFEM 1.0 code the behaviour of two types of SEU 43 fuel was analyzed in normal conditions of CANDU 6 reactor operation. The main performance parameters of SEU fuel were analyzed. These are: temperature distribution; the volume and pressure of fission gases; stresses in the fuel can; can deformations. Comparisons with the standard CANDU fuel are done. The results show the adequacy of the design solutions implemented for the SEU 43 fuel. The power-burnup history required by the ROFEM computations was obtained from the overpower envelope of the fuel cluster, with the radial power distribution on cluster taken into account. Evolution of the main performance parameters during irradiation is given

  19. Design, fabrication and operation of the mechanical systems for the Neutral Beam Engineering Test Facility

    International Nuclear Information System (INIS)

    The Neutral Beam Engineering Test Facility (NBETF) at Lawrence Berkeley Laboratory (LBL) is a National Test Facility used to develop long pulse Neutral Beam Sources. The Facility will test sources up to 120 keV, 50 A, with 30 s beam-on times with a 10% duty factor. For this application, an actively cooled beam dump is required and one has been constructed capable of dissipating a wide range of power density profiles. The flexibility of the design is achieved by utilizing a standard modular panel design which is incorporated into a moveable support structure comprised of eight separately controllable manipulator assemblies. A unique neutralizer design has been installed into the NBETF beamline. This is a gun-drilled moveable brazed assembly which provides continuous armoring of the beamline near the source. The unit penetrates the source mounting valve during operation and retracts to permit the valve to close as needed. The beamline is also equpped with many beam scraper plates of differing detail design and dissipation capabilities

  20. Wavelet analysis of corneal endothelial electrical potential difference reveals cyclic operation of the secretory mechanism

    CERN Document Server

    Cacace, Veronica Ines; Kusnier, Carlos; Gomez, Martin Pedro; Fischbarg, Jorge

    2011-01-01

    There is evidence that the electrical potential difference of corneal endothelium (TEPD) is related electro-osmotically to fluid transport. Hence, determination of the TEPD would serve as a measure of the fluid movement. The oscillatory nature of the TEPD has been recognized recently using the Fourier transform; the oscillations of the highest amplitude were linked to the operation of electrogenic sodium-bicarbonate cotransporters. However, no time localization of that activity could be obtained with the Fourier methodology utilized. For that reason we now characterize the TEPD using wavelet analysis for the first time in the epithelial physiology field, with the aim to localize in time the variations in TEPD. We find that the high-amplitude oscillations of the TEPD are cyclic, with a period of 4.6 \\pm 0.4 s in the average (n=4). The wavelet power value at the peak of such oscillations is 1.5 \\pm 0.1 mV2 Hz in the average (n=4), and is remarkably narrow in its distribution.

  1. Tower Shielding Reactor II design and operation report. Vol. 3. Assembling and testing of the control mechanism assembly

    International Nuclear Information System (INIS)

    The mechanisms that are operated to control the reactivity of the Tower Shielding Reactor II(TSR-II) are mounted on a Control Mechanism Housing (CMH) that is centered inside the reactor core. The information required to procure, fabricate, inspect, and assemble a CMH is contained in the ORNL engineering drawings listed in the appropriate sections. The components are fabricated and inspected from these drawings in accordance with a Quality Assurance Plan and a Manufacturing Plan. The material in this report describes the acceptance and performance tests of CMH subassemblies used ty the Tower Shielding Facility (TSF) staff but it can also be used by personnel fabricating the components. This information which was developed and used before the advent of the formalized QA Program and Manufacturing Plans evolved during the fabrication and testing of the first five CMHs

  2. Application of Soft Squirrel-Cage Induction Motor Starting, Braking and Retarded Speed Operation for Crane Travel Mechanisms

    Directory of Open Access Journals (Sweden)

    B. I. Firago

    2010-01-01

    Full Text Available The paper considers an improvement of crane equipment operation, particularly, its travel mechanisms  at the expense of updating currently widely applied electric drives with squirrel-cage induction motors. The authors propose to use a pulse voltage regulator based on IGBT transistors with additional function of quasi-frequency control ability as a soft starter which has higher technical-economic indices in comparison with existing thyristor starters and prove its application by the results of their investigations. Application of such device in  electric drives of crane travel mechanisms where there is no need to carry out a technological speed regulation, allows to make soft starting, soft braking and accurate stoppage of an electric drive at the cost of  squirrel-cage induction motor transition to retarded speed prior to stoppage which is ensured by quasi-frequency motor control.

  3. Catalytic hydrogen recombination for nuclear containments

    International Nuclear Information System (INIS)

    Catalytic recombiners appear to be a credible option for hydrogen mitigation in nuclear containments. The passive operation, versatility and ease of back fitting are appealing for existing stations and new designs. Recently, a generation of wet-proofed catalyst materials have been developed at AECL which are highly specific to H2-O2, are active at ambient temperatures and are being evaluated for containment applications. Two types of catalytic recombiners were evaluated for hydrogen removal in containments based on the AECL catalyst. The first is a catalytic combustor for application in existing air streams such as provided by fans or ventilation systems. The second is an autocatalytic recombiner which uses the enthalpy of reaction to produce natural convective flow over the catalyst elements. Intermediate-scale results obtained in 6 m3 and 10 m3 spherical and cylindrical vessels are given to demonstrate self-starting limits, operating limits, removal capacity, scaling parameters, flow resistance, mixing behaviour in the vicinity of an operating recombiner and sensitivity to poisoning, fouling and radiation. (author). 13 refs., 10 figs

  4. IFP solutions for revamping catalytic reforming units

    Energy Technology Data Exchange (ETDEWEB)

    Gendler, J.L. [HRI, Inc., Princeton, NJ (United States); Domergue, B.; Mank, L. [Inst. Francais du Petrole, Rueil Malmaison (France)

    1996-12-01

    The decision-making process for the refiner considering a revamp of a catalytic reforming unit comprises many factors. These may be grouped in two broad areas: technical and economic. This paper presents the results of a study performed by IFP that illustrates catalytic reforming unit revamp options. Three IFP processes are described and operating conditions, expected yields, and economic data are presented. The following options are discussed: base case Conventional, fixed-bed, semi-regenerative catalytic reformer; Case 1--revamp using IFP Dualforming technology; Case 2--revamp using IFP Dualforming Plus technology; and Case 3--revamp to IFP Octanizing technology. The study illustrates various options for the refiner to balance unit performance improvements with equipment, site, and economic constraints. The study was performed assuming design feedrate of 98.2 tons/hour (20,000 BPSD) in all cases. Because of the increased need for octane in many refineries, the study assumed that operating severity was set at a design value of 100 research octane number clear (RON). In all of the cases in this study, it was assumed that the existing recycle compressor was reused. Operating pressure differences between the cases is discussed separately. Also, in all cases, a booster compressor was included in order to return export hydrogen pressure to that of the conventional unit.

  5. Theoretical comparison, equivalent transformation, and conjunction operations of electromagnetic induction generator and triboelectric nanogenerator for harvesting mechanical energy.

    Science.gov (United States)

    Zhang, Chi; Tang, Wei; Han, Changbao; Fan, Fengru; Wang, Zhong Lin

    2014-06-11

    Triboelectric nanogenerator (TENG) is a newly invented technology that is effective using conventional organic materials with functionalized surfaces for converting mechanical energy into electricity, which is light weight, cost-effective and easy scalable. Here, we present the first systematic analysis and comparison of EMIG and TENG from their working mechanisms, governing equations and output characteristics, aiming at establishing complementary applications of the two technologies for harvesting various mechanical energies. The equivalent transformation and conjunction operations of the two power sources for the external circuit are also explored, which provide appropriate evidences that the TENG can be considered as a current source with a large internal resistance, while the EMIG is equivalent to a voltage source with a small internal resistance. The theoretical comparison and experimental validations presented in this paper establish the basis of using the TENG as a new energy technology that could be parallel or possibly equivalently important as the EMIG for general power application at large-scale. It opens a field of organic nanogenerator for chemists and materials scientists who can be first time using conventional organic materials for converting mechanical energy into electricity at a high efficiency. PMID:24677413

  6. Catalytic Ozonation of Phenolic Wastewater: Identification and Toxicity of Intermediates

    OpenAIRE

    Mahdi Farzadkia; Yousef Dadban Shahamat; Simin Nasseri; Amir Hossein Mahvi; Mitra Gholami; Ali Shahryari

    2014-01-01

    A new strategy in catalytic ozonation removal method for degradation and detoxification of phenol from industrial wastewater was investigated. Magnetic carbon nanocomposite, as a novel catalyst, was synthesized and then used in the catalytic ozonation process (COP) and the effects of operational conditions such as initial pH, reaction time, and initial concentration of phenol on the degradation efficiency and the toxicity assay have been investigated. The results showed that the highest catal...

  7. Catalytic Processes for Clean Hydrogen Production from Hydrocarbons

    OpenAIRE

    ÖNSAN, Zeynep İlsen

    2007-01-01

    Conversion of hydrocarbon fuels to hydrogen with a high degree of purity acceptable for fuel cell operation presents interesting challenges for the design of new selective catalysts and catalytic processes. Natural gas, LPG, gasoline, and diesel are regarded as promising hydrocarbon fuels. Methanol has received attention despite its toxicity, and ethanol has recently become of interest as a much less toxic and renewable resource. Selective catalytic processes considered for commerci...

  8. Optimization of Operating Parameters for Minimum Mechanical Specific Energy in Drilling

    Energy Technology Data Exchange (ETDEWEB)

    Hamrick, Todd [West Virginia Univ., Morgantown, WV (United States)

    2011-01-01

    Efficiency in drilling is measured by Mechanical Specific Energy (MSE). MSE is the measure of the amount of energy input required to remove a unit volume of rock, expressed in units of energy input divided by volume removed. It can be expressed mathematically in terms of controllable parameters; Weight on Bit, Torque, Rate of Penetration, and RPM. It is well documented that minimizing MSE by optimizing controllable factors results in maximum Rate of Penetration. Current methods for computing MSE make it possible to minimize MSE in the field only through a trial-and-error process. This work makes it possible to compute the optimum drilling parameters that result in minimum MSE. The parameters that have been traditionally used to compute MSE are interdependent. Mathematical relationships between the parameters were established, and the conventional MSE equation was rewritten in terms of a single parameter, Weight on Bit, establishing a form that can be minimized mathematically. Once the optimum Weight on Bit was determined, the interdependent relationship that Weight on Bit has with Torque and Penetration per Revolution was used to determine optimum values for those parameters for a given drilling situation. The improved method was validated through laboratory experimentation and analysis of published data. Two rock types were subjected to four treatments each, and drilled in a controlled laboratory environment. The method was applied in each case, and the optimum parameters for minimum MSE were computed. The method demonstrated an accurate means to determine optimum drilling parameters of Weight on Bit, Torque, and Penetration per Revolution. A unique application of micro-cracking is also presented, which demonstrates that rock failure ahead of the bit is related to axial force more than to rotation speed.

  9. Catalytic converter with thermoelectric generator

    Energy Technology Data Exchange (ETDEWEB)

    Parise, R.J.

    1998-07-01

    The unique design of an electrically heated catalyst (EHC) and the inclusion of an ECO valve in the exhaust of an internal combustion engine will meet the strict new emission requirements, especially at vehicle cold start, adopted by several states in this country as well as in Europe and Japan. The catalytic converter (CC) has been a most useful tool in pollution abatement for the automobile. But the emission requirements are becoming more stringent and, along with other improvements, the CC must be improved to meet these new standards. Coupled with the ECO valve, the EHC can meet these new emission limits. In an internal combustion engine vehicle (ICEV), approximately 80% of the energy consumed leaves the vehicle as waste heat: out the tail pipe, through the radiator, or convected/radiated off the engine. Included with the waste heat out the tail pipe are the products of combustion which must meet strict emission requirements. The design of a new CC is presented here. This is an automobile CC that has the capability of producing electrical power and reducing the quantity of emissions at vehicle cold start, the Thermoelectric Catalytic Power Generator. The CC utilizes the energy of the exothermic reactions that take place in the catalysis substrate to produce electrical energy with a thermoelectric generator. On vehicle cold start, the thermoelectric generator is used as a heat pump to heat the catalyst substrate to reduce the time to catalyst light-off. Thus an electrically heated catalyst (EHC) will be used to augment the abatement of tail pipe emissions. Included with the EHC in the exhaust stream of the automobile is the ECO valve. This valve restricts the flow of pollutants out the tail pipe of the vehicle for a specified amount of time until the EHC comes up to operating temperature. Then the ECO valve opens and allows the full exhaust, now treated by the EHC, to leave the vehicle.

  10. Modeling the Complete Catalytic Cycle of Aspartoacylase.

    Science.gov (United States)

    Kots, Ekaterina D; Khrenova, Maria G; Lushchekina, Sofya V; Varfolomeev, Sergei D; Grigorenko, Bella L; Nemukhin, Alexander V

    2016-05-12

    The complete catalytic cycle of aspartoacylase (ASPA), a zinc-dependent enzyme responsible for cleavage of N-acetyl-l-aspartate, is characterized by the methods of molecular modeling. The reaction energy profile connecting the enzyme-substrate (ES) and the enzyme-product (EP) complexes is constructed by the quantum mechanics/molecular mechanics (QM/MM) method assisted by the molecular dynamics (MD) simulations with the QM/MM potentials. Starting from the crystal structure of ASPA complexed with the intermediate analogue, the minimum-energy geometry configurations and the corresponding transition states are located. The stages of substrate binding to the enzyme active site and release of the products are modeled by MD calculations with the replica-exchange umbrella sampling technique. It is shown that the first reaction steps, nucleophilic attack of a zinc-bound nucleophilic water molecule at the carbonyl carbon and the amide bond cleavage, are consistent with the glutamate-assisted mechanism hypothesized for the zinc-dependent hydrolases. The stages of formation of the products, acetate and l-aspartate, and regeneration of the enzyme are characterized for the first time. The constructed free energy diagram from the reactants to the products suggests that the enzyme regeneration, but not the nucleophilic attack of the catalytic water molecule, corresponds to the rate-determining stage of the full catalytic cycle of ASPA. PMID:27089954

  11. Use of the Lorentz-operator in relativistic quantum mechanics to guarentee a single-energy root

    Energy Technology Data Exchange (ETDEWEB)

    Ritchie, A B

    1998-08-01

    The Lorentz-operator form of relativistic quantum mechanics, with relativistic wave equation i{h_bar}{partial_derivative}{psi}/{partial_derivative}t=(mc{sup 2}{gamma}+e{Phi}){psi}, is implemented to guarantee a single-energy root. The Lorentz factor as modified by Pauli's ansatz is given by {gamma}={radical}1+[{rvec {sigma}}{center_dot}(i{h_bar}{rvec {del}}+(e/c){rvec A})]{sup 2}/m{sup 2}c{sup 2}, such that the theory is appropriate for electrons. Magnetic fine structure in the Lorentz relativistic wave equation emerges on the use of an appropriate operator form of the Lienard-Wiechert four- potential ({Phi},{rvec A}) from electromagnetic theory. Although computationally more intensive the advantage of the theory is the elimination of the negative-root of the energy and an interpretation of the wave function based on a one-particle, positive definite probability density like that of nonrelativistic quantum mechanics.

  12. Catalytic reforming process

    Energy Technology Data Exchange (ETDEWEB)

    Absil, R.P.; Huss, A. Jr.; McHale, W.D.; Partridge, R.D.

    1989-06-13

    This patent describes a catalytic reforming process which comprises contacting a naphtha range feed with a low acidity extrudate comprising an intermediate and/or a large pore acidic zeolite bound with a low acidity refractory oxide under reforming conditions to provide a reaction product of increased aromatic content, the extrudate having been prepared with at least an extrusion-facilitating amount of a low acidity refractory oxide in colloidal form and containing at least one metal species selected from the platinum group metals.

