Hydrogen Production by Homogeneous Catalysis: Alcohol Acceptorless Dehydrogenation

DEFF Research Database (Denmark)

Nielsen, Martin

2015-01-01

in hydrogen production from biomass using homogeneous catalysis. Homogeneous catalysis has the advance of generally performing transformations at much milder conditions than traditional heterogeneous catalysis, and hence it constitutes a promising tool for future applications for a sustainable energy sector...

Auctioning payment entitlements

DEFF Research Database (Denmark)

Nielsen, Kurt

2005-01-01

Payment entitlements is a new commodity that arises from the new European common agricultural policy. The agricultural subsidies are decoupled from the actual production and replaced by the so-called payment entitlements. A payment entitlement has a farm specific value and may be freely traded. T...

Interrelation of chemistry and process design in biodiesel manufacturing by heterogeneous catalysis

NARCIS (Netherlands)

Dimian, A.C.; Srokol, Z.W.; Mittelmeijer-Hazeleger, M.C.; Rothenberg, G.

2010-01-01

The pros and cons of using heterogeneous catalysis for biodiesel manufacturing are introduced, and explained from a chemistry and engineering viewpoint. Transesterification reactions of various feed types are then compared in batch and continuous process operation modes. The results show that the

Faraday Discussions meeting Catalysis for Fuels.

Science.gov (United States)

Fischer, Nico; Kondrat, Simon A; Shozi, Mzamo

2017-05-02

Welcome to Africa was the motto when after more than 100 years the flag ship conference series of the Royal Society of Chemistry, the Faraday Discussions was hosted for the first time on the African Continent. Under the fitting topic 'Catalysis for Fuels' over 120 delegates followed the invitation by the conference chair Prof. Graham Hutchings FRS (Cardiff Catalysis Institute), his organizing committee and the co-organizing DST-NRF Centre of Excellence in Catalysis c*change (). In the presentations of 21 invited speakers and 59 posters, cutting edge research in the field of catalysis for fuels, designing new catalysts for synthetic fuels, hydrocarbon conversion in the production of synthetic fuels and novel photocatalysis was presented over the two-day meeting. The scene was set by the opening lecture of Prof. Enrique Iglesias (UC Berkeley) and wrapped-up with the concluding remarks by Philip Gibson (SASOL).

Concepts in catalysis

International Nuclear Information System (INIS)

Boudart, M.

1992-01-01

This paper reports on concept in catalysis which are very important in heterogeneous catalysis, even today, when in spite of surface science, the complexity of events at a real catalytic surface is still evading the understanding necessary for design. In this paper the authors will attempt to give an update on evolving concepts in heterogeneous catalysis. The topics include: counting active centers on metal surfaces; the notion of turnover frequency for a catalytic cycle; the concept of structure (in) sensitive reactions; the ensemble (geometric) vs. The ligand (electronic) effect following Sachtler's school; the idea of a rate determining step and of a most abundant reactive intermediate; the effect of surface non-uniformity on catalytic kinetics; what makes catalytic cycles turnover

Controllable Catalysis with Nanoparticles: Bimetallic Alloy Systems and Surface Adsorbates

KAUST Repository

Chen, Tianyou

2016-05-16

Transition metal nanoparticles are privileged materials in catalysis due to their high specific surface areas and abundance of active catalytic sites. While many of these catalysts are quite useful, we are only beginning to understand the underlying catalytic mechanisms. Opening the “black box” of nanoparticle catalysis is essential to achieve the ultimate goal of catalysis by design. In this Perspective we highlight recent work addressing the topic of controlled catalysis with bimetallic alloy and “designer” adsorbate-stabilized metal nanoparticles.

Controllable Catalysis with Nanoparticles: Bimetallic Alloy Systems and Surface Adsorbates

KAUST Repository

Chen, Tianyou; Rodionov, Valentin

2016-01-01

Transition metal nanoparticles are privileged materials in catalysis due to their high specific surface areas and abundance of active catalytic sites. While many of these catalysts are quite useful, we are only beginning to understand the underlying catalytic mechanisms. Opening the “black box” of nanoparticle catalysis is essential to achieve the ultimate goal of catalysis by design. In this Perspective we highlight recent work addressing the topic of controlled catalysis with bimetallic alloy and “designer” adsorbate-stabilized metal nanoparticles.

Magnetic catalysis and inverse magnetic catalysis in QCD

International Nuclear Information System (INIS)

Mueller, N.

2015-01-01

We investigate the effects of strong magnetic fields on the QCD phase structure at vanishing density by solving the gluon and quark gap equations. The chiral crossover temperature as well as the chiral condensate is computed. For asymptotically large magnetic fields we find magnetic catalysis, while we find inverse magnetic catalysis for intermediate magnetic fields. Moreover, for large magnetic fields the chiral phase transition for massless quarks turns into a crossover. The underlying mechanisms are then investigated analytically within a few simplifications of the full numerical analysis. We find that a combination of gluon screening effects and the weakening of the strong coupling is responsible for the phenomenon of inverse catalysis seen in lattice studies. In turn, the magnetic catalysis at large magnetic field is already indicated by simple arguments based on dimensionality. (author)

Catalysis by nonmetals rules for catalyst selection

CERN Document Server

Krylov, Oleg V

1970-01-01

Catalysis by Non-metals: Rules of Catalyst Selection presents the development of scientific principles for the collection of catalysts. It discusses the investigation of the mechanism of chemosorption and catalysis. It addresses a series of properties of solid with catalytic activity. Some of the topics covered in the book are the properties of a solid and catalytic activity in oxidation-reduction reactions; the difference of electronegativities and the effective charges of atoms; the role of d-electrons in the catalytic properties of a solid; the color of solids; and proton-acid and proton-ba

An expanded genetic code for probing the role of electrostatics in enzyme catalysis by vibrational Stark spectroscopy.

Science.gov (United States)

Völler, Jan-Stefan; Biava, Hernan; Hildebrandt, Peter; Budisa, Nediljko

2017-11-01

To find experimental validation for electrostatic interactions essential for catalytic reactions represents a challenge due to practical limitations in assessing electric fields within protein structures. This review examines the applications of non-canonical amino acids (ncAAs) as genetically encoded probes for studying the role of electrostatic interactions in enzyme catalysis. ncAAs constitute sensitive spectroscopic probes to detect local electric fields by exploiting the vibrational Stark effect (VSE) and thus have the potential to map the protein electrostatics. Mapping the electrostatics in proteins will improve our understanding of natural catalytic processes and, in beyond, will be helpful for biocatalyst engineering. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Multicatalyst system in asymmetric catalysis

CERN Document Server

Zhou, Jian

2014-01-01

This book introduces multi-catalyst systems by describing their mechanism and advantages in asymmetric catalysis.  Helps organic chemists perform more efficient catalysis with step-by-step methods  Overviews new concepts and progress for greener and economic catalytic reactions  Covers topics of interest in asymmetric catalysis including bifunctional catalysis, cooperative catalysis, multimetallic catalysis, and novel tandem reactions   Has applications for pharmaceuticals, agrochemicals, materials, and flavour and fragrance

A molecular view of heterogeneous catalysis

DEFF Research Database (Denmark)

Christensen, Claus H.; Nørskov, Jens Kehlet

2008-01-01

The establishment of a molecular view of heterogeneous catalysis has been hampered for a number of reasons. There are, however, recent developments, which show that we are now on the way towards reaching a molecular-scale picture of the way solids work as catalysts. By a combination of new...... by enabling a rational design of new catalysts. We illustrate this important development in heterogeneous catalysis by highlighting recent examples of catalyst systems for which it has been possible to achieve such a detailed understanding. In particular, we emphasize examples where this progress has made...

Recent Progress in Asymmetric Catalysis and Chromatographic Separation by Chiral Metal–Organic Frameworks

Directory of Open Access Journals (Sweden)

Suchandra Bhattacharjee

2018-03-01

Full Text Available Metal–organic frameworks (MOFs, as a new class of porous solid materials, have emerged and their study has established itself very quickly into a productive research field. This short review recaps the recent advancement of chiral MOFs. Here, we present simple, well-ordered instances to classify the mode of synthesis of chiral MOFs, and later demonstrate the potential applications of chiral MOFs in heterogeneous asymmetric catalysis and enantioselective separation. The asymmetric catalysis sections are subdivided based on the types of reactions that have been successfully carried out recently by chiral MOFs. In the part on enantioselective separation, we present the potentiality of chiral MOFs as a stationary phase for high-performance liquid chromatography (HPLC and high-resolution gas chromatography (GC by considering fruitful examples from current research work. We anticipate that this review will provide interest to researchers to design new homochiral MOFs with even greater complexity and effort to execute their potential functions in several fields, such as asymmetric catalysis, enantiomer separation, and chiral recognition.

New and future developments in catalysis catalysis by nanoparticles

CERN Document Server

Suib, Steven L

2013-01-01

New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes. The use of catalysts in the nanoscale offers various advantages (increased efficiency and less byproducts), and these are discussed in this volume along with the various catalytic processes using nanoparticles. However, this is not without any risks and the safety aspects and effects on humans and the environment are still unknown. The present data as well as future needs are all part of this volume along with the economics involved. Offers in-depth coverage of all catalytic topics of current interest and outlines future challenges and research areas A clear and visual descr...

Competing role of catalysis-coagulation and catalysis-fragmentation in kinetic aggregation behaviours

International Nuclear Information System (INIS)

Li Xiao-Dong; Lin Zhen-Quan; Song Mei-Xia; Ke Jian-Hong

2010-01-01

We propose a kinetic aggregation model where species A aggregates evolve by the catalysis-coagulation and the catalysis-fragmentation, while the catalyst aggregates of the same species B or C perform self-coagulation processes. By means of the generalized Smoluchowski rate equation based on the mean-field assumption, we study the kinetic behaviours of the system with the catalysis-coagulation rate kernel K(i,j;l) ∝ l ν and the catalysis-fragmentation rate kernel F(i,j;l) ∝ l μ , where l is the size of the catalyst aggregate, and ν and μ are two parameters reflecting the dependence of the catalysis reaction on the size of the catalyst aggregate. The relation between the values of parameters ν and μ reflects the competing roles between the two catalysis processes in the kinetic evolution of species A. It is found that the competing roles of the catalysis-coagulation and catalysis-fragmentation in the kinetic aggregation behaviours are not determined simply by the relation between the two parameters ν and μ, but also depend on the values of these two parameters. When ν > μ and ν ≥ 0, the kinetic evolution of species A is dominated by the catalysis-coagulation and its aggregate size distribution a k (t) obeys the conventional or generalized scaling law; when ν k (t) approaches the scale-free form; and in other cases, a balance is established between the two competing processes at large times and a k (t) obeys a modified scaling law. (cross-disciplinary physics and related areas of science and technology)

Catalysis by Design Using Surface Organometallic Nitrogen-Containing Fragments

KAUST Repository

Hamzaoui, Bilel

2016-06-14

The aim of this thesis is to explore the chemistry of well-defined silica-supported group 4 and group 5 complexes that contain one or more multiply-bonded nitrogen atoms. Such species have been recognized as crucial intermediates in many catalytic reactions (e.g. hydroaminoalkylation, olefin hydrogenation, imine metathesis…). The first chapter provided a bibliographic overview of the preparation and the reactivity of group 4 and 5 complexes towards hydroaminoalkylation and imine metathesis catalysis. The second chapter deals with the isolation and the characterization of a series of well-defined group 4 ƞ2-imine complexes surfaces species. 2D solid-state NMR (1H–13C HETCOR, Multiple Quantum) experiments have revealed consistently a unique structural rearrangement, viz azametallacycle occurring on the immobilized metal-amido ligands. Hydrogenolysis of the sole Zr-C bond in such species gives selectively a silica-supported zirconium monohydride that can perform the catalytic hydrogenation of olefins. The third chapter examines the mechanistic studies of the intermolecular hydroaminoalkylation using SOMC to identify the key metallacyclic surface intermediates (silica-supported three-membred and five-membered). The catalyst was regenerated by protonolysis and afforded pure amine. Catalytic testing of a selection of amine compounds with variable electronic properties was carried out. The fourth chapter deals with the generation and the characterization of well-defined silica-supported zirconium-imido complexes. The resulting species effectively catalyzes imine/imine cross-metathesis and thus considered as the first heterogeneous catalysts active for imine metathesis reaction. The fifth chapter studies the reaction of SBA15.1100 ºC with dry aniline and derivatives leading to opening strained siloxane bridges into acid-base paired functionalities (formation of N-phenylsilanamine-silanol pairs). This approach was successfully applied to the design of a series of

Design of a new reactor-like high temperature near ambient pressure scanning tunneling microscope for catalysis studies.

Science.gov (United States)

Tao, Franklin Feng; Nguyen, Luan; Zhang, Shiran

2013-03-01

Here, we present the design of a new reactor-like high-temperature near ambient pressure scanning tunneling microscope (HT-NAP-STM) for catalysis studies. This HT-NAP-STM was designed for exploration of structures of catalyst surfaces at atomic scale during catalysis or under reaction conditions. In this HT-NAP-STM, the minimized reactor with a volume of reactant gases of ∼10 ml is thermally isolated from the STM room through a shielding dome installed between the reactor and STM room. An aperture on the dome was made to allow tip to approach to or retract from a catalyst surface in the reactor. This dome minimizes thermal diffusion from hot gas of the reactor to the STM room and thus remains STM head at a constant temperature near to room temperature, allowing observation of surface structures at atomic scale under reaction conditions or during catalysis with minimized thermal drift. The integrated quadrupole mass spectrometer can simultaneously measure products during visualization of surface structure of a catalyst. This synergy allows building an intrinsic correlation between surface structure and its catalytic performance. This correlation offers important insights for understanding of catalysis. Tests were done on graphite in ambient environment, Pt(111) in CO, graphene on Ru(0001) in UHV at high temperature and gaseous environment at high temperature. Atom-resolved surface structure of graphene on Ru(0001) at 500 K in a gaseous environment of 25 Torr was identified.