  13. Catalytic pleat filter bags for combined particulate separation and nitrogen oxides removal from flue gas streams

    International Nuclear Information System (INIS)

    The development of a high temperature catalytically active pleated filter bag with hybrid filter equipment for the combined removal of particles and nitrogen oxides from flue gas streams is presented. A special catalyst load in stainless steel mesh cartridge with a high temperature pleated filter bag followed by optimized catalytic activation was developed to reach the required nitrogen oxides levels and to maintain the higher collection efficiencies. The catalytic properties of the developed high temperature filter bags with hybrid filter equipment were studied and demonstrated in a pilot scale test rig and a demonstration plant using commercial scale of high temperature catalytic pleated filter bags. The performance of the catalytic pleated filter bags were tested under different operating conditions, such as filtration velocity and operating temperature. Moreover, the cleaning efficiency and residual pressure drop of the catalyst loaded cartridges in pleated filter bags were tested. As result of theses studies, the optimum operating conditions for the catalytic pleated filter bags are determined. (author)

  14. 一种新的生产计划与催化裂化装置过程操作集成的闭环策略%A novel close-loop strategy for Integrating Process Operations of Fluidized Catalytic Cracking Unit with Production Planning Optimization

    Institute of Scientific and Technical Information of China (English)

    王如强; 李初福; 何小荣; 陈丙珍

    2008-01-01

    Production planning models generated by common modeling systems do not involve constraints for process operations, and a solution optimized by these models is called a quasi-optimal plan. The quasi-optimal plan cannot be executed in practice some time for no corresponding operating conditions. In order to determine a practically feasible optimal plan and corresponding operating conditions of fluidized catalytic cracking unit (FCCU), a novel close-loop integrated strategy, including determination of a quasi-optimal plan, search of operating conditions of FCCU and revision of the production planning model, was proposed in this article. In the strategy, a generalized genetic algorithm (GA) coupled with a sequential process simulator of FCCU was applied to search operating conditions implementing the quasi-optimal plan of FCCU and output the optimal individual in the GA search as a final genetic individual. When no corresponding operating conditions were found, the final genetic individual based correction (FGIC) method was presented to revise the production planning model, and then a new quasi-optimal production plan was determined. The above steps were repeated until a practically feasible optimal plan and corresponding operating conditions of FCCU were obtained. The close-loop integrated strategy was validated by two cases, and it was indicated that the strategy was efficient in determining a practically executed optimal plan and corresponding operating conditions of FCCU.

  15. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, October 1--December 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, H.; Iglesia, E.; Perry, D.L.

    1993-12-01

    This report covers the time period from October 1 through December 31, 1993. A description of tasks for fiscal year 1994 is included in this report. Highlights and progress of work performed during this quarter is reported in (a) catalytic steam gasification of coals and cokes; (b) oxidative coupling of methane; and (c) synthesis and characterization of catalysts. Attached to this report is a copy of a manuscript submitted to Proceeding of Fuels Technology Contractors Meeting {open_quotes}Steady-State and Transient Catalytic Oxidation and Coupling of Methane{close_quotes} by Heinemann, Iglesia, and Perry.

  16. Reactive Mechanisms of LSCF Single-Phase and LSCF-CGO Composite Electrodes Operated in Anodic and Cathodic Polarisations

    International Nuclear Information System (INIS)

    An in-house model for a MIEC or MIEC-CGO composite has been built in order to analyse the electrode operating mechanisms in anodic and cathodic polarisations (SOEC and SOFC modes). A special attention has been paid to take into account the electrode microstructure properties as well as the most likely processes occurring therein. The reactive pathway has been divided in a sequence of reaction steps with a first oxidoreduction at the gas/MIEC surface, and a second one in parallel at the electrode TPBs. The model has been calibrated on experimental data recorded at 800 °C on a LSCF electrode tested in a symmetrical test configuration. A good agreement was found between simulated and experimental polarisation curves by using the electrode microstructural properties extracted from a 3D reconstruction obtained by FIB-SEM tomography. Considering the LSCF single-phase electrode, simulation results have highlighted that the reactive pathway is governed by the oxygen exchange at the gas/MIEC surface in cathodic polarisation. The mechanism is found to remain unchanged at low anodic polarisation, whereas oxidation at TPBs becomes the predominant reactive pathway at higher polarisation. For the LSCF-CGO composite, simulations have shown that the reactive mechanism is governed by the charge transfer at TPBs whatever the electrode polarisation. Thanks to sensitivity analysis, the rate-limiting steps of the different reactive pathways are also discussed

  17. Analysis on the Load Carrying Mechanism Integrated as Heterogeneous Co-operative Manipulator in a Walking Wheelchair

    Science.gov (United States)

    Rajay Vedaraj, I. S.; Jain, Ritika; Rao, B. V. A.

    2014-07-01

    After industrial robots came into existence during 1960, the technology of robotics with the design and analysis of robots in various forms in industries as well as in domestic applications were developed. Nowadays, along with the automotive sector the robots are producing a great impact in the form of quality and production rate to register their existence reliable in various other sectors also. Robotic technology has undergone various phase translations from being tortured as humanoids to the present day manipulators. Depending upon the various forms of its existence, robot manipulators are designed as serial manipulators and parallel manipulators. Individually both types can be proved effective though both have various drawbacks in design and the kinematic analysis. The versatility of robots can be increased by making them work in an environment where the same work volume is shared by more than one manipulator. This work volume can be identified as co-operative work volume of those manipulators. Here the interference of manipulators in the work volume of other manipulators is possible and is made obstacle free. The main advantage of co-operative manipulators is that when a number of independent manipulators are put together in a cooperative work envelope the efficiency and ability to perform tasks is greatly enhanced. The main disadvantage of the co-operative manipulators lies in the complication of its design even for a simple application, in almost all fields. In this paper, a cooperative design of robot manipulators to work in co-operative work environment is done and analysed for its efficacy. In the industrial applications when robotic manipulators are put together in more numbers, the trajectory planning becomes the tough task in the work cell. Proper design can remove the design defects of the cooperative manipulators and can be utilized in a more efficient way. In the proposed research paper an analysis is made on such a type of cooperative manipulator

  18. Non-thermal plasmas for non-catalytic and catalytic VOC abatement

    International Nuclear Information System (INIS)

    Highlights: → We review the current status of catalytic and non-catalytic VOC abatement based on a vast number of research papers. → The underlying mechanisms of plasma-catalysis for VOC abatement are discussed. → Critical process parameters that determine the influent are discussed and compared. - Abstract: This paper reviews recent achievements and the current status of non-thermal plasma (NTP) technology for the abatement of volatile organic compounds (VOCs). Many reactor configurations have been developed to generate a NTP at atmospheric pressure. Therefore in this review article, the principles of generating NTPs are outlined. Further on, this paper is divided in two equally important parts: plasma-alone and plasma-catalytic systems. Combination of NTP with heterogeneous catalysis has attracted increased attention in order to overcome the weaknesses of plasma-alone systems. An overview is given of the present understanding of the mechanisms involved in plasma-catalytic processes. In both parts (plasma-alone systems and plasma-catalysis), literature on the abatement of VOCs is reviewed in close detail. Special attention is given to the influence of critical process parameters on the removal process.

  19. COAL CONVERSION WASTEWATER TREATMENT BY CATALYTIC OXIDATION IN SUPERCRITICAL WATER; FINAL

    International Nuclear Information System (INIS)

    phenoxy radicals, which then react in the fluid phase by the same mechanism operative for non-catalytic SCWO of phenol. The rates of phenol disappearance and CO(sub 2) formation are sensitive to the phenol and O(sub 2) concentrations, but independent of the water density. Power-law rate expressions were developed to correlate the catalytic kinetics. The catalytic kinetics were also consistent with a Langmuir-Hinshelwood rate law derived from a dual-site mechanism comprising the following steps: reversible adsorption of phenol on one type of catalytic site, reversible dissociative adsorption of oxygen on a different type of site, and irreversible, rate-determining surface reaction between adsorbed phenol and adsorbed oxygen

  20. Some rock mechanics laboratory testing related to the construction and operation of AECL's Underground Research Laboratory (URL)

    International Nuclear Information System (INIS)

    In preparation for and in support of the geomechanical investigations during the Construction and Operating Phases of the URL, considerable rock mechanics laboratory testing work has been conducted over a range of conditions. The main objectives of the laboratory testing programs are twofold: (1) to provide a rock properties database for the URL rock mass for input into numerical models and the design of in situ experiments; (ii) to study the behaviours of the rocks under the repository conditions when they are subjected to changes in stress, temperature, humidity and other time-dependent factors. This paper discusses some testing programs undertaken in the Mining, Laboratories - Nepean (formerly known as Mining Research Laboratories, CANMET) of Natural Resources Canada. Particular emphasis is placed on relating the laboratory-scale behaviour of the rock samples to the in situ behaviour of the rock mass. (author)

  1. Qualification of a passive catalytic module for hydrogen mitigation

    International Nuclear Information System (INIS)

    The advantage of passive catalytic modules for hydrogen mitigation during core-melt accidents, as compared with active devices like forced-flow recombiners or ignitors, is given by the high reliability of operation and the elimination of potentially violent combustion events. An important step in the qualification of a passive catalytic module system is the determination of the total required capacity and its distribution at various locations in the containment. Experiments and analytic modeling work were performed to qualify the installation of a system of catalytic modules for a large dry pressurized water reactor (PWR) containment. The operational capacity of a prototype catalytic module was determined experimentally, and a corresponding model correlation was developed and integrated into the GOTHIC containment code. This modified code was validated against experimental data. As an application, predictions of the effects, resulting from backfitting a large, dry PWR containment with 50 catalytic modules, were done using the modified code. The catalytic modules keep the hydrogen concentrations below a level of 10% where violent deflagrations could be expected. Local higher concentrations near the release location are inert due to associated low oxygen and high steam concentrations. A proper distribution of the modules in the containment guarantees full mixing of the atmosphere due to natural convective currents

  2. Mechanized farming in the humid tropics with special reference to soil tillage, workability and timeliness of farm operations. A case study for the Zanderij area of Suriname

    OpenAIRE

    Goense, D.

    1987-01-01

    The reported investigations concern aspects of mechanized farming for the production of rainfed crops on the loamy soils of the Zanderij formation in Suriname and in particular, the effect of tillage on crop yield and soil properties, workability of field operations and timeliness of field operations. The results were evaluated as to their effect on prospects for mechanized farming in this area.The work was carried out within a joint research project of the Agricultural university Wageningen ...

  3. Biofiltration of volatile pollutants: Engineering mechanisms for improved design, long-term operation, prediction, and implementation. 1997 annual progress report

    International Nuclear Information System (INIS)

    'Biofiltration systems can be used to treat volatile organic compounds (VOCs); however, the systems are poorly understood and are currently operated as black boxes. Common operational problems associated with biofilters include fouling, deactivation, and overgrowth, all of which make biofilters ineffective for continuous, long-term use. The objective of this investigation is to develop generic methods for long-term stable operation, in particular by using selective limitation of supplemental nutrients while maintaining high activity and the ability to regenerate biofilter activity. As part of this effort, the authors will provide a deeper fundamental understanding of the important biological and transport mechanisms in biodestruction of sparingly soluble VOCs and will extend this engineering approach and developed mathematical models to two additional systems of high-priority environmental management (EM) relevance-direct degradation and cometabolic degradation of priority pollutants such as BTEX (benzene, toluene, ethylbenzene, and xylene) and TCE (trichioroethylene), respectively. Preliminary results indicate that the author can control overgrowth of the biofilm while sustaining high degradation rates and develop basic predictive models that elucidate mass transfer and kinetic limitations in this system for alkanes. The alkanes are degraded into CO, and waterwith minimal biomass (due to the methodology proposed). This system will be used to test and model additional supplemental nutrient feeding strategies as well as methods to increase the fundamental driving forces by modification of the system. Models will be extended to non-steady-state, long-term operation. The author will examine the nature of the mixed microbial community in the VOC-degrading biofilm and test for new degradative activities. He will use cosolvents with surfactant properties to enhance hydrocarbon solubility in the biofilm and evaluate their impact on mass transfer and reaction rate in an

  4. Evolution of random catalytic networks

    Energy Technology Data Exchange (ETDEWEB)

    Fraser, S.M. [Santa Fe Inst., NM (United States); Reidys, C.M. [Santa Fe Inst., NM (United States)]|[Los Alamos National Lab., NM (United States)

    1997-06-01

    In this paper the authors investigate the evolution of populations of sequences on a random catalytic network. Sequences are mapped into structures, between which are catalytic interactions that determine their instantaneous fitness. The catalytic network is constructed as a random directed graph. They prove that at certain parameter values, the probability of some relevant subgraphs of this graph, for example cycles without outgoing edges, is maximized. Populations evolving under point mutations realize a comparatively small induced subgraph of the complete catalytic network. They present results which show that populations reliably discover and persist on directed cycles in the catalytic graph, though these may be lost because of stochastic effects, and study the effect of population size on this behavior.

  5. Bifunctional catalytic electrode

    Science.gov (United States)

    Cisar, Alan (Inventor); Murphy, Oliver J. (Inventor); Clarke, Eric (Inventor)

    2005-01-01

    The present invention relates to an oxygen electrode for a unitized regenerative hydrogen-oxygen fuel cell and the unitized regenerative fuel cell having the oxygen electrode. The oxygen electrode contains components electrocatalytically active for the evolution of oxygen from water and the reduction of oxygen to water, and has a structure that supports the flow of both water and gases between the catalytically active surface and a flow field or electrode chamber for bulk flow of the fluids. The electrode has an electrocatalyst layer and a diffusion backing layer interspersed with hydrophilic and hydrophobic regions. The diffusion backing layer consists of a metal core having gas diffusion structures bonded to the metal core.

  6. Complete determination of the Pin1 catalytic domain thermodynamic cycle by NMR lineshape analysis

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, Alexander I.; Rogals, Monique J.; De, Soumya [Cornell University, Department of Molecular Biology and Genetics (United States); Lu, Kun Ping [Cancer Biology Program and Biology of Aging Program, Beth Israel Deaconess Medical Center, Harvard Medical School (United States); Kovrigin, Evgenii L. [Marquette University, Chemistry Department (United States); Nicholson, Linda K., E-mail: lkn2@cornell.edu [Cornell University, Department of Molecular Biology and Genetics (United States)

    2011-09-15

    The phosphorylation-specific peptidyl-prolyl isomerase Pin1 catalyzes the isomerization of the peptide bond preceding a proline residue between cis and trans isomers. To best understand the mechanisms of Pin1 regulation, rigorous enzymatic assays of isomerization are required. However, most measures of isomerase activity require significant constraints on substrate sequence and only yield rate constants for the cis isomer, k{sub cat}{sup cis} and apparent Michaelis constants, K{sub M}{sup App}. By contrast, NMR lineshape analysis is a powerful tool for determining microscopic rates and populations of each state in a complex binding scheme. The isolated catalytic domain of Pin1 was employed as a first step towards elucidating the reaction scheme of the full-length enzyme. A 24-residue phosphopeptide derived from the amyloid precurser protein intracellular domain (AICD) phosphorylated at Thr668 served as a biologically-relevant Pin1 substrate. Specific {sup 13}C labeling at the Pin1-targeted proline residue provided multiple reporters sensitive to individual isomer binding and on-enzyme catalysis. We have performed titration experiments and employed lineshape analysis of phosphopeptide {sup 13}C-{sup 1}H constant time HSQC spectra to determine k{sub cat}{sup cis}, k{sub cat}{sup trans}, K{sub D}{sup cis}, and K{sub D}{sup trans} for the catalytic domain of Pin1 acting on this AICD substrate. The on-enzyme equilibrium value of [E{center_dot}trans]/[E{center_dot}cis] = 3.9 suggests that the catalytic domain of Pin1 is optimized to operate on this substrate near equilibrium in the cellular context. This highlights the power of lineshape analysis for determining the microscopic parameters of enzyme catalysis, and demonstrates the feasibility of future studies of Pin1-PPIase mutants to gain insights on the catalytic mechanism of this important enzyme.