Federalism, entitlements, and discretionary grants: the fiscal context of national support for immunization programs.

Science.gov (United States)

Miller, V J

2000-10-01

This paper defines the appropriation and resource allocation structure of federal government programs that deliver vaccines to the public through state and local governments, with a special focus on the Centers for Disease Control and Prevention (CDC) Section 317 program. The paper places these programs in the context of the overall intergovernmental finance system of the United States, and the manner in which that system has responded to societal changes in other areas, such as unemployment insurance and environmental protection. The paper concludes that a changing environment for vaccine financing, and uncertain appropriations for state government immunization infrastructure, may have made the current CDC Section 317 program inadequate. Increased entitlement resources for federally funded vaccines have not been matched with increased and stable resources for the balance of program costs. To the contrary, funding provided to the Section 317 program has proven unstable, and its discretionary appropriations have proven vulnerable to both executive and legislative branch earmarking for such activities as overseas disease eradication or home state earmarking by congressional appropriations subcommittee members. In addition, the rigidity of some CDC program requirements makes it difficult for states to effectively use program funds. Consideration should be given to strengthening the Section 317 program and its relationships to other federal aid programs to ensure that adequate immunization protections are provided in all states to adequately protect all citizens.

Spectroscopy in catalysis : an introduction

NARCIS (Netherlands)

Niemantsverdriet, J.W.

2000-01-01

Spectroscopy in Catalysis describes the most important modern analytical techniques used to investigate catalytic surfaces. These include electron spectroscopy (XPS, UPS, AES, EELS), ion spectroscopy (SIMS, SNMS, RBS, LEIS), vibrational spectroscopy (infrared, Raman, EELS), temperature-programmed

Molecular catalysis science: Perspective on unifying the fields of catalysis.

Science.gov (United States)

Ye, Rong; Hurlburt, Tyler J; Sabyrov, Kairat; Alayoglu, Selim; Somorjai, Gabor A

2016-05-10

Colloidal chemistry is used to control the size, shape, morphology, and composition of metal nanoparticles. Model catalysts as such are applied to catalytic transformations in the three types of catalysts: heterogeneous, homogeneous, and enzymatic. Real-time dynamics of oxidation state, coordination, and bonding of nanoparticle catalysts are put under the microscope using surface techniques such as sum-frequency generation vibrational spectroscopy and ambient pressure X-ray photoelectron spectroscopy under catalytically relevant conditions. It was demonstrated that catalytic behavior and trends are strongly tied to oxidation state, the coordination number and crystallographic orientation of metal sites, and bonding and orientation of surface adsorbates. It was also found that catalytic performance can be tuned by carefully designing and fabricating catalysts from the bottom up. Homogeneous and heterogeneous catalysts, and likely enzymes, behave similarly at the molecular level. Unifying the fields of catalysis is the key to achieving the goal of 100% selectivity in catalysis.

Seventh BES [Basic Energy Sciences] catalysis and surface chemistry research conference

International Nuclear Information System (INIS)

1990-03-01

Research programs on catalysis and surface chemistry are presented. A total of fifty-seven topics are included. Areas of research include heterogeneous catalysis; catalysis in hydrogenation, desulfurization, gasification, and redox reactions; studies of surface properties and surface active sites; catalyst supports; chemical activation, deactivation; selectivity, chemical preparation; molecular structure studies; sorption and dissociation. Individual projects are processed separately for the data bases

Seventh BES (Basic Energy Sciences) catalysis and surface chemistry research conference

Energy Technology Data Exchange (ETDEWEB)

1990-03-01

Research programs on catalysis and surface chemistry are presented. A total of fifty-seven topics are included. Areas of research include heterogeneous catalysis; catalysis in hydrogenation, desulfurization, gasification, and redox reactions; studies of surface properties and surface active sites; catalyst supports; chemical activation, deactivation; selectivity, chemical preparation; molecular structure studies; sorption and dissociation. Individual projects are processed separately for the data bases. (CBS)

Dedicated Beamline Facilities for Catalytic Research. Synchrotron Catalysis Consortium (SCC)

Energy Technology Data Exchange (ETDEWEB)

Chen, Jingguang [Columbia Univ., New York, NY; Frenkel, Anatoly [Yeshiva Univ., New York, NY (United States); Rodriguez, Jose [Brookhaven National Lab. (BNL), Upton, NY (United States); Adzic, Radoslav [Brookhaven National Lab. (BNL), Upton, NY (United States); Bare, Simon R. [UOP LLC, Des Plaines, IL (United States); Hulbert, Steve L. [Brookhaven National Lab. (BNL), Upton, NY (United States); Karim, Ayman [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mullins, David R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Overbury, Steve [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2015-03-04

Synchrotron spectroscopies offer unique advantages over conventional techniques, including higher detection sensitivity and molecular specificity, faster detection rate, and more in-depth information regarding the structural, electronic and catalytic properties under in-situ reaction conditions. Despite these advantages, synchrotron techniques are often underutilized or unexplored by the catalysis community due to various perceived and real barriers, which will be addressed in the current proposal. Since its establishment in 2005, the Synchrotron Catalysis Consortium (SCC) has coordinated significant efforts to promote the utilization of cutting-edge catalytic research under in-situ conditions. The purpose of the current renewal proposal is aimed to provide assistance, and to develop new sciences/techniques, for the catalysis community through the following concerted efforts: Coordinating the implementation of a suite of beamlines for catalysis studies at the new NSLS-II synchrotron source; Providing assistance and coordination for catalysis users at an SSRL catalysis beamline during the initial period of NSLS to NSLS II transition; Designing in-situ reactors for a variety of catalytic and electrocatalytic studies; Assisting experimental set-up and data analysis by a dedicated research scientist; Offering training courses and help sessions by the PIs and co-PIs.

Advances in catalysis

CERN Document Server

Gates, Bruce C

2012-01-01

Advances in Catalysis fills the gap between the journal papers and the textbooks across the diverse areas of catalysis research. For more than 60 years Advances in Catalysis has been dedicated to recording progress in the field of catalysis and providing the scientific community with comprehensive and authoritative reviews. This series in invaluable to chemical engineers, physical chemists, biochemists, researchers and industrial chemists working in the fields of catalysis and materials chemistry. * In-depth, critical, state-of-the-art reviews * Comprehensive, covers of all as

Advances in catalysis

International Nuclear Information System (INIS)

Eley, D.D.; Pine, H.; Weisz, P.B.

1989-01-01

This book reports on the current state of knowledge concerning structure and catalysis of metals and metal oxide particles, old and new. It addresses the basic and broad problems of what the catalytically relevant surface structures of metals are, where we stand in techniques capable of attacking this problem, and what the current state of knowledge is. The focus is on long-standing, important, and central problem of general investigative methodology and strategy: the pressure gap is created by the fact that the best techniques of surface analysis require high-vacuum conditions, while useful catalysis is confined to conditions of near ambient or higher pressures. The authors review the basic question of the influence of particle size on catalytic behavior of metal particles which involves questions of the basic sciences as much as practical considerations of catalyst design and use. They discuss preparatory techniques, analytical technology, and methods of characterization of these materials

"Nanocrystal bilayer for tandem catalysis"

Energy Technology Data Exchange (ETDEWEB)

Yamada, Yusuke; Tsung, Chia Kuang; Huang, Wenyu; Huo, Ziyang; E.Habas, Susan E; Soejima, Tetsuro; Aliaga, Cesar E; Samorjai, Gabor A; Yang, Peidong

2011-01-24

Supported catalysts are widely used in industry and can be optimized by tuning the composition and interface of the metal nanoparticles and oxide supports. Rational design of metal-metal oxide interfaces in nanostructured catalysts is critical to achieve better reaction activities and selectivities. We introduce here a new class of nanocrystal tandem catalysts that have multiple metal-metal oxide interfaces for the catalysis of sequential reactions. We utilized a nanocrystal bilayer structure formed by assembling platinum and cerium oxide nanocube monolayers of less than 10 nm on a silica substrate. The two distinct metal-metal oxide interfaces, CeO2-Pt and Pt-SiO2, can be used to catalyse two distinct sequential reactions. The CeO2-Pt interface catalysed methanol decomposition to produce CO and H2, which were subsequently used for ethylene hydroformylation catalysed by the nearby Pt-SiO2 interface. Consequently, propanal was produced selectively from methanol and ethylene on the nanocrystal bilayer tandem catalyst. This new concept of nanocrystal tandem catalysis represents a powerful approach towards designing high-performance, multifunctional nanostructured catalysts

Value-added Chemicals from Biomass by Heterogeneous Catalysis

DEFF Research Database (Denmark)

Voss, Bodil

feedstock, having retained one C-C bond originating from the biomass precursor, the aspects of utilising heterogeneous catalysis for its conversion to value added chemicals is investigated. Through a simple analysis of known, but not industrialised catalytic routes, the direct conversion of ethanol....... The results of the thesis, taking one example of biomass conversion, show that the utilisation of biomass in the production of chemicals by heterogeneous catalysis is promising from a technical point of view. But risks of market price excursions dominated by fossil based chemicals further set a criterion...... been implemented. The subject on chemical production has received less attention. This thesis describes and evaluates the quest for an alternative conversion route, based on a biomass feedstock and employing a heterogeneous catalyst capable of converting the feedstock, to a value-added chemical...

Environmental catalysis

International Nuclear Information System (INIS)

Montes Consuelo; Villa, Aida Luz

1996-01-01

The term environmental catalysis has been used lately to refer to a variety of applications of the catalysis, those which, they have grouped in the following categories: a) Control of emissions (chimney Gases and gases of the vehicles, Compound Organic Volatile (VOC), Scents, Chlorofluorocarbons) b) Conversion of having undone solids or liquids. C) Selective obtaining of alternating products that replace polluting compounds. d)replacement of catalysis environmentally dangerous And e)Development of catalysts for the obtaining of valuable chemical products without the formation of polluting by-products. In the group of Environmental Catalysis comes working in the first category, Particularly, in the exploration of active catalysts in the decrease of the emissions coming from combustion systems, carbon monoxide, hydrocarbons, nitrogen oxides (NOx), N20 and sulfur (SOx). Our fundamental premise is that the molecular meshes are catalytic potential for the development of a technology environmentally clean. These materials understand a class of inorganic compound with unique properties and intimately related with the structure. The net of the molecular meshes consists on tetrahedral configuration atoms (Al,Si, P, etc.) united to each other by oxygen atoms. As a result they are not formed three-dimensional structures alone with channels and cavities but also, with openings bounded by rings that consist of a certain number of tetrahedral atoms

Pickering interfacial catalysis for biphasic systems: from emulsion design to green reactions.

Science.gov (United States)

Pera-Titus, Marc; Leclercq, Loïc; Clacens, Jean-Marc; De Campo, Floryan; Nardello-Rataj, Véronique

2015-02-09

Pickering emulsions are surfactant-free dispersions of two immiscible fluids that are kinetically stabilized by colloidal particles. For ecological reasons, these systems have undergone a resurgence of interest to mitigate the use of synthetic surfactants and solvents. Moreover, the use of colloidal particles as stabilizers provides emulsions with original properties compared to surfactant-stabilized emulsions, microemulsions, and micellar systems. Despite these specific advantages, the application of Pickering emulsions to catalysis has been rarely explored. This Minireview describes very recent examples of hybrid and composite amphiphilic materials for the design of interfacial catalysts in Pickering emulsions with special emphasis on their assets and challenges for industrially relevant biphasic reactions in fine chemistry, biofuel upgrading, and depollution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular water oxidation catalysis

CERN Document Server

Llobet, Antoni

2014-01-01

Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most importan

Catalysis as a foundational pillar of green chemistry

Energy Technology Data Exchange (ETDEWEB)

Anastas, Paul T. [White House Office of Science and Technology Policy, Department of Chemistry, University of Nottingham Nottingham, (United Kingdom); Kirchhoff, Mary M. [U.S. Environmental Protection Agency and Trinity College, Washington, DC (United States); Williamson, Tracy C. [U.S. Environmental Protection Agency, Washington, DC (United States)

2001-11-30

are serving as a strong incentive to industry to adopt greener technologies. Developing green chemistry methodologies is a challenge that may be viewed through the framework of the Twelve Principles of Green Chemistry . These principles identify catalysis as one of the most important tools for implementing green chemistry. Catalysis offers numerous green chemistry benefits including lower energy requirements, catalytic versus stoichiometric amounts of materials, increased selectivity, and decreased use of processing and separation agents, and allows for the use of less toxic materials. Heterogeneous catalysis, in particular, addresses the goals of green chemistry by providing the ease of separation of product and catalyst, thereby eliminating the need for separation through distillation or extraction. In addition, environmentally benign catalysts such as clays and zeolites, may replace more hazardous catalysts currently in use. This paper highlights a variety of ways in which catalysis may be used as a pollution prevention tool in green chemistry reactions. The benefits to human health, environment, and the economic goals realized through the use of catalysis in manufacturing and processing are illustrated by focusing on the catalyst design and catalyst applications.

Editorial: Nanoscience makes catalysis greener

KAUST Repository

Polshettiwar, Vivek; Basset, Jean-Marie; Astruc, Didier

2012-01-01

Green chemistry by nanocatalysis: Catalysis is a strategic field of science because it involves new ways of meeting energy and sustainability challenges. The concept of green chemistry, which makes the science of catalysis even more creative, has

Hierarchical zeolites: Enhanced utilisation of microporous crystals in catalysis by advances in materials design

DEFF Research Database (Denmark)

Perez-Ramirez, Javier; Christensen, Claus H.; Egeblad, Kresten

2008-01-01

The introduction of synthetic zeolites has led to a paradigm shift in catalysis, separations, and adsorption processes, due to their unique properties such as crystallinity, high-surface area, acidity, ion-exchange capacity, and shape-selective character. However, the sole presence of micropores...... the properties of the resulting materials and the catalytic function. We particularly dwell on the exciting field of hierarchical zeolites, which couple in a single material the catalytic power of micropores and the facilitated access and improved transport consequence of a complementary mesopore network...