  7. Complete determination of the Pin1 catalytic domain thermodynamic cycle by NMR lineshape analysis

    International Nuclear Information System (INIS)

    The phosphorylation-specific peptidyl-prolyl isomerase Pin1 catalyzes the isomerization of the peptide bond preceding a proline residue between cis and trans isomers. To best understand the mechanisms of Pin1 regulation, rigorous enzymatic assays of isomerization are required. However, most measures of isomerase activity require significant constraints on substrate sequence and only yield rate constants for the cis isomer, kcatcis and apparent Michaelis constants, KMApp. By contrast, NMR lineshape analysis is a powerful tool for determining microscopic rates and populations of each state in a complex binding scheme. The isolated catalytic domain of Pin1 was employed as a first step towards elucidating the reaction scheme of the full-length enzyme. A 24-residue phosphopeptide derived from the amyloid precurser protein intracellular domain (AICD) phosphorylated at Thr668 served as a biologically-relevant Pin1 substrate. Specific 13C labeling at the Pin1-targeted proline residue provided multiple reporters sensitive to individual isomer binding and on-enzyme catalysis. We have performed titration experiments and employed lineshape analysis of phosphopeptide 13C–1H constant time HSQC spectra to determine kcatcis, kcattrans, KDcis, and KDtrans for the catalytic domain of Pin1 acting on this AICD substrate. The on-enzyme equilibrium value of [E·trans]/[E·cis] = 3.9 suggests that the catalytic domain of Pin1 is optimized to operate on this substrate near equilibrium in the cellular context. This highlights the power of lineshape analysis for determining the microscopic parameters of enzyme catalysis, and demonstrates the feasibility of future studies of Pin1-PPIase mutants to gain insights on the catalytic mechanism of this important enzyme.

  8. Research on new type of fast-opening mechanism in steam turbine regulating system and optimization of operation tactic

    Institute of Scientific and Technical Information of China (English)

    Xiao-xiao LI; Xuan-yin WANG; Fu-shang LI

    2008-01-01

    With the analysis on regulating system in 200 MW steam turbine, the necessity of appending the fast-opening function to the original system is set forth and a new type of fast-opening mechanism is devised. The mathematical model of system is built up. With the use of AMESIM software, the displacement curve of the piston, the force curve of the cartridge valve spool, the pressure curve and the flux curve in the regulation process are obtained based on simulation. The performances of three fast-opening systems composed of cartridge valves with different diameters are compared. Based on the analysis on factors that affect the execution time of fast-opening, the dead zone of the fast-opening system is put forward, To overcome the defect, different operation modes are adopted for different zones. The result shows that with the increase of the valve diameter, the regulating time in the dead zone significantly exceeds the fast-opening time in the whole journey. Accordingly, the optimization operation tactic in the dead zone and the qualification conditions are brought forward. The fast-opening system composed of 32 mm cartridge valves is taken as an example with use of the tactic. The simulation result shows that the maximum regulating time is shortened by 509 ms.

  9. Comparative study between dexmedetomidine and fentanyl for sedation during mechanical ventilation in post-operative paediatric cardiac surgical patients

    Directory of Open Access Journals (Sweden)

    S R Prasad

    2012-01-01

    Full Text Available Aims and Objectives: To compare the efficacy of sedation and time taken for extubation using dexmedetomidine and fentanyl sedation in post-operative paediatric cardiac surgical patients. Methods: A prospective randomized double-blind study involving 60 children undergoing open heart surgery was conducted. The patients were divided into two groups, each involving 30 patients. One group received fentanyl at 1 μg/kg/h (Group A and the other received dexmedetomidine at 0.5 μg/kg/h (Group B for post-operative sedation with intermittent rescue fentanyl 0.5 μg/kg bolus in either group as per requirement during suctioning. The efficacy of sedation was assessed using the Ramsay sedation score, paediatric intensive care unit sedation score and the tracheal suction score. The time taken for extubation from the stoppage of infusion was noted. Results: Haemodynamic parameters between the two groups were comparable. All sedation scores were comparable in the fentanyl and dexmedetomidine groups. Average time (in minutes required for extubation was 131.0 (±51.06 SD in the dexmedetomidine group compared with 373.0 (±121.4 SD in the fentanyl group. The difference in mean time for extubation was statistically significant. Conclusions: Dexmedetomidine facilitates adequate sedation for mechanical ventilation and also early extubation as compared with fentanyl.

  10. Catalytic Combustion of Gasified Waste

    Energy Technology Data Exchange (ETDEWEB)

    Kusar, Henrik

    2003-09-01

    This thesis concerns catalytic combustion for gas turbine application using a low heating-value (LHV) gas, derived from gasified waste. The main research in catalytic combustion focuses on methane as fuel, but an increasing interest is directed towards catalytic combustion of LHV fuels. This thesis shows that it is possible to catalytically combust a LHV gas and to oxidize fuel-bound nitrogen (NH{sub 3}) directly into N{sub 2} without forming NO{sub x} The first part of the thesis gives a background to the system. It defines waste, shortly describes gasification and more thoroughly catalytic combustion. The second part of the present thesis, paper I, concerns the development and testing of potential catalysts for catalytic combustion of LHV gases. The objective of this work was to investigate the possibility to use a stable metal oxide instead of noble metals as ignition catalyst and at the same time reduce the formation of NO{sub x} In paper II pilot-scale tests were carried out to prove the potential of catalytic combustion using real gasified waste and to compare with the results obtained in laboratory scale using a synthetic gas simulating gasified waste. In paper III, selective catalytic oxidation for decreasing the NO{sub x} formation from fuel-bound nitrogen was examined using two different approaches: fuel-lean and fuel-rich conditions. Finally, the last part of the thesis deals with deactivation of catalysts. The various deactivation processes which may affect high-temperature catalytic combustion are reviewed in paper IV. In paper V the poisoning effect of low amounts of sulfur was studied; various metal oxides as well as supported palladium and platinum catalysts were used as catalysts for combustion of a synthetic gas. In conclusion, with the results obtained in this thesis it would be possible to compose a working catalytic system for gas turbine application using a LHV gas.

  11. Revolutionary systems for catalytic combustion and diesel catalytic particulate traps.

    Energy Technology Data Exchange (ETDEWEB)

    Stuecker, John Nicholas; Witze, Peter O.; Ferrizz, Robert Matthew; Cesarano, Joseph, III; Miller, James Edward

    2004-12-01

    This report is a summary of an LDRD project completed for the development of materials and structures conducive to advancing the state of the art for catalyst supports and diesel particulate traps. An ancillary development for bio-medical bone scaffolding was also realized. Traditionally, a low-pressure drop catalyst support, such as a ceramic honeycomb monolith, is used for catalytic reactions that require high flow rates of gases at high-temperatures. A drawback to the traditional honeycomb monoliths under these operating conditions is poor mass transfer to the catalyst surface in the straight-through channels. ''Robocasting'' is a unique process developed at Sandia National Laboratories that can be used to manufacture ceramic monoliths with alternative 3-dimensional geometries, providing tortuous pathways to increase mass transfer while maintaining low-pressure drops. These alternative 3-dimensional geometries may also provide a foundation for the development of self-regenerating supports capable of trapping and combusting soot particles from a diesel engine exhaust stream. This report describes the structures developed and characterizes the improved catalytic performance that can result. The results show that, relative to honeycomb monolith supports, considerable improvement in mass transfer efficiency is observed for robocast samples synthesized using an FCC-like geometry of alternating rods. Also, there is clearly a trade-off between enhanced mass transfer and increased pressure drop, which can be optimized depending on the particular demands of a given application. Practical applications include the combustion of natural gas for power generation, production of syngas, and hydrogen reforming reactions. The robocast lattice structures also show practicality for diesel particulate trapping. Preliminary results for trapping efficiency are reported as well as the development of electrically resistive lattices that can regenerate the structure

  12. Failure Mechanisms and Color Stability in Light-Emitting Diodes during Operation in High- Temperature Environments in Presence of Contamination

    Energy Technology Data Exchange (ETDEWEB)

    Lall, Pradeep; Zhang, Hao; Davis, J Lynn

    2015-05-26

    The energy efficiency of light-emitting diode (LED) technology compared to incandescent light bulbs has triggered an increased focus on solid state luminaries for a variety of lighting applications. Solid-state lighting (SSL) utilizes LEDs, for illumination through the process of electroluminescence instead of heating a wire filament as seen with traditional lighting. The fundamental differences in the construction of LED and the incandescent lamp results in different failure modes including lumen degradation, chromaticity shift and drift in the correlated color temperature. The use of LED-based products for safety-critical and harsh environment applications necessitates the characterization of the failure mechanisms and modes. In this paper, failure mechanisms and color stability has been studied for commercially available vertical structured thin film LED (VLED) under harsh environment conditions with and without the presence of contaminants. The VLED used for the study was mounted on a ceramic starboard in order to connect it to the current source. Contamination sources studied include operation in the vicinity of vulcanized rubber and adhesive epoxies in the presence of temperature and humidity. Performance of the VLEDs has been quantified using the measured luminous flux and color shift of the VLEDs subjected to both thermal and humidity stresses under a forward current bias of 350 mA. Results indicate that contamination can result in pre-mature luminous flux degradation and color shift in LEDs.

  13. Material characterisation and preliminary mechanical design for the HL-LHC shielded beam screens operating at cryogenic temperatures

    CERN Document Server

    Garion, C; Koettig, T; Machiocha, W; Morrone, M

    2015-01-01

    The High Luminosity LHC project (HL-LHC) aims at increasing the luminosity (rate of collisions) in the Large Hadron Collider (LHC) experiments by a factor of 10 beyond the original design value (from 300 to 3000 fb-1). It relies on new superconducting magnets, installed close to the interaction points, equipped with new beam screen. This component has to ensure the vacuum performance together with shielding the cold mass from physics debris and screening the cold bore cryogenic system from beam induced heating. The beam screen operates in the range 40-60 K whereas the magnet cold bore temperature is 1.9 K. A tungsten-based material is used to absorb the energy of particles. In this paper, measurements of the mechanical and physical properties of such tungsten material are shown at room and cryogenic temperature. In addition, the design and the thermal mechanical behaviour of the beam screen assembly are presented also. They include the heat transfer from the tungsten absorbers to the cooling pipes and the sup...

  14. Method and apparatus for monitoring a hydrocarbon-selective catalytic reduction device

    Energy Technology Data Exchange (ETDEWEB)

    Schmieg, Steven J; Viola, Michael B; Cheng, Shi-Wai S; Mulawa, Patricia A; Hilden, David L; Sloane, Thompson M; Lee, Jong H

    2014-05-06

    A method for monitoring a hydrocarbon-selective catalytic reactor device of an exhaust aftertreatment system of an internal combustion engine operating lean of stoichiometry includes injecting a reductant into an exhaust gas feedstream upstream of the hydrocarbon-selective catalytic reactor device at a predetermined mass flowrate of the reductant, and determining a space velocity associated with a predetermined forward portion of the hydrocarbon-selective catalytic reactor device. When the space velocity exceeds a predetermined threshold space velocity, a temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is determined, and a threshold temperature as a function of the space velocity and the mass flowrate of the reductant is determined. If the temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is below the threshold temperature, operation of the engine is controlled to regenerate the hydrocarbon-selective catalytic reactor device.

  15. Unsteady catalytic processes and sorption-catalytic technologies

    International Nuclear Information System (INIS)

    Catalytic processes that occur under conditions of the targeted unsteady state of the catalyst are considered. The highest efficiency of catalytic processes was found to be ensured by a controlled combination of thermal non-stationarity and unsteady composition of the catalyst surface. The processes based on this principle are analysed, in particular, catalytic selective reduction of nitrogen oxides, deep oxidation of volatile organic impurities, production of sulfur by the Claus process and by hydrogen sulfide decomposition, oxidation of sulfur dioxide, methane steam reforming and anaerobic combustion, selective oxidation of hydrocarbons, etc.

  16. Catalytic production of biodiesel

    Energy Technology Data Exchange (ETDEWEB)

    Theilgaard Madsen, A.

    2011-07-01

    The focus of this thesis is the catalytic production of diesel from biomass, especially emphasising catalytic conversion of waste vegetable oils and fats. In chapter 1 an introduction to biofuels and a review on different catalytic methods for diesel production from biomass is given. Two of these methods have been used industrially for a number of years already, namely the transesterification (and esterification) of oils and fats with methanol to form fatty acid methyl esters (FAME), and the hydrodeoxygenation (HDO) of fats and oils to form straight-chain alkanes. Other possible routes to diesel include upgrading and deoxygenation of pyrolysis oils or aqueous sludge wastes, condensations and reductions of sugars in aqueous phase (aqueous-phase reforming, APR) for monofunctional hydrocarbons, and gasification of any type of biomass followed by Fischer-Tropsch-synthesis for alkane biofuels. These methods have not yet been industrialised, but may be more promising due to the larger abundance of their potential feedstocks, especially waste feedstocks. Chapter 2 deals with formation of FAME from waste fats and oils. A range of acidic catalysts were tested in a model fat mixture of methanol, lauric acid and trioctanoin. Sulphonic acid-functionalised ionic liquids showed extremely fast convertion of lauric acid to methyl laurate, and trioctanoate was converted to methyl octanoate within 24 h. A catalyst based on a sulphonated carbon-matrix made by pyrolysing (or carbonising) carbohydrates, so-called sulphonated pyrolysed sucrose (SPS), was optimised further. No systematic dependency on pyrolysis and sulphonation conditions could be obtained, however, with respect to esterification activity, but high activity was obtained in the model fat mixture. SPS impregnated on opel-cell Al{sub 2}O{sub 3} and microporous SiO{sub 2} (ISPS) was much less active in the esterification than the original SPS powder due to low loading and thereby low number of strongly acidic sites on the

  17. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, 1 January--31 March 1994

    Energy Technology Data Exchange (ETDEWEB)

    Iglesia, E.; Heinemann, H.; Perry, D.L. [Lawrence Berkeley Lab., CA (United States). Center for Advanced Materials

    1994-03-01

    This report describes work in progress on three tasks: (1) Catalytic steam gasification of coals and cokes; (2) Oxidative coupling of methane; and (3) Synthesis and characterization of catalysts. Since Task 1 is complete, a final report has been written. This report describes membrane reactors, cyclic methane conversion reactors, theoretical descriptions of reaction-separation schemes, and time-space relationships in cyclic and membrane reactors, all subtasks of Task 2. Initial studies under Task 3 are briefly described.

  18. Alkali activated materials based on fluid catalytic cracking catalyst residue (FCC): Influence ofSiO2/Na2O and H2O/FCC ratio on mechanical strength and microstructure

    OpenAIRE

    Mitsuuchi Tashima, Mauro; AKASAKI, JORGE LUIS; Melges, J.L.P.; Soriano Martinez, Lourdes; Monzó Balbuena, José Mª; Paya Bernabeu, Jorge Juan; Borrachero Rosado, María Victoria

    2013-01-01

    Reuse of industrial and agricultural wastes as supplementary cementitious materials (SCMs) in concrete and mortar productions contribute to sustainable development. In this context, fluid catalytic cracking catalyst residue (spent FCC), a byproduct from the petroleum industry and petrol refineries, have been studied as SCM in blended Portland cement in the last years. Nevertheless, another environmental friendly alternative has been conducted in order to produce alternative binders with low C...