New and future developments in catalysis catalysis for remediation and environmental concerns

CERN Document Server

Suib, Steven L

2013-01-01

New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes. The various sources of environmental pollution are the theme of this volume. The volume lists all current environmentally friendly catalytic chemical processes used for environmental remediation and critically compares their economic viability. Offers in-depth coverage of all catalytic topics of current interest and outlines future challenges and research areas A clear and visual description of all parameters and conditions, enabling the reader to draw conclusions for a particular case Outlines the catalytic processes applicable to energy generation and design of green proce...

Horizons in catalysis

Energy Technology Data Exchange (ETDEWEB)

Idol, J D

1979-04-21

A discussion covers a brief historical review of industrial catalysis; a survey of major present-day catalytic processes in the petroleum and petrochemical industries; the outlook for the industrial catalyst applications in coal liquefaction, conversion of coal liquids, shale oil, and other synthetic crude sources for transportation fuels, and synthesis gas-based processes; some important directions for future developments, including phase transfer catalysis, photocatalysis, and advanced techniques for catalyst studies; and the need for closer industry-university and industry-government cooperation in the field of catalysis.

Magnetic monopole catalysis of proton decay

International Nuclear Information System (INIS)

Marciano, W.J.; Salvino, D.

1986-09-01

Catalysis of proton decay by GUT magnetic monopoles (the Rubakov-Callan effect) is discussed. Combining a short-distance cross section calculation by Bernreuther and Craigie with the long-distance velocity dependent distortion factors of Arafune and Fukugita, catalysis rate predictions which can be compared with experiment are obtained. At present, hydrogen rich detectors such as water (H 2 O) and methane (CH 4 ) appear to be particularly well suited for observing catalysis by very slow monopoles. 17 refs., 1 fig

Molecular ingredients of heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described

Molecular ingredients of heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described.

Chemical catalysis in biodiesel production (I): enzymatic catalysis processes

International Nuclear Information System (INIS)

Jachmarian, I.; Dobroyan, M.; Veira, J.; Vieitez, I.; Mottini, M.; Segura, N.; Grompone, M.

2009-01-01

There are some well known advantages related with the substitution of chemical catalysis by enzymatic catalysis processes.Some commercial immobilized lipases are useful for the catalysis of bio diesel reaction, which permits the achievement of high conversions and the recovery of high purity products, like a high quality glycerine. The main disadvantage of this alternative method is related with the last inactivation of the enzyme (by both the effect of the alcohol and the absorption of glycerol on catalyst surface), which added to the high cost of the catalyst, produces an unfavourable economical balance of the entire process. In the work the efficiency of two commercial immobilized lipases (Lipozyme TL IM y Novozyme 435 NNovozymes-Dinamarca) in the catalysis of the continuous transesterification of sunflower oil with different alcohols was studied. The intersolubility of the different mixturesinvolving reactans (S oil/alkyl esters/alcohol) and products (P mixtures with a higher content of 1% of glycerol,while for ethanol homogeneous mixtures were obtained at 12% of glycerol (44.44 12).Using and ethanolic substrate at the proportion S=19:75:6 and Lipozyme TL IM, it was possible to achieve a 98% of convertion to the corresponding biodiesel.When Novozymes 435 catalyzed the process it was possible to increase the oil concentration in the substrateaccording to proportion S=35:30:35, and a 78% conversion was obtained. The productivity shown by the firt enzyme was 70mg biodiesel g enzime-1, hora-1 while with the second one the productivity increased to 230. Results suggested that the convenient adjustement of substrate composition with the addition of biodiesel to reactants offers an efficient method for maximizing the enzyme productivity, hence improving the profitability of the enzymatic catalyzed process. (author)

Role of catalysis in sustainable production of synthetic elastomers

Indian Academy of Sciences (India)

productions, the impact of synthetic elastomer business cannot be overlooked. The need of ... Keywords. Elastomers; catalysis; tyres and automobiles; mechanism; manufacturing process. 1. ..... level fractional factorial design model was also developed to ..... Polybutadiene can be manufactured by a number of pro- cesses ...

Spatially resolved observation of crystal-face-dependent catalysis by single turnover counting

Science.gov (United States)

Roeffaers, Maarten B. J.; Sels, Bert F.; Uji-I, Hiroshi; de Schryver, Frans C.; Jacobs, Pierre A.; de Vos, Dirk E.; Hofkens, Johan

2006-02-01

Catalytic processes on surfaces have long been studied by probing model reactions on single-crystal metal surfaces under high vacuum conditions. Yet the vast majority of industrial heterogeneous catalysis occurs at ambient or elevated pressures using complex materials with crystal faces, edges and defects differing in their catalytic activity. Clearly, if new or improved catalysts are to be rationally designed, we require quantitative correlations between surface features and catalytic activity-ideally obtained under realistic reaction conditions. Transmission electron microscopy and scanning tunnelling microscopy have allowed in situ characterization of catalyst surfaces with atomic resolution, but are limited by the need for low-pressure conditions and conductive surfaces, respectively. Sum frequency generation spectroscopy can identify vibrations of adsorbed reactants and products in both gaseous and condensed phases, but so far lacks sensitivity down to the single molecule level. Here we adapt real-time monitoring of the chemical transformation of individual organic molecules by fluorescence microscopy to monitor reactions catalysed by crystals of a layered double hydroxide immersed in reagent solution. By using a wide field microscope, we are able to map the spatial distribution of catalytic activity over the entire crystal by counting single turnover events. We find that ester hydrolysis proceeds on the lateral {1010} crystal faces, while transesterification occurs on the entire outer crystal surface. Because the method operates at ambient temperature and pressure and in a condensed phase, it can be applied to the growing number of liquid-phase industrial organic transformations to localize catalytic activity on and in inorganic solids. An exciting opportunity is the use of probe molecules with different size and functionality, which should provide insight into shape-selective or structure-sensitive catalysis and thus help with the rational design of new or

Catalysis by metallic nanoparticles in solution: Thermosensitive microgels as nanoreactors

OpenAIRE

Roa, Rafael; Angioletti-Uberti, Stefano; Lu, Yan; Dzubiella, Joachim; Piazza, Francesco; Ballauff, Matthias

2018-01-01

Metallic nanoparticles have been used as catalysts for various reactions, and the huge literature on the subject is hard to overlook. In many applications, the nanoparticles must be affixed to a colloidal carrier for easy handling during catalysis. These "passive carriers" (e.g., dendrimers) serve for a controlled synthesis of the nanoparticles and prevent coagulation during catalysis. Recently, hybrids from nanoparticles and polymers have been developed that allow us to change the catalytic ...

Catalysis seen in action.

Science.gov (United States)

Tromp, Moniek

2015-03-06

Synchrotron radiation techniques are widely applied in materials research and heterogeneous catalysis. In homogeneous catalysis, its use so far is rather limited despite its high potential. Here, insights in the strengths and limitations of X-ray spectroscopy technique in the field of homogeneous catalysis are given, including new technique developments. A relevant homogeneous catalyst, used in the industrially important selective oligomerization of ethene, is taken as a worked-out example. Emphasis is placed on time-resolved operando X-ray absorption spectroscopy with outlooks to novel high energy resolution and emission techniques. All experiments described have been or can be done at the Diamond Light Source Ltd (Didcot, UK). © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Entitlement and organizational behaviors: the moderating role of narcissism

Directory of Open Access Journals (Sweden)

Agata Szalkowska

2015-10-01

Full Text Available Background The purpose of this study was to investigate the relationship between psychological entitlement (active, passive, and revenge, narcissism and two types of organizational behaviors in employees. Interactions between narcissism and psychological entitlement as predictors of organizational citizenship behaviors (OCB and counterproductive work behaviors (CWB were explored. Predictors were analyzed in an effort to determine whether psychological entitlement plays a more destructive role among narcissistic employees than among non-narcissistic ones and whether the effects of narcissism on OCB and CWB are mediated by entitlement. Participants and procedure Data were obtained from 100 employees (34% men aged 22 to 59 years (M = 37.00, SD = 9.30 from public and private companies. Participants were asked to complete the Organizational Citizenship Behavior Scale (OCBS, the Counterproductive Organizational Behaviors Scale (COBS, the Entitlement Questionnaire, and the Narcissistic Personality Inventory (NPI. Results Positive aspects of entitlement were positively associated with OCB only among narcissistic employees, and active entitlement mediated the effects of narcissism on CWB. Active entitlement was negatively related to CWB. Negative aspects of entitlement were negatively related to OCB and unrelated to CWB. Conclusions This study provides evidence for positive (healthy aspects of entitlement for organizations. The unexpected interaction between narcissism and entitlement in predicting higher levels of OCB suggests that among narcissistic employees, healthy aspects of entitlement are desirable and profitable for an organization. Psychological entitlement was observed to be an important predictor of organizational behaviors beyond narcissism itself.

Stabilizing ultrasmall Au clusters for enhanced photoredox catalysis.

Science.gov (United States)

Weng, Bo; Lu, Kang-Qiang; Tang, Zichao; Chen, Hao Ming; Xu, Yi-Jun

2018-04-18

Recently, loading ligand-protected gold (Au) clusters as visible light photosensitizers onto various supports for photoredox catalysis has attracted considerable attention. However, the efficient control of long-term photostability of Au clusters on the metal-support interface remains challenging. Herein, we report a simple and efficient method for enhancing the photostability of glutathione-protected Au clusters (Au GSH clusters) loaded on the surface of SiO 2 sphere by utilizing multifunctional branched poly-ethylenimine (BPEI) as a surface charge modifying, reducing and stabilizing agent. The sequential coating of thickness controlled TiO 2 shells can further significantly improve the photocatalytic efficiency, while such structurally designed core-shell SiO 2 -Au GSH clusters-BPEI@TiO 2 composites maintain high photostability during longtime light illumination conditions. This joint strategy via interfacial modification and composition engineering provides a facile guideline for stabilizing ultrasmall Au clusters and rational design of Au clusters-based composites with improved activity toward targeting applications in photoredox catalysis.

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80 + trademark Standard Design. This volume 11 discusses Radiation Protection, Conduct of Operations, and the Initial Test Program

Neutrons for Catalysis: A Workshop on Neutron Scattering Techniques for Studies in Catalysis

International Nuclear Information System (INIS)

Overbury, Steven H.; Coates, Leighton; Herwig, Kenneth W.; Kidder, Michelle

2011-01-01

This report summarizes the Workshop on Neutron Scattering Techniques for Studies in Catalysis, held at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on September 16 and 17, 2010. The goal of the Workshop was to bring experts in heterogeneous catalysis and biocatalysis together with neutron scattering experimenters to identify ways to attack new problems, especially Grand Challenge problems in catalysis, using neutron scattering. The Workshop locale was motivated by the neutron capabilities at ORNL, including the High Flux Isotope Reactor (HFIR) and the new and developing instrumentation at the SNS. Approximately 90 researchers met for 1 1/2 days with oral presentations and breakout sessions. Oral presentations were divided into five topical sessions aimed at a discussion of Grand Challenge problems in catalysis, dynamics studies, structure characterization, biocatalysis, and computational methods. Eleven internationally known invited experts spoke in these sessions. The Workshop was intended both to educate catalyst experts about the methods and possibilities of neutron methods and to educate the neutron community about the methods and scientific challenges in catalysis. Above all, it was intended to inspire new research ideas among the attendees. All attendees were asked to participate in one or more of three breakout sessions to share ideas and propose new experiments that could be performed using the ORNL neutron facilities. The Workshop was expected to lead to proposals for beam time at either the HFIR or the SNS; therefore, it was expected that each breakout session would identify a few experiments or proof-of-principle experiments and a leader who would pursue a proposal after the Workshop. Also, a refereed review article will be submitted to a prominent journal to present research and ideas illustrating the benefits and possibilities of neutron methods for catalysis research.

Neutrons for Catalysis: A Workshop on Neutron Scattering Techniques for Studies in Catalysis

Energy Technology Data Exchange (ETDEWEB)

Overbury, Steven {Steve} H [ORNL; Coates, Leighton [ORNL; Herwig, Kenneth W [ORNL; Kidder, Michelle [ORNL

2011-10-01

This report summarizes the Workshop on Neutron Scattering Techniques for Studies in Catalysis, held at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on September 16 and 17, 2010. The goal of the Workshop was to bring experts in heterogeneous catalysis and biocatalysis together with neutron scattering experimenters to identify ways to attack new problems, especially Grand Challenge problems in catalysis, using neutron scattering. The Workshop locale was motivated by the neutron capabilities at ORNL, including the High Flux Isotope Reactor (HFIR) and the new and developing instrumentation at the SNS. Approximately 90 researchers met for 1 1/2 days with oral presentations and breakout sessions. Oral presentations were divided into five topical sessions aimed at a discussion of Grand Challenge problems in catalysis, dynamics studies, structure characterization, biocatalysis, and computational methods. Eleven internationally known invited experts spoke in these sessions. The Workshop was intended both to educate catalyst experts about the methods and possibilities of neutron methods and to educate the neutron community about the methods and scientific challenges in catalysis. Above all, it was intended to inspire new research ideas among the attendees. All attendees were asked to participate in one or more of three breakout sessions to share ideas and propose new experiments that could be performed using the ORNL neutron facilities. The Workshop was expected to lead to proposals for beam time at either the HFIR or the SNS; therefore, it was expected that each breakout session would identify a few experiments or proof-of-principle experiments and a leader who would pursue a proposal after the Workshop. Also, a refereed review article will be submitted to a prominent journal to present research and ideas illustrating the benefits and possibilities of neutron methods for catalysis research.