  19. Development of Catalytic Cooking Plates

    Energy Technology Data Exchange (ETDEWEB)

    Hjelm, Anna-Karin; Silversand, Fredrik [CATATOR AB, Lund (Sweden); Tena, Emmanuel; Berger, Marc [Gaz de France (France)

    2004-04-01

    Gas catalytic combustion for gas stoves or cooking plates (closed catalytic burner system with ceramic plates) is a very promising technique in terms of ease of cleaning, power modulation and emissions. Previous investigations show that wire mesh catalysts, prepared and supplied by Catator AB (CAT), seem to be very well suited for such applications. Beside significantly reducing the NOx-emissions, these catalysts offer important advantages such as good design flexibility, low pressure drop and high heat transfer capacity, where the latter leads to a quick thermal response. Prior to this project, Gaz de France (GdF) made a series of measurements with CAT's wire mesh catalysts in their gas cooking plates and compared the measured performance with similar results obtained with theirs cordierite monolith catalysts. Compared to the monolith catalyst, the wire mesh catalyst was found to enable very promising results with respect to both emission levels (<10 mg NO{sub x} /kWh, <5 mg CO/kWh) and life-time (>8000 h vs. 700 h at 200 kW/m{sup 2}). It was however established that the radiation and hence, the thermal efficiency of the cooking plate, was significantly less than is usually measured in combination with the monolith (15 % vs. 32 %). It was believed that the latter could be improved by developing new burner designs based on CAT's wire mesh concept. As a consequence, a collaboration project between GdF, CAT and the Swedish Gas Technology AB was created. This study reports on the design, the construction and the evaluation of new catalytic burners, based on CAT's wire mesh catalysts, used for the combustion of natural gas in gas cooking stoves. The evaluation of the burners was performed with respect to key factors such as thermal efficiency, emission quality and pressure drop, etc, by the use of theoretical simulations and experimental tests. Impacts of parameters such as the the wire mesh number, the wire mesh structure (planar or folded), the

  20. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, January 1, 1995--March 31, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Iglesia, E.; Perry, D.L.; Heinemann, H.

    1995-03-01

    The synthesis of ethane and ethylene from methane and oxygen will be carried out in novel hydrogen transport inorganic membranes and in cyclic reactors in order to prevent undesirable secondary reactions of C{sub 2} molecules to CO and CO{sub 2}. Neither inorganic membrane reactors nor cyclic tubular reactors are presently used in commercial processes. Their application to catalytic reactions represents a novel application of engineering and solid-state chemistry concepts to catalytic reactions. Our approach combines high temperature membrane and cyclic experimental reactors, synthesis and characterization of thin membrane films and of high surface area catalysts, and detailed models of complex gas phase and surface reactions involved in oxidative coupling. We anticipate that this approach will lead to novel reactors for carrying our kinetic-controlled sequential reactions, such as the oxidative coupling of methane. Careful spectrographic and wet chemical analyses of fresh and silent catalysts have shown considerable differences which have permitted conclusions as to the source of deactivation. Our activities in the first quarter FYI 995 have focused on the synthesis, structural characterization, and catalytic evaluation of membrane films, disks, and reactors. We have also continued to exploit reaction-transport models to predict the performance of membrane, cyclic, and recycle reactors in the oxidative coupling of methane.

  1. Probing catalytic rate enhancement during intramembrane proteolysis.

    Science.gov (United States)

    Arutyunova, Elena; Smithers, Cameron C; Corradi, Valentina; Espiritu, Adam C; Young, Howard S; Tieleman, D Peter; Lemieux, M Joanne

    2016-09-01

    Rhomboids are ubiquitous intramembrane serine proteases involved in various signaling pathways. While the high-resolution structures of the Escherichia coli rhomboid GlpG with various inhibitors revealed an active site comprised of a serine-histidine dyad and an extensive oxyanion hole, the molecular details of rhomboid catalysis were unclear because substrates are unknown for most of the family members. Here we used the only known physiological pair of AarA rhomboid with its psTatA substrate to decipher the contribution of catalytically important residues to the reaction rate enhancement. An MD-refined homology model of AarA was used to identify residues important for catalysis. We demonstrated that the AarA active site geometry is strict and intolerant to alterations. We probed the roles of H83 and N87 oxyanion hole residues and determined that substitution of H83 either abolished AarA activity or reduced the transition state stabilization energy (ΔΔG‡) by 3.1 kcal/mol; substitution of N87 decreased ΔΔG‡ by 1.6-3.9 kcal/mol. Substitution M154, a residue conserved in most rhomboids that stabilizes the catalytic general base, to tyrosine, provided insight into the mechanism of nucleophile generation for the catalytic dyad. This study provides a quantitative evaluation of the role of several residues important for hydrolytic efficiency and oxyanion stabilization during intramembrane proteolysis. PMID:27071148

  2. Catalytic applications of bio-inspired nanomaterials

    Science.gov (United States)

    Pacardo, Dennis Kien Balaong

    The biomimetic synthesis of Pd nanoparticles was presented using the Pd4 peptide, TSNAVHPTLRHL, isolated from combinatorial phage display library. Using this approach, nearly monodisperse and spherical Pd nanoparticles were generated with an average diameter of 1.9 +/- 0.4 nm. The peptide-based nanocatalyst were employed in the Stille coupling reaction under energy-efficient and environmentally friendly reaction conditions of aqueous solvent, room temperature and very low catalyst loading. To this end, the Pd nanocatalyst generated high turnover frequency (TOF) value and quantitative yields using ≥ 0.005 mol% Pd as well as catalytic activities with different aryl halides containing electron-withdrawing and electron-donating groups. The Pd4-capped Pd nanoparticles followed the atom-leaching mechanism and were found to be selective with respect to substrate identity. On the other hand, the naturally-occurring R5 peptide (SSKKSGSYSGSKGSKRRIL) was employed in the synthesis of biotemplated Pd nanomaterials which showed morphological changes as a function of Pd:peptide ratio. TOF analysis for hydrogenation of olefinic alcohols showed similar catalytic activity regardless of nanomorphology. Determination of catalytic properties of these bio-inspired nanomaterials are important as they serve as model system for alternative green catalyst with applications in industrially important transformations.

  3. Geo-mechanical Model Testing for Stability of Underground Gas Storage in Halite During the Operational Period

    Science.gov (United States)

    Chen, Xuguang; Zhang, Qiangyong; Li, Shucai; Liu, Dejun

    2016-07-01

    A 3D geo-mechanical model test is conducted to study the stability of underground gas storage in halite, modeled after the Jintan gas storage constructed in bedded salt rock in China. A testing apparatus is developed to generate long-term stable trapezoid geostresses onto the model cavity, corresponding to the actual gas storage cavern. The time-depending character of the material is simulated using a rheological material, which was tested using a self-developed apparatus. The model cavern is built using an ellipsoid wooden mold divided into small blocks which are assembled and placed into the designed position during the model construction. They are then pulled out one by one to form the cavern. The ellipsoid cavern wall is then lined within a latex balloon. Gas is injected into the cavity and extracted to simulate the operational process of gas injection and recovery. Optical sensors embedded into the model to measure the displacement around the cavity showed that the largest deformation occurs in the middle section of the cavity. The deformation rate increases with increasing gas pressure. At 11 MPa the cavity is in equilibrium with the geostress. The pressure is highest during the gas recovery stages, indicating that gas recovery can threaten the cavern's operational stability, while high gas injection causes rock mass compression and deformation outward from the cavern. The deformation is the combination of cavern convergence and gas-induced rebound which leads to tensile and compression during gas injection and recovery. Hence, the fatigue properties of salt rock should be studied further.

  4. Heart rate variability at limiting stationarity: evidence of neuro-cardiac control mechanisms operating at ultra-low frequencies

    International Nuclear Information System (INIS)

    This study considers the linkage of exogenously stimulated emotional stress with the neurogenic regulation of heart rate operating at very low frequencies. The objectives were three-fold: to consider the present evidence that such a linkage exists as a primary phenomenon; to compare the potential of a frequency-domain method and a time-domain method in revealing this phenomenon by characterizing heart rate variability (HRV) at frequencies of [0.0005…0.4] Hz and to design, implement and report a physiological experiment in which alternating periods of exposure to bland and high valence visual stimuli might reveal this phenomenon. A methodical challenge was to optimize the length of exposure to the stimulus such that subjects did not have time to habituate to stimuli, whilst acquiring sufficient data (heart beats) such that the ultra-low frequency (ULF) components of HRV could be described. With exposure times set to approximately 5 min, during which time the strength of the stimulus and the corresponding evoked response were considered stationary, the lowest HRV frequency component that could be characterized was 0.003 Hz. In trials with parametrically defined test data, the time-domain method based on the Ornstein–Uhlenbeck Gaussian process (OU-GP) was shown to be better than the frequency-domain method in describing the ULF components of the HRV. In an experimental cohort of 16 subjects, analysis using the OU-GP revealed evidence of cardiac regulatory mechanisms influenced by emotional valence operating in the bandwidth (ULF*) [0.002…0.01] Hz. (paper)

  5. Experimental catalytic isotopic exchange column control

    International Nuclear Information System (INIS)

    Full text: In this paper we present a method for monitoring and control of the experimental catalytic isotopic exchange column which is part of ETRF (experimental tritium removal facility) of the ICIT Rm. Valcea. The initial data acquisition system based on analogue instruments is now upgraded to a fully digital system. Therefore we chose to use Compact Field Point which is a programmable automation controller (PAC) and LabVIEW software. To operate the catalytic isotopic exchange column there are some control loops that need to be operated simultaneously, namely: the heavy water column feed temperature and flow rate; the hydrogen gas column feed temperature; the flow rate and pressure at the top of the column; the water vapor flow rate; the hydrogen gas temperature at the condenser output. The human machine interface (HMI) realized with LabVIEW software is very friendly. The use of the PAC graphics interface makes isotopic exchange process operation easier for operators and researchers. The HMI has the functions to provide visualization of process parameters, to enable interaction with the process and also to provide alarms and event notification to operators about any abnormal situation in the plant. To interact with the process, detailed displays which contain specific control functions to operate the column, can be used. Usually, the faceplate display shows the controlled process variable and the output of the control loop. Furthermore, the set point and the operating mode of the control loop can be changed. Additionally, detailed information is available related to the parameters of PID controller and the different alarms that can be authorized in this control loop with its corresponding values of activation. (authors)

  6. Mechanics

    CERN Document Server

    Hartog, J P Den

    1961-01-01

    First published over 40 years ago, this work has achieved the status of a classic among introductory texts on mechanics. Den Hartog is known for his lively, discursive and often witty presentations of all the fundamental material of both statics and dynamics (and considerable more advanced material) in new, original ways that provide students with insights into mechanical relationships that other books do not always succeed in conveying. On the other hand, the work is so replete with engineering applications and actual design problems that it is as valuable as a reference to the practicing e

  7. A new exact quantum mechanical rovibrational kinetic energy operator for penta-atomic systems in internal coordinates

    Institute of Scientific and Technical Information of China (English)

    陈光巨; 李玉学

    1999-01-01

    The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameterδ, the matrix element G?, and angular momentum operator (?). The applications of the operator are also discussed. Finally, a general compact form of kinetic energy operator suitable for calculating the rovibrational spectra of polyatomie molecules is presented.

  8. 安全操作系统授权撤销机制的研究%Research of Revoking Mechanism of Authorization in Secure Operating System

    Institute of Scientific and Technical Information of China (English)

    吴新勇; 熊光泽

    2003-01-01

    Revoking operation is a very important component of access control. The lack of effective revoking operation impinges on supporting dynamic security policies in secure operation system. Analyzing authorization system,this paper presents a revoke policy which supports cascade and noncascade revocation. The policy adopts Hash authorization list and critical-based callback function to implement revocation of point to point and point to plane. Our experiments in security kernel show the mechanism is feasible ,which provides the basis of further researching dynamic security policies in secure operation system.

  9. A catalytic distillation process for light gas oil hydrodesulfurization

    Energy Technology Data Exchange (ETDEWEB)

    Vargas-Villamil, F.D.; Marroquin, J.O.; Paz, C. de la; Rodriguez, E. [Prog. de Matematicas Aplicadas y Computacion, Prog. de Tratamiento de Crudo Maya, Instituto Mexicano del Petroleo, Mexico City, DF (Mexico)

    2004-07-01

    A light gas oil hydrodesulfurization process via catalytic distillation is developed and compared to a conventional process. By integrating the separation and reaction into a single unit, the catalytic distillation may produce a diesel with low concentration of sulfur compounds at a lower cost than the traditional reaction/separation process. The process proposed in this work is compared to an optimised conventional hydrodesulfurization unit which represents fairly well a plant that belongs to the National System of Refineries. During the optimisation of the conventional process, a compromise is established among the production of diesel and naphtha and the operating costs. The results show that the light gas oil hydrodesulfurization via catalytic distillation is as or more efficient than the conventional process. However, the removal of the sulfur compounds is carried out under less rigorous conditions. This design reduces the fix and operational costs. (author)

  10. Immigration process in catalytic medium

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The longtime behavior of the immigration process associated with a catalytic super-Brownian motion is studied. A large number law is proved in dimension d≤3 and a central limit theorem is proved for dimension d=3.

  11. Catalytic partial oxidation of pyrolysis oils

    Science.gov (United States)

    Rennard, David Carl

    2009-12-01

    This thesis explores the catalytic partial oxidation (CPO) of pyrolysis oils to syngas and chemicals. First, an exploration of model compounds and their chemistries under CPO conditions is considered. Then CPO experiments of raw pyrolysis oils are detailed. Finally, plans for future development in this field are discussed. In Chapter 2, organic acids such as propionic acid and lactic acid are oxidized to syngas over Pt catalysts. Equilibrium production of syngas can be achieved over Rh-Ce catalysts; alternatively mechanistic evidence is derived using Pt catalysts in a fuel rich mixture. These experiments show that organic acids, present in pyrolysis oils up to 25%, can undergo CPO to syngas or for the production of chemicals. As the fossil fuels industry also provides organic chemicals such as monomers for plastics, the possibility of deriving such species from pyrolysis oils allows for a greater application of the CPO of biomass. However, chemical production is highly dependent on the originating molecular species. As bio oil comprises up to 400 chemicals, it is essential to understand how difficult it would be to develop a pure product stream. Chapter 3 continues the experimentation from Chapter 2, exploring the CPO of another organic functionality: the ester group. These experiments demonstrate that equilibrium syngas production is possible for esters as well as acids in autothermal operation with contact times as low as tau = 10 ms over Rh-based catalysts. Conversion for these experiments and those with organic acids is >98%, demonstrating the high reactivity of oxygenated compounds on noble metal catalysts. Under CPO conditions, esters decompose in a predictable manner: over Pt and with high fuel to oxygen, non-equilibrium products show a similarity to those from related acids. A mechanism is proposed in which ethyl esters thermally decompose to ethylene and an acid, which decarbonylates homogeneously, driven by heat produced at the catalyst surface. Chapter 4

  12. Autotrophic hydrogen photoproduction by operation of carbon-concentrating mechanism in Chlamydomonas reinhardtii under sulfur deprivation condition.