Academic entitlement in pharmacy education.

Science.gov (United States)

Cain, Jeff; Romanelli, Frank; Smith, Kelly M

2012-12-12

The constructs of academic entitlement and student consumerism refer to students' attitudes toward education as a commodity and the underlying belief that as consumers, they should be catered to and given the opportunity to participate in the education process according to their preferences. Most discussions regarding these attitudes are anecdotal, but the pervasiveness of these accounts and the troubling effects that ensue warrant attention. Grade inflation, student incivility, altered classroom practices, and decreased faculty morale are all potential aftereffects of teaching students who hold academic entitlement beliefs. Numerous factors are posited as attributing to academic entitlement including personal issues, societal pressures, and broad academic practices. This paper discusses these factors and offers faculty members and administrators recommendations regarding practices that may curb or alleviate issues associated with academically entitled students.

Teaching Rational Entitlement and Responsibility: A Socratic Exercise

Directory of Open Access Journals (Sweden)

David Godden

2014-02-01

Full Text Available The paper reports on a Socratic exercise that introduces participants to the norm of rational entitlement, as distinct from political entitlement, and the attendant norm of rational responsibility. The exercise demonstrates that, because participants are not willing to exchange their own opinion at random for another differing opinion to which the owner is, by the participants’ own admission, entitled, they treat their entitlement to their own opinion differently, giving it a special status. This gives rise to rational obligations such as the obligation to provide reasons, and a willingness to risk those opinions to the force of the better reason.

Prebiotic RNA Synthesis by Montmorillonite Catalysis

Directory of Open Access Journals (Sweden)

Sohan Jheeta

2014-08-01

Full Text Available This review summarizes our recent findings on the role of mineral salts in prebiotic RNA synthesis, which is catalyzed by montmorillonite clay minerals. The clay minerals not only catalyze the synthesis of RNA but also facilitate homochiral selection. Preliminary data of these findings have been presented at the “Horizontal Gene Transfer and the Last Universal Common Ancestor (LUCA” conference at the Open University, Milton Keynes, UK, 5–6 September 2013. The objective of this meeting was to recognize the significance of RNA in LUCA. We believe that the prebiotic RNA synthesis from its monomers must have been a simple process. As a first step, it may have required activation of the 5'-end of the mononucleotide with a leaving group, e.g., imidazole in our model reaction (Figure 1. Wide ranges of activating groups are produced from HCN under plausible prebiotic Earth conditions. The final step is clay mineral catalysis in the presence of mineral salts to facilitate selective production of functional RNA. Both the clay minerals and mineral salts would have been abundant on early Earth. We have demonstrated that while montmorillonite (pH 7 produced only dimers from its monomers in water, addition of sodium chloride (1 M enhanced the chain length multifold, as detected by HPLC. The effect of monovalent cations on RNA synthesis was of the following order: Li+ > Na+ > K+. A similar effect was observed with the anions, enhancing catalysis in the following order: Cl− > Br− > I−. The montmorillonite-catalyzed RNA synthesis was not affected by hydrophobic or hydrophilic interactions. We thus show that prebiotic synthesis of RNA from its monomers was a simple process requiring only clay minerals and a small amount of salt.

Surface and nanomolecular catalysis

CERN Document Server

Richards, Ryan

2006-01-01

Using new instrumentation and experimental techniques that allow scientists to observe chemical reactions and molecular properties at the nanoscale, the authors of Surface and Nanomolecular Catalysis reveal new insights into the surface chemistry of catalysts and the reaction mechanisms that actually occur at a molecular level during catalysis. While each chapter contains the necessary background and explanations to stand alone, the diverse collection of chapters shows how developments from various fields each contributed to our current understanding of nanomolecular catalysis as a whole. The

Catalysis in micellar and macromoleular systems

CERN Document Server

Fendler, Janos

1975-01-01

Catalysis in Micellar and Macromolecular Systems provides a comprehensive monograph on the catalyses elicited by aqueous and nonaqueous micelles, synthetic and naturally occurring polymers, and phase-transfer catalysts. It delineates the principles involved in designing appropriate catalytic systems throughout. Additionally, an attempt has been made to tabulate the available data exhaustively. The book discusses the preparation and purification of surfactants; the physical and chemical properties of surfactants and micelles; solubilization in aqueous micellar systems; and the principles of

Fundamental concepts in heterogeneous catalysis

CERN Document Server

Norskov, Jens K; Abild-Pedersen, Frank; Bligaard, Thomas

2014-01-01

This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts.   Features include:First comprehensive description of modern theory of heterogeneous catalysisBasis for understanding and designing experiments in the field   Allows reader to understand catalyst design principlesIntroduction to important elements of energy transformation technologyTest driven at Stanford University over several semesters

Converting homogeneous to heterogeneous in electrophilic catalysis using monodisperse metal nanoparticles.

Science.gov (United States)

Witham, Cole A; Huang, Wenyu; Tsung, Chia-Kuang; Kuhn, John N; Somorjai, Gabor A; Toste, F Dean

2010-01-01

A continuing goal in catalysis is to unite the advantages of homogeneous and heterogeneous catalytic processes. To this end, nanoparticles represent a new frontier in heterogeneous catalysis, where this unification can also be supplemented by the ability to obtain new or divergent reactivity and selectivity. We report a novel method for applying heterogeneous catalysts to known homogeneous catalytic reactions through the design and synthesis of electrophilic platinum nanoparticles. These nanoparticles are selectively oxidized by the hypervalent iodine species PhICl(2), and catalyse a range of π-bond activation reactions previously only catalysed through homogeneous processes. Multiple experimental methods are used to unambiguously verify the heterogeneity of the catalytic process. The discovery of treatments for nanoparticles that induce the desired homogeneous catalytic activity should lead to the further development of reactions previously inaccessible in heterogeneous catalysis. Furthermore, a size and capping agent study revealed that Pt PAMAM dendrimer-capped nanoparticles demonstrate superior activity and recyclability compared with larger, polymer-capped analogues.

Converting Homogeneous to Heterogeneous in Electrophilic Catalysis using Monodisperse Metal Nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Witham, Cole A.; Huang, Wenyu; Tsung, Chia-Kuang; Kuhn, John N.; Somorjai, Gabor A.; Toste, F. Dean

2009-10-15

A continuing goal in catalysis is the transformation of processes from homogeneous to heterogeneous. To this end, nanoparticles represent a new frontier in heterogeneous catalysis, where this conversion is supplemented by the ability to obtain new or divergent reactivity and selectivity. We report a novel method for applying heterogeneous catalysts to known homogeneous catalytic reactions through the design and synthesis of electrophilic platinum nanoparticles. These nanoparticles are selectively oxidized by the hypervalent iodine species PhICl{sub 2}, and catalyze a range of {pi}-bond activation reactions previously only homogeneously catalyzed. Multiple experimental methods are utilized to unambiguously verify the heterogeneity of the catalytic process. The discovery of treatments for nanoparticles that induce the desired homogeneous catalytic activity should lead to the further development of reactions previously inaccessible in heterogeneous catalysis. Furthermore, our size and capping agent study revealed that Pt PAMAM dendrimer-capped nanoparticles demonstrate superior activity and recyclability compared to larger, polymer-capped analogues.