    Science.gov (United States)

    Hong, Min Eui; Shin, Ye Sol; Kim, Byung Woo; Sim, Sang Jun

    2016-03-10

    Under autotrophic conditions, starch plays an important role in establishing anoxic conditions during PSII-dependent hydrogen (H2) photoproduction in microalgae. This is because starch is the sole organic substrate during respiratory consumption of internal oxygen (O2) from PSII-dependent direct pathway. Herein, we propose a novel approach to further facilitate the internal starch synthesis of Chlamydomonas reinhardtii through the operation of carbon-concentrating mechanism (CCM) along with a two-stage process based on sulfur (S) deprivation, thereby resulting in enhanced anaerobic capacity during PSII-dependent H2 photoproduction. When CCM-induced cells were exposed to high levels of carbon dioxide (CO2) (5%, v/v) with S deprivation, internal levels of starch were significantly elevated by retaining a functional CCM with the boosted photosynthetic activity during 24h of O2 evolution phase (I) of S deprivation. Consequently, during H2 production phase of S deprivation at irradiance of 50μEm(-2)s(-1), the concentrations of starch and H2 in CCM-induced cells were remarkably enhanced by 65.0% and 218.9% compared to that of CCM-uninduced cells, respectively. The treatment of low-CO2-driven CCM induction prior to S deprivation is a cost-effective and energy-efficient strategy that significantly improves the solar-driven H2 production by microalgae; this is particularly realizable in an industrial scale. PMID:26812657

  13. The equivalence between the operator approach and the path integral approach for quantum mechanical non-linear sigma models

    CERN Document Server

    De Boer, J; Skenderis, K; van Nieuwenhuizen, P; de Boer, Jan; Peeters, Bas; Skenderis, Kostas; van Nieuwenhuizen, Peter

    1996-01-01

    We give background material and some details of calculations for two recent papers [1,2] where we derived a path integral representation of the transition element for supersymmetric and nonsupersymmetric nonlinear sigma models in one dimension (quantum mechanics). Our approach starts from a Hamiltonian H(\\hat{x}, \\hat{p}, \\hat{\\psi}, \\hat{\\psi}^\\dagger) with a priori operator ordering. By inserting a finite number of complete sets of x eigenstates, p eigenstates and fermionic coherent states, we obtain the discretized path integral and the discretized propagators and vertices in closed form. Taking the continuum limit we read off the Feynman rules and measure of the continuum theory which differ from those often assumed. In particular, mode regularization of the continuum theory is shown in an example to give incorrect results. As a consequence of time-slicing, the action and Feynman rules, although without any ambiguities, are necessarily noncovariant, but the final results are covariant if \\hat{H} is covari...

  14. Insurers' Operational and Credit Risk-Management as the Component of Insurers and Banks Mechanism of Integration in Ukraine

    OpenAIRE

    Yermoshenko Anastasiya N.

    2012-01-01

    The article defines and grounds the principles of operational and credit risk-management of insurance companies in the context of the functioning of insurers and banks mechanism of integration in Ukraine.В статье определены и обоснованно принципы управления операционными и кредитными рисками страховых компаний в контексте обеспечения эффективности функционирования механизма интеграции страховых компаний с банками в Украине....

  15. Catalytic DNA with phosphatase activity

    OpenAIRE

    Chandrasekar, Jagadeeswaran; Silverman, Scott K.

    2013-01-01

    Catalytic DNA sequences (deoxyribozymes, DNA enzymes, or DNAzymes) have been identified by in vitro selection for various catalytic activities. Expanding the limits of DNA catalysis is an important fundamental objective and may facilitate practical utility of catalysts that can be obtained from entirely unbiased (random) sequence populations. In this study, we show that DNA can catalyze Zn2+-dependent phosphomonoester hydrolysis of tyrosine and serine side chains (i.e., exhibit phosphatase ac...

  16. Transport in a Microfluidic Catalytic Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Park, H G; Chung, J; Grigoropoulos, C P; Greif, R; Havstad, M; Morse, J D

    2003-04-30

    A study of the heat and mass transfer, flow, and thermodynamics of the reacting flow in a catalytic microreactor is presented. Methanol reforming is utilized in the fuel processing system driving a micro-scale proton exchange membrane fuel cell. Understanding the flow and thermal transport phenomena as well as the reaction mechanisms is essential for improving the efficiency of the reforming process as well as the quality of the processed fuel. Numerical studies have been carried out to characterize the transport in a silicon microfabricated reactor system. On the basis of these results, optimized conditions for fuel processing are determined.

  17. Heterogeneous-catalytic redox reactions in nitrate - formate systems

    International Nuclear Information System (INIS)

    It was found that an intensive destruction of various organic and mineral substances - usual components of aqueous waste solutions (oxalic acid, complexones, urea, hydrazine, ammonium nitrate, etc.) takes place under the conditions of catalytic denitration. Kinetics and mechanisms of urea and ammonium nitrate decomposition in the system HNO3 - HCOOH - Pt/SiO2 are comprehensively investigated. The behaviour of uranium, neptunium and plutonium under the conditions of catalytic denitration is studied. It is shown, that under the certain conditions the formic acid is an effective reducer of the uranium (VI), neptunium (VI, V) and plutonium (VI, IV) ions. Kinetics of heterogeneous-catalytic red-ox reactions of uranium (VI), neptunium (VI, V) and plutonium (VI, IV) with formic acid are investigated. The mechanisms of the appropriate reactions are evaluated. (authors)

  18. Crystal Structure of the N-Acetyltransferase Domain of Human N-Acetyl-L-Glutamate Synthase in Complex with N-Acetyl-L-Glutamate Provides Insights into Its Catalytic and Regulatory Mechanisms

    OpenAIRE

    Zhao, Gengxiang; Jin, Zhongmin; Allewell, Norma M.; Tuchman, Mendel; Shi, Dashuang

    2013-01-01

    N-acetylglutamate synthase (NAGS) catalyzes the conversion of AcCoA and L-glutamate to CoA and N-acetyl-L-glutamate (NAG), an obligate cofactor for carbamyl phosphate synthetase I (CPSI) in the urea cycle. NAGS deficiency results in elevated levels of plasma ammonia which is neurotoxic. We report herein the first crystal structure of human NAGS, that of the catalytic N-acetyltransferase (hNAT) domain with N-acetyl-L-glutamate bound at 2.1 Å resolution. Functional studies indicate that the hNA...

  19. Mechanisms of the photo-catalytic water cleavage. Watching catalysts at their work by means of in-situ IR spectroscopy; Mechanismen der photokatalytischen Wasserspaltung. Mit in-situ IR-Spektroskopie dem Katalysator bei der Arbeit zusehen

    Energy Technology Data Exchange (ETDEWEB)

    Ludwig, Ralf [Rostock Univ. (Germany). Abt. Physikalische Chemie

    2012-11-15

    The scarcity of fossil resources and the global warming require the development of sustainable energy technologies. In this respect, the hydrogen production by means of a photo-catalytic water cleavage has a great potential. Solar energy is converted into the transportable and exploitable energy source hydrogen. The author of the contribution under consideration reports, that the in-situ infrared spectroscopy considerably contributes to the understanding of the formation, state and degradation of a catalyst. The development of an effective and environmentally friendly system of catalyst is facilitated.

  20. Advanced catalytic converter system for natural gas powered diesel engines

    Energy Technology Data Exchange (ETDEWEB)

    Strots, V.O.; Bunimovich, G.A.; Matros, Y.S. [Matros Technologies Inc., Chesterfield, Missouri (United States); Zheng, M.; Mirosh, E.A. [Alternative Fuel Systems Inc., Calgary, Alberta (Canada)

    1998-12-31

    The paper discusses the development of catalytic converter for aftertreatment of exhaust gas from diesel engines powered with natural gas. The converter, operated with periodical reversals of the flow, ensures destruction of CO and hydrocarbons, including methane. Both computer simulation and engine testing results are presented. 8 refs.

  1. The application of promaint software for the operation monitoring and maintenance of load-haulage mechanization in the Sasa Mine - Makedonska Kamenica

    OpenAIRE

    Despodov, Zoran; Mirakovski, Dejan; Stojov, Vlatko

    2008-01-01

    In this paper will be presented internal software called ProMaint produced by Atlas Copco Swedish Company. This software is used at the operation monitoring and maintenance of load, haulage and drilling equipment produced by Atlas Copco Company. More precisely, the paper will demonstrate the application of ProMaint software for monitoring the parameters of operation and maintenance on the load-haulage mechanization in the conditions of the Sasa Lead and Zinc Mine in Makedonska Kamenica.

  2. Study on the Operating Mechanism and Practice concerning Undergraduate Teaching Quality Assurance in the Chinese Agriculture-related Colleges and Universities

    OpenAIRE

    Shen, Zhongming

    2015-01-01

    This paper analyzes the connotation of the undergraduate teaching quality assurance system in agriculture-related colleges and universities, and takes Southwest University Rongchang Campus for example to probe into the long-term operating mechanism of multidimensional integrated quality assurance system as well as the sound teaching quality monitoring and management system building assurance system and operational practice effect involving personnel training programs, teaching element control...

  3. Research on Network Operations Mechanism of Asset Securitization in China%我国资产证券化网络运作机制研究

    Institute of Scientific and Technical Information of China (English)

    侯光明; 江燕; 孔德成; 张旭

    2014-01-01

    Based on network organization theory, this paper researched the network operations mechanism of asset securitization and reported the research status of transaction operation mechanism of asset securitization. Using inductive method and deductive method , we conducted literature research and field surveys and we reflected some issues that the operation mechanism of asset securitization in the transaction process was imperfect, risk sharing was unreasonable and excitation was inadequate and so on. Firstly, we scientifically defined connotation of network operating mechanism of asset securitization. Secondly, we constructed the model of network operations of asset securitization and analyzed organizational characteristics of network operations of asset securitization from two perspective of the network integrity and modules independence. Finally, we designed network operation mechanism of asset securitization, consisting of benefit distribution mechanisms、 risk-sharing mechanisms 、 regulatory guarantee mechanism and incentive and restraint mechanisms, in order to improve the operational efficiency of asset securitization.%文章基于网络组织理论,对资产证券化网络运作机制进行了研究,报告了资产证券化的交易运作机制的研究现状。通过采用归纳法和演绎法,进行了文献调研和实地调查,反映了资产证券化在交易过程中运作机制不完善、风险分担不合理以及激励不足等问题。文章首先科学界定资产证券化网络运作机制的内涵;其次,构建资产证券化网络运作模型,从网络整体性和模块独立性两个视角分析资产证券化网络运作组织特性;最后,设计资产证券化网路运作机制:利益分配机制、风险分担机制、监管担保机制以及激励约束机制,以提高资产证券化的运作效率。

  4. Control of mechanical stability of rock masses in the processes of construction and operation of underground radioactive waste storage facilities and underground NPPs

    International Nuclear Information System (INIS)

    It is proved that control of mechanical stability of geophysical medium is necessary for ensuring safe operation of underground radioactive waste storage facilities and NPPs. Method of relaxation control based on registration of microwave-type vibrations originating in a medium by release of elastic energy excess on its separate sections (relaxation of 'excess' stresses) is proposed as priority method for evaluation of mechanical stability of geophysical medium

  5. Study of the dynamics of the MoO2-Mo2C system for catalytic partial oxidation reactions

    Science.gov (United States)

    Cuba Torres, Christian Martin

    On a global scale, the energy demand is largely supplied by the combustion of non-renewable fossil fuels. However, their rapid depletion coupled with environmental and sustainability concerns are the main drivers to seek for alternative energetic strategies. To this end, the sustainable generation of hydrogen from renewable resources such as biodiesel would represent an attractive alternative solution to fossil fuels. Furthermore, hydrogen's lower environmental impact and greater independence from foreign control make it a strong contender for solving this global problem. Among a wide variety of methods for hydrogen production, the catalytic partial oxidation offers numerous advantages for compact and mobile fuel processing systems. For this reaction, the present work explores the versatility of the Mo--O--C catalytic system under different synthesis methods and reforming conditions using methyl oleate as a surrogate biodiesel. MoO2 exhibits good catalytic activity and exhibits high coke-resistance even under reforming conditions where long-chain oxygenated compounds are prone to form coke. Moreover, the lattice oxygen present in MoO2 promotes the Mars-Van Krevelen mechanism. Also, it is introduced a novel beta-Mo2C synthesis by the in-situ formation method that does not utilize external H2 inputs. Herein, the MoO 2/Mo2C system maintains high catalytic activity for partial oxidation while the lattice oxygen serves as a carbon buffer for preventing coke formation. This unique feature allows for longer operation reforming times despite slightly lower catalytic activity compared to the catalysts prepared by the traditional temperature-programmed reaction method. Moreover, it is demonstrated by a pulse reaction technique that during the phase transformation of MoO2 to beta-Mo2C, the formation of Mo metal as an intermediate is not responsible for the sintering of the material wrongly assumed by the temperature-programmed method.

  6. Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

    Directory of Open Access Journals (Sweden)

    Yongki Choi

    2011-12-01

    Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

  7. Catalytic and electrocatalytic oxidation of carbon monoxide on a Fe electrode in a solid electrolyte cell

    International Nuclear Information System (INIS)

    The catalytic oxidation of carbon monoxide on Fe catalyst was studied at 300-500C and atmospheric total pressure. The reaction was studied under both open- and closed-circuit operation in an yttria-stabilized zirconia solid electrolyte cell. The technique of Solid Electrolyte Potentiometry (SEP) was used to monitor the thermodynamic activity of oxygen adsorbed on the Fe electrode under open circuit. Kinetic and potentiometric measurements were combined in order to elucidate the reaction mechanism. The results are in agreement with a Langmuir-Hinselwood type of adsorption-reaction with two different adsorption sites for carbon monoxide and oxygen. Under closed circuit, the effect of electrochemical oxygen 'pumping' to the catalyst was examined. The operation of the cell was almost Faradaic as the rate enhancement factor (λ) values measured were close to unity

  8. Biofuel from fast pyrolysis and catalytic hydrodeoxygenation.

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, Douglas C.

    2015-09-04

    This review addresses recent developments in biomass fast pyrolysis bio-oil upgrading by catalytic hydrotreating. The research in the field has expanded dramatically in the past few years with numerous new research groups entering the field while existing efforts from others expand. The issues revolve around the catalyst formulation and operating conditions. Much work in batch reactor tests with precious metal catalysts needs further validation to verify long-term operability in continuous flow systems. The effect of the low level of sulfur in bio-oil needs more study to be better understood. Utilization of the upgraded bio-oil for feedstock to finished fuels is still in an early stage of understanding.

  9. Mechanics

    CERN Document Server

    Chester, W

    1979-01-01

    When I began to write this book, I originally had in mind the needs of university students in their first year. May aim was to keep the mathematics simple. No advanced techniques are used and there are no complicated applications. The emphasis is on an understanding of the basic ideas and problems which require expertise but do not contribute to this understanding are not discussed. How­ ever, the presentation is more sophisticated than might be considered appropri­ ate for someone with no previous knowledge of the subject so that, although it is developed from the beginning, some previous acquaintance with the elements of the subject would be an advantage. In addition, some familiarity with element­ ary calculus is assumed but not with the elementary theory of differential equations, although knowledge of the latter would again be an advantage. It is my opinion that mechanics is best introduced through the motion of a particle, with rigid body problems left until the subject is more fully developed. Howev...

  10. Final Report of a CRADA Between Pacific Northwest National Laboratory and the Ford Motor Company (CRADA No. PNNL/265): “Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials”

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Feng; Kwak, Ja Hun; Lee, Jong H.; Tran, Diana N.; Peden, Charles HF; Howden, Ken; Cheng, Yisun; Lupescu, Jason; Cavattaio, Giovanni; Lambert, Christine; McCabe, Robert W.

    2013-02-14

    Reducing NOx emissions and particulate matter (PM) are primary concerns for diesel vehicles required to meet current LEV II and future LEV III emission standards which require 90+% NOx conversion. Currently, urea SCR as the NOx reductant and a Catalyzed Diesel Particulate Filter (CDPF) are being used for emission control system components by Ford Motor Company for 2010 and beyond diesel vehicles. Because the use of this technology for vehicle applications is new, the relative lack of experience makes it especially challenging to satisfy durability requirements. Of particular concern is being able to realistically simulate actual field aging of the catalyst systems under laboratory conditions. This is necessary both as a rapid assessment tool for verifying improved performance and certifiability of new catalyst formulations, and to develop a good understanding of deactivation mechanisms that can be used to develop improved catalyst materials. In addition to NOx and PM, the hydrocarbon (HC) emission standards are expected to become much more stringent during the next few years. Meanwhile, the engine-out HC emissions are expected to increase and/or be more difficult to remove. Since HC can be removed only when the catalyst becomes warm enough for its oxidation, three-way catalyst (TWC) and diesel oxidation catalyst (DOC) formulations often contain proprietary zeolite materials to hold the HC produced during the cold start period until the catalyst reaches its operating temperature (e.g., >200°C). Unfortunately, much of trapped HC tends to be released before the catalyst reaches the operating temperature. Among materials effective for trapping HC during the catalyst warm-up period, siliceous zeolites are commonly used because of their high surface area and high stability under typical operating conditions. However, there has been little research on the physical properties of these materials related to the adsorption and release of various hydrocarbon species found in

  11. Catalytic activity of Au nanoparticles

    DEFF Research Database (Denmark)

    Larsen, Britt Hvolbæk; Janssens, Ton V.W.; Clausen, Bjerne;

    2007-01-01

    Au is usually viewed as an inert metal, but surprisingly it has been found that Au nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical reactions. We discuss the origin of this effect, focusing on the way in which the chemical activity of Au may change with par......Au is usually viewed as an inert metal, but surprisingly it has been found that Au nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical reactions. We discuss the origin of this effect, focusing on the way in which the chemical activity of Au may change...... with particle size. We find that the fraction of low-coordinated Au atoms scales approximately with the catalytic activity, suggesting that atoms on the corners and edges of Au nanoparticles are the active sites. This effect is explained using density functional calculations....

  12. 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.

  13. Metallocene Catalytic Insertion Polymerization of 1-Silene to Polycarbosilanes

    Science.gov (United States)

    Tian, Yuelong; Ge, Min; Zhang, Weigang; Lv, Xiaoxu; Yu, Shouquan

    2015-11-01

    Metallocene of zirconium were used as a catalyst for an insertion polymerization of 1-methylsilene directly into pre-ceramic precursor polyzirconocenecarbosilane (PZCS) during dechlorination of dichlorodimethylesilane by sodium, which exhibits high catalytic effectiveness with the maximum conversion ratio of polycarbosilane up to 91%. The average molecular weights of polymers synthesized are less than 1400, all with very narrow polymolecularities. The mechanism of catalytic polymerization was assumed to be similar to a coordination insertion polymerization of 1-olefins by metallocenes. The obtained PZCS show high ceramic yields with formation of composite ceramics of ZrC-SiC, which are novel polymeric precursors of ultra-high temperature ceramic (UHTC) fiber and composite.

  14. Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening?

    DEFF Research Database (Denmark)

    Hansen, Thomas Willum; DeLaRiva, Andrew T.; Challa, Sivakumar R.;

    2013-01-01

    deactivation, is an important mechanism for the loss of catalyst activity. This is especially true for high temperature catalytic processes, such as steam reforming, automotive exhaust treatment, or catalytic combustion. With dwindling supplies of precious metals and increasing demand, fundamental...... process causing the growth of nanoparticle size. Consequently, this leads to the loss of surface area and activity. While particle migration could be controlled through suitable structuring of catalyst supports, it is more difficult to control the mobility of atomically dispersed species. These insights...

  15. Fundamental studies of the mechanism of catalytic reactions with catalysts effective in the gasification of carbon solids and the oxidative coupling of methane. Quarterly report, October 1--December 31, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, H.; Somorjai, G.A.; Perry, D.L.

    1992-12-01

    Work on catalytic steam gasification with chars and coals will be extended from atmospheric to elevated pressures using the newly built pressure unit. The novel finding that coking of petroleum in the presence of small amounts of caustic greatly improves the gasification rates and characteristics of the coke will be extended to chars; in the oxidative coupling of methane over ternary catalysts, emphasis will be placed on low temperature coupling and on the oxidative production of syngas from methane at low temperature. Experimental work will continue on the synthesis of the mixed catalyst, and they will be characterized by a number of techniques, including elemental analyses, x-ray diffraction, and surface area determination.

  16. Fuel Flexible, Low Emission Catalytic Combustor for Opportunity Fuel Applications

    Energy Technology Data Exchange (ETDEWEB)

    Eteman, Shahrokh

    2013-06-30

    Limited fuel resources, increasing energy demand and stringent emission regulations are drivers to evaluate process off-gases or process waste streams as fuels for power generation. Often these process waste streams have low energy content and/or highly reactive components. Operability of low energy content fuels in gas turbines leads to issues such as unstable and incomplete combustion. On the other hand, fuels containing higher-order hydrocarbons lead to flashback and auto-ignition issues. Due to above reasons, these fuels cannot be used directly without modifications or efficiency penalties in gas turbine engines. To enable the use of these wide variety of fuels in gas turbine engines a rich catalytic lean burn (RCL®) combustion system was developed and tested in a subscale high pressure (10 atm.) rig. The RCL® injector provided stability and extended turndown to low Btu fuels due to catalytic pre-reaction. Previous work has shown promise with fuels such as blast furnace gas (BFG) with LHV of 85 Btu/ft3 successfully combusted. This program extends on this work by further modifying the combustor to achieve greater catalytic stability enhancement. Fuels containing low energy content such as weak natural gas with a Lower Heating Value (LHV) of 6.5 MJ/m3 (180 Btu/ft3 to natural gas fuels containing higher hydrocarbon (e.g ethane) with LHV of 37.6 MJ/m3 (1010 Btu/ft3) were demonstrated with improved combustion stability; an extended turndown (defined as the difference between catalytic and non-catalytic lean blow out) of greater than 250oF was achieved with CO and NOx emissions lower than 5 ppm corrected to 15% O2. In addition, for highly reactive fuels the catalytic region preferentially pre-reacted the higher order hydrocarbons with no events of flashback or auto-ignition allowing a stable and safe operation with low NOx and CO emissions.

  17. Key parameters when developing carbonaceous materials for catalytic wet peroxide oxidation

    OpenAIRE

    Ribeiro, Rui; Silva, Adrián; Pastrana-Martínez, Luisa; Figueiredo, José; Faria, Joaquim; Gomes, Helder

    2014-01-01

    Catalytic wet peroxide oxidation (CWPO) is an advanced oxidation process, operated using simple equipment and mild operating conditians, in which highly oxidizing hydraxyl radicaIs (HO') are generated fram the catalytic decompasition af hydrogen peroxide (H,O,) [L 2). Sinee the report of Lüeking el ai. in 1998 [3], the develapment af suitab-Ie -carbonaceous materials (without any added metal phase) for CWPO has been intensively explored [4). lhe influenee of struetUfal and surr...

  18. Development of integrated, zero-G pneumatic transporter/rotating paddle incinerator/catalytic afterburner subsystem for processing human wastes on board spacecraft

    Science.gov (United States)

    Fields, S. F.; Labak, L. J.; Honegger, R. J.

    1974-01-01

    A four component system was developed which consists of a particle size reduction mechanism, a pneumatic waste transport system, a rotating-paddle incinerator, and a catalytic afterburner to be integrated into a six-man, zero-g subsystem for processing human wastes on board spacecraft. The study included the development of different concepts or functions, the establishment of operational specifications, and a critical evaluation for each of the four components. A series of laboratory tests was run, and a baseline subsystem design was established. An operational specification was also written in preparation for detailed design and testing of this baseline subsystem.

  19. Hydrophobic catalysts for liquid phase catalytic exchange: a review of preparation methods and influencing factors of catalytic activities

    International Nuclear Information System (INIS)

    Liquid phase catalytic exchange (LPCE) between liquid water and gaseous hydro- gen has been developed for various applications, such as tritium recovery, water upgrade and heavy-water production. Good wetproofing properties of the hydrophobic catalysts can make the reaction to proceed smoothly. In this article, the preparation methods of the hydrophobic catalysts and the factors affecting the catalytic activities are reviewed. In particular, progress on the hydrophobic Pt/C/inert carrier catalysts is introduced, including the selection of inert carrier and active metal carrier, and the preparation methods of carbon- supported Pt based catalysts. Basic research activities on controllable fabrication of hydro- phobic catalysts are discussed, including the LPCE reaction mechanism, and the relation between the microstructure of active metal and the catalytic activity, etc. Finally, questions remaining to be answered and future directions in the field of hydrophobic catalysts are discussed. (authors)

  20. Catalytic properties of niobium compounds

    International Nuclear Information System (INIS)

    The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author)

  1. Catalytic combustion of actual low and medium heating value gases

    Science.gov (United States)

    Bulzan, D. L.

    1982-01-01

    Catalytic combustion of both low and medium heating value gases using actual coal derived gases obtained from operating gasifiers was demonstrated. A fixed bed gasifier with a complete product gas cleanup system was operated in an air blown mode to produce low heating value gas. A fluidized bed gasifier with a water quench product gas cleanup system was operated in both an air enriched and an oxygen blown mode to produce low and medium, heating value gas. Noble metal catalytic reactors were evaluated in 12 cm flow diameter test rigs on both low and medium heating value gases. Combustion efficiencies greater than 99.5% were obtained with all coal derived gaseous fuels. The NOx emissions ranged from 0.2 to 4 g NO2 kg fuel.

  2. Study of catalytic phenomena in radiation chemistry

    International Nuclear Information System (INIS)

    Two phenomena have been studied: the action of γ rays from radio-cobalt on the adsorption and catalytic properties of ZnO and NiO in. relationship with the heterogeneous oxidation of CO, and the homogeneous catalysis by OsO4 of the oxidation of various aqueous phase solutes by the same radiation. The prior irradiation of ZnO and of NiO does not modify their catalytic activity but generally increases the adsorption energy of -the gases CO and O2. The influence of the radiations appears to be connected with the presence of traces of water on ZnO and of an excess of oxygen on NiO. Osmium tetroxide which is not degraded by irradiation in acid solution, accelerates the radiolytic oxidation of certain compounds (TeIV, Pt11, As111) in the presence of oxygen, as a result of its sensitizing effect on the oxidation by H2O2. In the case of phosphites on the other hand, OsO4 has a protecting action under certain conditions of acidity and may suppress entirely the chain reaction which characterizes the oxidation of this solute byγ rays. A general mechanism is proposed for these phenomena. The rate constant for the OsO4 + HO2 reaction is calculated to be 5.7 x 105 l.mol-1. sec-1. (author)

  3. Thermal vacuum real-life test of an Marconi Space and Defence Systems (MSDS) solar-array drive mechanism (MSDS 002). First four years of operation

    Science.gov (United States)

    Parker, K.; Douglas, A.; Burke, W. R.

    1981-01-01

    The first part of a 7 yr life test on a mechanism which turns a satellite solar array at 1rev/day is reported. A thermal transfer shroud, surrounding the mechanism in a vacuum chamber, is held at a constant temperature of 22.5 C while the shaft temperature, measured near the top of the shaft at the large bearing, is changed at 6-monthly intervals so that it operates alternately at 60 and 10 C. At the beginning of each 6-monthly cycle, 30 eclipse simulations are performed, i.e., the shaft temperature is reduced from 60 C to 0 C in 72 min and is returned to 60 C in as short a time as possible. Apart from a very small increase in motor power during eclipse simulation, no changes in the mechanism parameters occur with temperature. The mechanism operates within motor power and angular rotation accuracy specifications. The electrical noise on all slip rings increased during the first two years, but then slowly decreased. Certain slip ring pairs show a noise level in excess of the arbitrary limits set at the start of the test, and two slip ring pairs give large periodic noise transients which may be due to mechanical damage to the slip rings or brushes.

  4. Smoke emissions from a catalytic wood stove

    International Nuclear Information System (INIS)

    The work reported here was concerned with testing a catalytic wood burning stove (roomheater) following the most applicable UK procedures. The identical stove has also been tested in several other nations to their individual procedures. The results will be submitted to the International Energy Agency (IEA) such that appropriate comparisons can be made. The results comprised: burning rate; an indicative appliance efficiency; heat output; carbon dioxide emissions; carbon monoxide emissions; and smoke emissions. These results were determined with the appliance at three nominal burning rates (high, medium and low). Comparing the results with those obtained in other countries indicates good agreement except when the appliance was operated at low burning rates, under which conditions the UK results indicate significantly worse smoke emissions than those measured by other researchers. (author)

  5. Homogeneous and single-side-operational connector mechanism for self-reconfigurable, self-assembly and self-healing systems

    Science.gov (United States)

    Shen, Wei-Min (Inventor); Kovac, Robert M. (Inventor)

    2012-01-01

    Designs of single-end-operative reconfigurable genderless connectors that include a base, a plurality of movable jaws that are formed on the base and can engage to the jaws of another connector, and an actuator that is mounted on the base and can engage and move the jaws of the reconfigurable connector to connect the reconfigurable connector with another connector.

  6. Measurement of mechanical properties of a reactor operated Zr–2.5Nb pressure tube using an in situ cyclic ball indentation system

    International Nuclear Information System (INIS)

    Highlights: • Measurement of mechanical properties of pressure tube is required for its fitness assessment. • Pressure tube removal from the core consumes large amount of radiation for laboratory test. • A remotely operable In situProperty Measurement System has been designed in house. • The tool head is capable to carry out in situ ball indentation trials inside pressure tube. • The paper describes the theory and results of the trials conducted on irradiated pressure tube. - Abstract: Periodic measurement of mechanical properties of pressure tubes of Indian Pressurised Heavy Water Reactors is required for assessment of their fitness for continued operation. Removal of pressure tube from the core for preparation of specimens to test for mechanical properties in laboratories consumes large amounts of radiation and hence is to be avoided as far as possible. In the field of in situ estimation of properties of materials, cyclic ball indentation is an emerging technique. Presently, commercial systems are available for doing indentation test either on outside surface of a component at site or on a test piece in a laboratory. However, these systems cannot be used inside a pressure tube for carrying out ball indentation trials under in situ condition. Considering this, a remotely operable hydraulic In situProperty Measurement System (IProMS) based on cyclic ball indentation technique has been designed and developed in house. The tool head of IProMS can be located inside a pressure tube at any axial location under in situ condition and the properties can be estimated from an analysis of the data on load and depth of indentation, recorded during the test. In order to qualify the system, a number of experimental trials have been conducted on spool pieces and specimens prepared from Zr–2.5Nb pressure tube having different mechanical properties. Based on the encouraging results obtained from the qualification trials, IProMS has been used inside a reactor operated

  7. Measurement of mechanical properties of a reactor operated Zr–2.5Nb pressure tube using an in situ cyclic ball indentation system

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, S., E-mail: subrata@barc.gov.in; Panwar, Sanjay; Madhusoodanan, K.

    2015-07-15

    Highlights: • Measurement of mechanical properties of pressure tube is required for its fitness assessment. • Pressure tube removal from the core consumes large amount of radiation for laboratory test. • A remotely operable In situProperty Measurement System has been designed in house. • The tool head is capable to carry out in situ ball indentation trials inside pressure tube. • The paper describes the theory and results of the trials conducted on irradiated pressure tube. - Abstract: Periodic measurement of mechanical properties of pressure tubes of Indian Pressurised Heavy Water Reactors is required for assessment of their fitness for continued operation. Removal of pressure tube from the core for preparation of specimens to test for mechanical properties in laboratories consumes large amounts of radiation and hence is to be avoided as far as possible. In the field of in situ estimation of properties of materials, cyclic ball indentation is an emerging technique. Presently, commercial systems are available for doing indentation test either on outside surface of a component at site or on a test piece in a laboratory. However, these systems cannot be used inside a pressure tube for carrying out ball indentation trials under in situ condition. Considering this, a remotely operable hydraulic In situProperty Measurement System (IProMS) based on cyclic ball indentation technique has been designed and developed in house. The tool head of IProMS can be located inside a pressure tube at any axial location under in situ condition and the properties can be estimated from an analysis of the data on load and depth of indentation, recorded during the test. In order to qualify the system, a number of experimental trials have been conducted on spool pieces and specimens prepared from Zr–2.5Nb pressure tube having different mechanical properties. Based on the encouraging results obtained from the qualification trials, IProMS has been used inside a reactor operated

  8. Catalytic Fast Pyrolysis: A Review

    Directory of Open Access Journals (Sweden)

    Theodore Dickerson

    2013-01-01

    Full Text Available Catalytic pyrolysis is a promising thermochemical conversion route for lignocellulosic biomass that produces chemicals and fuels compatible with current, petrochemical infrastructure. Catalytic modifications to pyrolysis bio-oils are geared towards the elimination and substitution of oxygen and oxygen-containing functionalities in addition to increasing the hydrogen to carbon ratio of the final products. Recent progress has focused on both hydrodeoxygenation and hydrogenation of bio-oil using a variety of metal catalysts and the production of aromatics from bio-oil using cracking zeolites. Research is currently focused on developing multi-functional catalysts used in situ that benefit from the advantages of both hydrodeoxygenation and zeolite cracking. Development of robust, highly selective catalysts will help achieve the goal of producing drop-in fuels and petrochemical commodities from wood and other lignocellulosic biomass streams. The current paper will examine these developments by means of a review of existing literature.

  9. Industrial Gas Turbine Engine Catalytic Pilot Combustor-Prototype Testing

    Energy Technology Data Exchange (ETDEWEB)

    Etemad, Shahrokh [Precision Combustion, Inc., North Haven, CT (United States); Baird, Benjamin [Precision Combustion, Inc., North Haven, CT (United States); Alavandi, Sandeep [Precision Combustion, Inc., North Haven, CT (United States); Pfefferle, William [Precision Combustion, Inc., North Haven, CT (United States)

    2010-04-01

    PCI has developed and demonstrated its Rich Catalytic Lean-burn (RCL®) technology for industrial and utility gas turbines to meet DOE's goals of low single digit emissions. The technology offers stable combustion with extended turndown allowing ultra-low emissions without the cost of exhaust after-treatment and further increasing overall efficiency (avoidance of after-treatment losses). The objective of the work was to develop and demonstrate emission benefits of the catalytic technology to meet strict emissions regulations. Two different applications of the RCL® concept were demonstrated: RCL® catalytic pilot and Full RCL®. The RCL® catalytic pilot was designed to replace the existing pilot (a typical source of high NOx production) in the existing Dry Low NOx (DLN) injector, providing benefit of catalytic combustion while minimizing engine modification. This report discusses the development and single injector and engine testing of a set of T70 injectors equipped with RCL® pilots for natural gas applications. The overall (catalytic pilot plus main injector) program NOx target of less than 5 ppm (corrected to 15% oxygen) was achieved in the T70 engine for the complete set of conditions with engine CO emissions less than 10 ppm. Combustor acoustics were low (at or below 0.1 psi RMS) during testing. The RCL® catalytic pilot supported engine startup and shutdown process without major modification of existing engine controls. During high pressure testing, the catalytic pilot showed no incidence of flashback or autoignition while operating over a wide range of flame temperatures. In applications where lower NOx production is required (i.e. less than 3 ppm), in parallel, a Full RCL® combustor was developed that replaces the existing DLN injector providing potential for maximum emissions reduction. This concept was tested at industrial gas turbine conditions in a Solar Turbines, Incorporated high-pressure (17 atm.) combustion rig and in a modified Solar

  10. PREPARATION AND CATALYTIC ACTIVITY MECHANISM OF NANO-TiO2/C COMPOSITES%纳米TiO2/C复合材料制备及其催化活性机理

    Institute of Scientific and Technical Information of China (English)

    周武艺; 张世英; 唐绍裘

    2007-01-01

    用X射线衍射、透射电镜、紫外-可见光漫反射光谱等表征手段研究了纳米TiO2/C光催化剂的晶体结构和性能.结果表明:碳黑改性促使TiO2在较低温度(<500 ℃)发生由锐钛矿相向金红石相转变,并有效抑制了纳米TiO2晶粒长大,经400 ℃热处理后,TiO2晶粒尺寸为7.3 nm.由于纳米碳黑弥散分布于纳米TiO2颗粒中,提高了该催化剂对亚甲基蓝分子的吸附性能.通过碳黑粒子的光敏化作用提高纳米TiO2的可见光光催化性能,加入5%(质量分数)纳米碳黑的TiO2/C光催化剂在400 ℃热处理后对亚甲基蓝降解率可达到93%.过多的碳黑会因其阻碍纳米TiO2与有机物接触而降低其降解效果,而过少的碳黑则会降低纳米碳黑对催化剂的敏化作用而降低其催化活性.%Nano-TiO2/C composites were prepared and characterized by X-ray diffraction, transmission electron microscopy and ultraviolet-visible light diffusion reflectance spectroscopy. The results show that nano-carbon black (NCB) improved the transformation of TiO2 from anatase to rutile at the low temperature (<500 ℃) and restrained the growth of TiO2 crystals. Nano-TiO2 crystals of about 7.3 nm were obtained after heat treated at 400 ℃. NCB particles was dispersed on the TiO2particles and improved the adsorption property on methylene blue of the catalysts. The visible light photocatalytic activity of the catalysts was promoted by the photo-sensitization of NCB. The degradation rate of methylene blue reaches 93% as the nano-TiO2 modificated with 5% (in mass)NCB treated at the 400 ℃ for 4 h. However, more NCB decreased the catalytic activity due to the lower contact probability between the nano-TiO2 particles and methylene blue molecules. On the contrary, the insufficient NCB adding also decreased the catalytic activity of the catalysts for the lower photo-sensitization.

  11. Combined catalytic converter and afterburner

    Energy Technology Data Exchange (ETDEWEB)

    Ma, T.T.-H.

    1994-11-30

    This patent describes the combined use of a catalytic converter and afterburner. An afterburner chamber and a catalyst matrix are disposed in series within a casing. A combustible premixed charge is ignited in the afterburner chamber before it enters the catalyst matrix. This invention overcomes the problem encountered in previous designs of some of the premixed charge passing unreacted through the device unless a very long afterburner chamber is used. (UK)

  12. Investigations for designing catalytic recombiners

    International Nuclear Information System (INIS)

    In case of a severe accident in pressurised water reactors (PWR) a high amount of hydrogen up to about 20,000 m3 might be generated and released into the containments. The mixture consisting of hydrogen and oxygen may either burn or detonate, if ignited. In case of detonation the generated shock wave may endanger the components of the plant or the plant itself. Consequently, effective removal of hydrogen is required. The fact that hydrogen and oxygen react exo-thermally on catalytically acting surfaces already at low temperatures generating steam and heat is made use of in catalytic recombiners. They consist of substrates coated with catalyst (mainly platinum or palladium) which are arranged inside a casing. Being passively acting measures, recombiners do not need any additional energy supply. Experimental investigations on catalytic hydrogen recombination are conducted at FZJ (Forschungszentrum Juelich) using three test facilities. The results yield insight in the development potential of contemporary recombiner systems as well as of innovative systems. Detailed investigations on a recombiner section show strong temperature gradients over the surface of a catalytically coated sample. Dependent on the flow velocity, ignition temperature may be reached at the leading edge already at an inlet hydrogen concentration of about 5 vol.-%. The thermal strain of the substrate leads to considerable detachment of catalyst particles probably causing unintended ignition of the flammable mixture. Temperature peaks can be prevented effectively by leaving the first part of the plate uncoated. In order to avoid overheating of the catalyst elements of a recombiner even at high hydrogen concentrations a modular system of porous substrates is proposed. The metallic substrates are coated with platinum at low catalyst densities thus limiting the activity of the single specimen. A modular arrangement of these elements provides high recombination rates over a large hydrogen concentration

  13. Upgrading the lubricity of bio-oil via homogeneous catalytic esterification under vacuum distillation conditions

    International Nuclear Information System (INIS)

    In order to accelerate the application of bio-oil in the internal combustion engines, homogeneous catalytic esterification technology under vacuum distillation conditions was used to upgrade the crude bio-oil. The lubricities of the crude bio-oil (BO) and refined bio-oil with homogeneous catalytic esterification (RBOhce) or refined bio-oil without catalyst but with distillation operation (RBOwc) were evaluated by a high frequency reciprocating test rig according to the ASTM D 6079 standard. The basic physiochemical properties and components of the bio-oils were analyzed. The surface morphology, contents and chemical valence of active elements on the worn surfaces were investigated by scanning electron microscopy, energy dispersive spectroscopy and X-ray photoelectron spectroscopy, respectively. The results show that RBOhce has better lubricities than those of BO, but RBOwc has worse lubricities than those of BO. The tribological mechanisms of the bio-oils are attributed to the combined actions of lubricating films and factors that will break the film. Compared with BO, plenty of phenols in RBOwc results in corrosion of the substrate and destroys the integrity of the lubricating films, which is responsible for its corrosive wear. However, more esters and alkanes in RBOhce contribute to forming a complete boundary lubricating film on the rubbed surfaces which result in its excellent antifriction and antiwear properties. - Highlights: • Refined bio-oil was prepared through homogeneous catalytic esterification technology. • Properties of the bio-oils before and after refining were assessed by HFRR. • Refined bio-oil showed better lubricities than crude bio-oil. • More esters and alkanes in refined bio-oil contributed to forming superior boundary lubrication

  14. Modeling of the cold work stress relieved Zircaloy-4 cladding tubes mechanical behavior under PWR operating conditions

    International Nuclear Information System (INIS)

    This paper proposes a damaged viscoplastic model to simulate, for different isotherms (320, 350, 380, 400 and 420 degC), the out-of-flux anisotropic mechanical behavior of cold work stress relieved Zircaloy-4 cladding tubes over the fluence range 0-85.1024 nm-2 (E > 1 MeV). The model, identified from uni and biaxial tests conducted at 350 and 400 degC, is validated from tests performed at 320, 380 and 420 degC. This model is able to simulate strain hardening under internal pressure followed by a stress relaxation period (thermal creep), which is representative of a pellet cladding mechanical interaction occurring during a power transient (class 2 incidental condition). Both the integration of a scalar state variable, characterizing the damage caused by a bombardment with neutrons, and the modification of the static recovery law allowed us to simulate the fast neutron flux effect (irradiation creep). (author)

  15. Inducible operation of the erythropoietin 3' enhancer in multiple cell lines: evidence for a widespread oxygen-sensing mechanism.

    OpenAIRE

    Maxwell, P H; Pugh, C. W.; Ratcliffe, P. J.

    1993-01-01

    Adaptive responses to hypoxia occur in many biological systems. A well-characterized example is the hypoxic induction of the synthesis of erythropoietin, a hormone which regulates erythropoiesis and hence blood oxygen content. The restricted expression of the erythropoietin gene in subsets of cells within kidney and liver has suggested that this specific oxygen-sensing mechanism is restricted to specialized cells in those organs. Using transient transfection of reporter genes coupled to a tra...

  16. Spontaneous emission and the operation of invisibility cloaks: Can the invisibility cloaks render objects invisible in quantum mechanic domain?

    OpenAIRE

    Behbahani, Mina Morshed; Amooghorban, Ehsan; Mahdifar, Ali

    2016-01-01

    As a probe to explore the ability of invisibility cloaks to conceal objects in the quantum mechanics domain, we study the spontaneous emission rate of an excited two-level atom in the vicinity of an ideal invisibility cloaking. On this base, first, a canonical quantization scheme is presented for the electromagnetic field interacting with atomic systems in an anisotropic, inhomogeneous and absorbing magnetodielectric medium which can suitably be used for studying the influence of arbitrary in...

  17. Study of Seven-Lump Kinetic Model in the Fluid Catalytic Cracking Unit

    Directory of Open Access Journals (Sweden)

    Mehran Heydari

    2010-01-01

    Full Text Available Problem statement: The effective simulation of the Fluid Catalytic Cracking (FCC operation requires a good understanding of many factors such as, reaction kinetic, fluid dynamics and feed and catalyst effects. Approach: In this model the reactor has been considered as an isothermal riser. The reactions in the riser occur with the fluid and the solids in ideal plug flow. Because of complication of the catalytic cracking mechanism and existence of multi-components in the feed, to decrease the calculation content in the kinetic models, the reactants and products have been considered as a set of hydrocarbons, so these models are called Lumped Models. Results: To simulate the FCC riser, the seven-lump model involved residual oil, heavy lump, light lump, liquefied petroleum gas, gasoline, dry gas and coke (to predict the feed conversion and the product distribution has been developed. Conclusion: Simulation studies are performed to investigate the effect of changing various process variables, such as temperature and residence time. Comparison of simulation results with industrial ones shows that the simulation has been achieved accurately.

  18. Catalytic combustion in gas stoves - Phase II

    Energy Technology Data Exchange (ETDEWEB)

    Hjelm, Anna-Karin [CATATOR AB, Lund (Sweden)

    2003-06-01

    . To overcome the latter, improved aeration of the system is needed, e.g. modification of nozzle-size and/or flame port plate. The effects of installing a retro-fit catalytic design onto the burner in the gas oven were also examined. Similar to the burners of the cooking plates, the emitted NO{sub x} was greatly reduced, i.e. up to 90 %. Other on-going projects using similar catalyst concepts as in this study have shown that the life-time of the catalyst, i.e. the mechanical stability and the catalytic activity, is extremely good (> 1000 h). To examine if this durability of the catalyst is limited in this specific application by deactivation caused by possible food spillage, a number of commonly used food ingredients were painted onto the catalysts and the activity of the catalyst prior to and after the 'deactivation' was investigated. The results show that no ingredients of organic type (fat, milk, egg, sugar) have any significant impact on the catalytic activity. Salt however was seen to block active reaction sites of the catalyst, but the tests showed that the catalyst could in this case be easily re-activated by simply washing it in water. The design modifications are very modest and the amount of catalyst is small, costing about 6-10 SEK (0.80-1.2 USD) per cooking plate.

  19. Robotic Materials Handling in Space: Mechanical Design of the Robot Operated Materials Processing System HitchHiker Experiment

    Science.gov (United States)

    Voellmer, George

    1997-01-01

    The Goddard Space Flight Center has developed the Robot Operated Materials Processing System (ROMPS) that flew aboard STS-64 in September, 1994. The ROMPS robot transported pallets containing wafers of different materials from their storage racks to a furnace for thermal processing. A system of tapered guides and compliant springs was designed to deal with the potential misalignments. The robot and all the sample pallets were locked down for launch and landing. The design of the passive lockdown system, and the interplay between it and the alignment system are presented.

  20. Building new catalytic sensors with plasma nanostructuring of metals

    International Nuclear Information System (INIS)

    Today, plasma nanostructuring of materials plays important role in improvement of different sensors including catalytic, by expanding the limits of operation in various directions. Herein a review of catalytic sensors based on metal-oxide layer for measuring the concentration of atom radicals of parent molecules is presented. Catalytic sensors are small pieces of suitable materials allowing for in-situ determination of the atom concentration. Oxygen atoms are detected using materials that form oxide films with moderate or high binding energy such as nickel and niobium oxides. Best sensitivity for oxygen atoms is obtained using catalytic sensors with nanostructured surface, more precisely metal-oxide nanowire surfaces. In any case, the sensing capacity depends on the probability for heterogeneous surface recombination of atoms to stable molecules. The sensors measure the atom densities in a broad range from roughly 1013 to 1016 cm-3, i.e. the ranges commonly found in material processing. Whereas new nanostructured surfaces expand the measurement detection range as well as add very interesting features to sensors, such as capacity to overcome radical overloads and temperature stresses. Several examples of application are presented and discussed. (author)

  1. Self-validated calculation of characteristics of a Francis turbine and the mechanism of the S-shape operational instability

    Science.gov (United States)

    Zhang, Z.; Titzschkau, M.

    2012-11-01

    A calculation method has been presented to accurately estimate the characteristics of a Francis turbine. Both the shock loss at the impeller inlet and the swirling flow loss at the Impeller exit have been confirmed to dominantly influence the turbine characteristics and particularly the hydraulic efficiency. Both together totally govern the through flow of water through the impeller being at the rest. Calculations have been performed for the flow rate, the shaft torque and the hydraulic efficiency and compared with the available measurements on a model turbine. Excellent agreements have been achieved. Some other interesting properties of the turbine characteristics could also be derived from the calculations and verified by experiments. For this reason and because of not using any unreliable assumptions the calculation method has been confirmed to be self-validated. The operational instability in the upper range of the rotational speed, known as the S-shape instability, is ascribed to the total flow separation and stagnation at the impeller inlet. In that range of the rotational speed, the operation of the Francis turbine oscillates between pump and turbine mode.

  2. Challenges in Mechanization Efforts of Small Diameter Eucalyptus Harvesting Operations with a Low Capacity Running Skyline Yarder in Southern China

    Directory of Open Access Journals (Sweden)

    Stephan Hoffmann

    2015-08-01

    Full Text Available This case study examines the performance of the Igland Hauler employed in small diameter Eucalyptus clear-cut operations in Guangxi, China. A yarding crew of eight persons was monitored by a snap back elemental time study for 19.23 SMH (scheduled machine hours, with 159 yarding cycles and a yarded log volume at landing of 49.4 m³ solid over bark. A gross-productivity of 2.50 m³/SMH and net-productivity of 5.06 m³/PMH0 (productive machine hours excluding delay times was achieved, leading to a machine utilization rate of 49.5%. The costs of the yarder and associated overhead as well as the personnel costs of a large crew with eight people sum up to extraction costs of 50.24 USD/m³. The high costs make it difficult to compete economically with the locally common manual extraction system as long as abundant labor at a low hourly rate is available in the region. Further performance improvement through skill development, but also technical and organizational system modification in conjunction with rising wages and decreasing labor force in rural primary production will determine the justification of employing such yarding systems. However, new silvicultural regimes with extended rotations and supply requirements of the forest products industry in China demand new operational systems.

  3. Operating and impact of the compensation mechanism of the electric utility charges on the energy offer in non connected areas

    International Nuclear Information System (INIS)

    Since the law of the 10 february 2000 relative to the modernization and the development of the electric utility, the France adopted a mechanism aiming to compensate the costs subjected by EDF and other suppliers providing a public utility mission in the domain of the electricity production and distribution. This document takes stock on the organization, the evaluation and the economical and environmental consequences of the implementing of a compensation system of costs bond to the electricity production in non connected areas. (A.L.B.)

  4. Catalytic hot gas cleaning of gasification gas

    Energy Technology Data Exchange (ETDEWEB)

    Simell, P. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1997-12-31

    The aim of this work was to study the catalytic cleaning of gasification gas from tars and ammonia. In addition, factors influencing catalytic activity in industrial applications were studied, as well as the effects of different operation conditions and limits. Also the catalytic reactions of tar and ammonia with gasification gas components were studied. The activities of different catalyst materials were measured with laboratory-scale reactors fed by slip streams taken from updraft and fluid bed gasifiers. Carbonate rocks and nickel catalysts proved to be active tar decomposing catalysts. Ammonia decomposition was in turn facilitated by nickel catalysts and iron materials like iron sinter and iron dolomite. Temperatures over 850 deg C were required at 2000{sup -1} space velocity at ambient pressure to achieve almost complete conversions. During catalytic reactions H{sub 2} and CO were formed and H{sub 2}O was consumed in addition to decomposing hydrocarbons and ammonia. Equilibrium gas composition was almost achieved with nickel catalysts at 900 deg C. No deactivation by H{sub 2}S or carbon took place in these conditions. Catalyst blocking by particulates was avoided by using a monolith type of catalyst. The apparent first order kinetic parameters were determined for the most active materials. The activities of dolomite, nickel catalyst and reference materials were measured in different gas atmospheres using laboratory apparatus. This consisted of nitrogen carrier, toluene as tar model compound, ammonia and one of the components H{sub 2}, H{sub 2}O, CO, CO{sub 2}, CO{sub 2}+H{sub 2}O or CO+CO{sub 2}. Also synthetic gasification gas was used. With the dolomite and nickel catalyst the highest toluene decomposition rates were measured with CO{sub 2} and H{sub 2}O. In gasification gas, however, the rate was retarded due to inhibition by reaction products (CO, H{sub 2}, CO{sub 2}). Tar decomposition over dolomite was modelled by benzene reactions with CO{sub 2}, H

  5. Gold-Copper Nanoparticles: Nanostructural Evolution and Bifunctional Catalytic Sites

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Jun; Shan, Shiyao; Yang, Lefu; Mott, Derrick; Malis, Oana; Petkov, Valeri; Cai, Fan; Ng, Mei; Luo, Jin; Chen, Bing H.; Engelhard, Mark H.; Zhong, Chuan-Jian

    2012-12-12

    Understanding of the atomic-scale structure is essential for exploiting the unique catalytic properties of any nanoalloy catalyst. This report describes novel findings of an investigation of the nanoscale alloying of gold-copper (AuCu) nanoparticles and its impact on the surface catalytic functions. Two pathways have been explored for the formation of AuCu nanoparticles of different compositons, including wet chemical synthesis from mixed Au- and Cu-precursor molecules, and nanoscale alloying via an evolution of mixed Au- and Cu-precursor nanoparticles near the nanoscale melting temperatures. For the evolution of mixed precursor nanoparticles, synchrotron x-ray based in-situ real time XRD was used to monitor the structural changes, revealing nanoscale alloying and reshaping towards an fcc-type nanoalloy (particle or cube) via a partial melting–resolidification mechanism. The nanoalloys supported on carbon or silica were characterized by in-situ high-energy XRD/PDFs, revealing an intriguing lattice "expanding-shrinking" phenomenon depending on whether the catalyst is thermochemically processed under oxidative or reductive atmosphere. This type of controllable structural changes is found to play an important role in determining the catalytic activity of the catalysts for carbon monoxide oxidation reaction. The tunable catalytic activities of the nanoalloys under thermochemically oxidative and reductive atmospheres are also discussed in terms of the bifunctional sites and the surface oxygenated metal species for carbon monoxide and oxygen activation.

  6. Catalytic fluorination s: the synthesis of hydro fluorocarbon (HFCs)

    International Nuclear Information System (INIS)

    Catalytic processes in the fluorine chemistry are developed for example in the selective preparation of substitutes of chlorofluorocarbons, such as the hydro-fluorocarbon CF3CH2F used as a refrigeration agent to replace the CF2CICCIF2. A better understanding of the catalyst and of the various mechanisms involved is required in order to increase the selectivity towards the wanted fluorinated products. (authors)

  7. Effects of Gas Velocity and Temperature on Nitric Oxide Conversion in Simulated Catalytic Converter

    OpenAIRE

    Sathaporn Chuepeng

    2012-01-01

    Problem statement: Gaseous emissions from gasoline engine such as carbon monoxide, unburned hydrocarbon and nitrogen oxides were usually reduced in three-way catalytic converter simultaneously around theoretical fuel and air combustion. Engine speed and load and other parameters were varied over a wide range of operating conditions, resulting in different exhaust gas composition and condition intake into catalytic converter. This work was studied the conversion of Nitric Oxide (NO) in exhaust...

  8. Mechanical ventilation and the total artificial heart: optimal ventilator trigger to avoid post-operative autocycling - a case series and literature review

    Directory of Open Access Journals (Sweden)

    Arabia Francisco A

    2010-05-01

    Full Text Available Abstract Many patients with end-stage cardiomyopathy are now being implanted with Total Artificial Hearts (TAHs. We have observed individual cases of post-operative mechanical ventilator autocycling with a flow trigger, and subsequent loss of autocycling after switching to a pressure trigger. These observations prompted us to do a retrospective review of all TAH devices placed at our institution between August 2007 and May 2009. We found that in the immediate post-operative period following TAH placement, autocycling was present in 50% (5/10 of cases. There was immediate cessation of autocycling in all patients after being changed from a flow trigger of 2 L/minute to a pressure trigger of 2 cm H2O. The autocycling group was found to have significantly higher CVP values than the non-autocycling group (P = 0.012. Our data suggest that mechanical ventilator autocycling may be resolved or prevented by the use of a pressure trigger rather than a flow trigger setting in patients with TAHs who require mechanical ventilation.

  9. Spontaneous emission and the operation of invisibility cloaks: Can the invisibility cloaks render objects invisible in quantum mechanic domain?

    CERN Document Server

    Behbahani, Mina Morshed; Mahdifar, Ali

    2016-01-01

    As a probe to explore the ability of invisibility cloaks to conceal objects in the quantum mechanics domain, we study the spontaneous emission rate of an excited two-level atom in the vicinity of an ideal invisibility cloaking. On this base, first, a canonical quantization scheme is presented for the electromagnetic field interacting with atomic systems in an anisotropic, inhomogeneous and absorbing magnetodielectric medium which can suitably be used for studying the influence of arbitrary invisibility cloak on the atomic radiative properties. The time dependence of the atomic subsystem is obtained in the Schrodinger picture. By introducing a modified set of the spherical wave vector functions, the Green tensor of the system is calculated via the continuous and discrete methods. In this formalism, the decay rate and as well the emission pattern of the aforementioned atom are computed analytically for both weak and strong coupling interaction, and then numerically calculations are done to demonstrate the perfo...

  10. 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

  11. Molecular catalytic coal liquid conversion

    Energy Technology Data Exchange (ETDEWEB)

    Stock, L.M.; Yang, Shiyong [Univ. of Chicago, IL (United States)

    1995-12-31

    This research, which is relevant to the development of new catalytic systems for the improvement of the quality of coal liquids by the addition of dihydrogen, is divided into two tasks. Task 1 centers on the activation of dihydrogen by molecular basic reagents such as hydroxide ion to convert it into a reactive adduct (OH{center_dot}H{sub 2}){sup {minus}} that can reduce organic molecules. Such species should be robust withstanding severe conditions and chemical poisons. Task 2 is focused on an entirely different approach that exploits molecular catalysts, derived from organometallic compounds that are capable of reducing monocyclic aromatic compounds under very mild conditions. Accomplishments and conclusions are discussed.

  12. Studies of Catalytic Model Systems

    DEFF Research Database (Denmark)

    Holse, Christian

    the Cu/ZnO nanoparticles is highly relevant to industrial methanol synthesis for which the direct interaction of Cu and ZnO nanocrystals synergistically boost the catalytic activity. The dynamical behavior of the nanoparticles under reducing and oxidizing environments were studied by means of ex situ...... observed by XPS as the nanoparticles are reduced. The Cu/ZnO nanoparticles are tested on a  µ-reactor platform and prove to be active towards methanol synthesis, making it an excellent model system for further investigations into activity depended morphology changes....

  13. Catalytic Spectrophotometric Determination of Chromium

    OpenAIRE

    STOYANOVA, Angelina Miltcheva

    2005-01-01

    The catalytic effect of chromium(III) and chromium(VI) on the oxidation of sulfanilic acid by hydrogen peroxide was studied. The reaction was followed spectrophotometrically by measuring the absorbance of the reaction product at 360 nm. Under the optimum conditions 2 calibration graphs (for chromium(III) up to 100 ng mL-1, and for chromium(VI) up to 200 ng mL-1) were obtained, using the ``fixed time'' method with detection limits of 4.9 ng mL-1 and 3.8 ng mL-1, respectively...

  14. Catalytic Combustion of Ethyl Acetate

    OpenAIRE

    ÖZÇELİK, Tuğba GÜRMEN; ATALAY, Süheyda; ALPAY, Erden

    2007-01-01

    The catalytic combustion of ethyl acetate over prepared metal oxide catalysts was investigated. CeO, Co2O3, Mn2O3, Cr2O3, and CeO-Co2O3 catalysts were prepared on monolith supports and they were tested. Before conducting the catalyst experiments, we searched for the homogeneous gas phase combustion reaction of ethyl acetate. According to the homogeneous phase experimental results, 45% of ethyl acetate was converted at the maximum reactor temperature tested (350 °C). All the prepare...

  15. Technical Specification of Soil Preparation Mechanization Operation for Chinese Yam%山药整地机械化作业技术规范

    Institute of Scientific and Technical Information of China (English)

    姚志刚

    2014-01-01

    From the aspects of operation condition, preparation and methods, the article introduces the technical key points for soil preparation mechanization operation for Chinese yam, expounds the soil preparation quality and relative parameter's calculation meth-ods, and provides a reference for standardizing and expending the cultivation industry of Chinese yam.%从作业条件、作业准备、作业方法等方面,介绍山药整地机械化作业技术的要点,论述其整地质量要求及相关参数计算方法,为山药种植产业的规范化及扩大化提供参考。

  16. Experience with chemistry control of primary circuit and operation of high temperature and high pressure mechanical filtration at Temelin VVER-1000/320 NPP

    International Nuclear Information System (INIS)

    The primary circuit with the VVER1000-320V reactor installed in the nuclear power plant Temelin represents a world-unique technology in terms of reduction of concentration of corrosion products and activated corrosion products by means of mechanical, high-temperature and high-pressure filters. The technology uses continual filtration and its main advantage is cleaning of the primary coolant at operating parameters, i.e. without any adjustments of pressure and temperature of the filtered coolant. The filter is made of especially treated titanium, whose spongy form improves the required interception of undissolved corrosion products and activated corrosion products on its surface. It contributes to limitation of formation of radiation fields and it favorably affects reduction of the effective dose received by the plant's operating personnel. (author)

  17. Study on the Operating Mechanism and Practice concerning Undergraduate Teaching Quality Assurance in the Chinese Agriculture-related Colleges and Universities

    Institute of Scientific and Technical Information of China (English)

    Zhongming; SHEN

    2015-01-01

    This paper analyzes the connotation of the undergraduate teaching quality assurance system in agriculture-related colleges and universities,and takes Southwest University Rongchang Campus for example to probe into the long-term operating mechanism of multidimensional integrated quality assurance system as well as the sound teaching quality monitoring and management system building assurance system and operational practice effect involving personnel training programs,teaching element control,supervision and control of the teaching process,supervision and control of teaching effectiveness,teaching assurance policy and system,teaching funding system,teaching technical support guarantee,and teaching environment building guarantee,with the purpose of providing a reference for the Chinese universities and colleges to improve the teaching quality.

  18. Estimating the temperature of a catalytic converter

    Energy Technology Data Exchange (ETDEWEB)

    Ma, T.T.-H.

    1994-11-02

    A method of estimating the temperature of a catalytic converter used in the exhaust system of an internal combustion engine is described. Heated exhaust gas oxygen (HEGO) sensors are placed upstream and downstream of the catalytic converter. The temperature of the catalytic converter shortly after start-up is measured by monitoring the resistance of the HEGO sensor's heating element. The downstream sensor is used for mixture control and to double check results of the upstream sensor. (UK)

  19. Design and Experimentation with Sandwich Microstructure for Catalytic Combustion-Type Gas Sensors

    OpenAIRE

    Jun-Tao Gu; Yong-De Zhang; Jin-Gang Jiang

    2014-01-01

    The traditional handmade catalytic combustion gas sensor has some problems such as a pairing difficulty, poor consistency, high power consumption, and not being interchangeable. To address these issues, integrated double catalytic combustion of alcohol gas sensor was designed and manufactured using silicon micro-electro-mechanical systems (MEMS) technology. The temperature field of the sensor is analyzed using the ANSYS finite element analysis method. In this work, the silicon oxide-PECVD-oxi...

  20. Designing novel synthetic enzyme-like structures with inducible dynamic catalytic properties

    OpenAIRE

    Cheung, Michelle Lillian

    2012-01-01

    Over the past three decades considerable efforts have been made to create synthetic versions of enzymes, sometimes called synzymes. Most have failed, and the few so-called successes are at best only marginal exhibiting properties that can barely be described as catalytic. While these synthetic nano-structures look similar to the enzyme active site, they do not have the unique mechanical or dynamic catalytic properties to transform a substrate molecule into the desired product molecule with tu...