Permissive parenting and mental health in college students: Mediating effects of academic entitlement.

Science.gov (United States)

Barton, Alison L; Hirsch, Jameson K

2016-01-01

Student mental health may suffer due to unreasonable expectations associated with academic entitlement; permissive parenting may be one source of these expectations. The authors examined the role of academic entitlement as a mediator of the relationship between permissive parenting and psychological functioning. Participants were 524 undergraduate students at a single institution (52% female; age range = 18-22). Data collection was completed in May 2011. Cross-sectional design. Participants completed online self-report measures of parenting styles, academic entitlement, stress, depressive symptoms, and well-being. Permissive parenting was associated with greater academic entitlement and, in turn, to more perceived stress and poorer mental health. Mother/father differences were found in some cases. Academic entitlement may partially explain why permissive parenting is detrimentally related to mental health for college students. Implications for academic affairs and counseling include helping students develop an appreciation of the role of self-regulation in college success.

Practical Engineering Aspects of Catalysis in Microreactors

Czech Academy of Sciences Publication Activity Database

Křišťál, Jiří; Stavárek, Petr; Vajglová, Zuzana; Vondráčková, Magdalena; Pavlorková, Jana; Jiřičný, Vladimír

2015-01-01

Roč. 41, č. 12 (2015), s. 9357-9371 ISSN 0922-6168. [Pannonian Symposium on Catalysis /12./. Castle Trest, 16.09.2014-20.09.2014] Institutional support: RVO:67985858 Keywords : heterogeneous catalysis * homogeneous catalysis * photo catalysis Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.833, year: 2015

Catalysis seen in action

NARCIS (Netherlands)

Tromp, M.

2015-01-01

Synchrotron radiation techniques are widely applied in materials research and heterogeneous catalysis. In homogeneous catalysis, its use so far is rather limited despite its high potential. Here, insights in the strengths and limitations of X-ray spectroscopy technique in the field of homogeneous

Catalysis by metal-organic frameworks: fundamentals and opportunities.

Science.gov (United States)

Ranocchiari, Marco; van Bokhoven, Jeroen Anton

2011-04-14

Crystalline porous materials are extremely important for developing catalytic systems with high scientific and industrial impact. Metal-organic frameworks (MOFs) show unique potential that still has to be fully exploited. This perspective summarizes the properties of MOFs with the aim to understand what are possible approaches to catalysis with these materials. We categorize three classes of MOF catalysts: (1) those with active site on the framework, (2) those with encapsulated active species, and (3) those with active sites attached through post-synthetic modification. We identify the tunable porosity, the ability to fine tune the structure of the active site and its environment, the presence of multiple active sites, and the opportunity to synthesize structures in which key-lock bonding of substrates occurs as the characteristics that distinguish MOFs from other materials. We experience a unique opportunity to imagine and design heterogeneous catalysts, which might catalyze reactions previously thought impossible.

Combination of sunlight irradiated oxidative processes for landfill leachate: heterogeneous catalysis (TiO2 versus homogeneous catalysis (H2O2

Directory of Open Access Journals (Sweden)

Oswaldo Luiz Cobra Guimarães

2013-04-01

Full Text Available The objective of this work was to study the treatment of landfill leachate liquid in nature, after the use of a combination of advanced oxidation processes. More specifically, it compared heterogeneous catalysis with TiO2 to homogeneous catalysis with H2O2, both under photo-irradiated sunlight. The liquid used for the study was the leachate from the landfill of the city of Cachoeira Paulista, São Paulo State, Brazil. The experiments were conducted in a semi-batch reactor open to the absorption of solar UV radiation, with 120 min reaction time. The factors and their respective levels (-1, 0 and 1 were distributed in a experimental design 24-1 with duplicate and triplicate in the central point, resulting in an array with 19 treatment trials. The studied factors in comparing the two catalytic processes were: liquid leachate dilution, TiO2 concentration on the reactor plate, the H2O2 amount and pH level. The leachate had low photo-catalytic degradability, with NOPC reductions ranging from 1% to a maximum of 24.9%. When considering each factor alone, neither homogeneous catalysis with H2O2, nor heterogeneous catalysis with TiO2, could degrade the percolated liquid without significant reductions (5% level in total NOPC. On the other hand, the combined use of homogenous catalysis with H2O2 and heterogeneous catalysis H2O2 resulted in the greatest reductions in NOPC. The optimum condition for the NOPC reduction was obtained at pH 7, dilution of percolated:water at 1:1 (v v-1 rate; excess of 12.5% H2O2 and coating plate reactor with 0.025 g cm-2 TiO2.

Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase.

Science.gov (United States)

Luk, Louis Y P; Ruiz-Pernía, J Javier; Adesina, Aduragbemi S; Loveridge, E Joel; Tuñón, Iñaki; Moliner, Vincent; Allemann, Rudolf K

2015-07-27

Chemical ligation has been used to alter motions in specific regions of dihydrofolate reductase from E. coli and to investigate the effects of localized motional changes on enzyme catalysis. Two isotopic hybrids were prepared; one with the mobile N-terminal segment containing heavy isotopes ((2) H, (13) C, (15) N) and the remainder of the protein with natural isotopic abundance, and the other one with only the C-terminal segment isotopically labeled. Kinetic investigations indicated that isotopic substitution of the N-terminal segment affected only a physical step of catalysis, whereas the enzyme chemistry was affected by protein motions from the C-terminal segment. QM/MM studies support the idea that dynamic effects on catalysis mostly originate from the C-terminal segment. The use of isotope hybrids provides insights into the microscopic mechanism of dynamic coupling, which is difficult to obtain with other studies, and helps define the dynamic networks of intramolecular interactions central to enzyme catalysis. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis.

Science.gov (United States)

Gawande, Manoj B; Goswami, Anandarup; Felpin, François-Xavier; Asefa, Tewodros; Huang, Xiaoxi; Silva, Rafael; Zou, Xiaoxin; Zboril, Radek; Varma, Rajender S

2016-03-23

The applications of copper (Cu) and Cu-based nanoparticles, which are based on the earth-abundant and inexpensive copper metal, have generated a great deal of interest in recent years, especially in the field of catalysis. The possible modification of the chemical and physical properties of these nanoparticles using different synthetic strategies and conditions and/or via postsynthetic chemical treatments has been largely responsible for the rapid growth of interest in these nanomaterials and their applications in catalysis. In addition, the design and development of novel support and/or multimetallic systems (e.g., alloys, etc.) has also made significant contributions to the field. In this comprehensive review, we report different synthetic approaches to Cu and Cu-based nanoparticles (metallic copper, copper oxides, and hybrid copper nanostructures) and copper nanoparticles immobilized into or supported on various support materials (SiO2, magnetic support materials, etc.), along with their applications in catalysis. The synthesis part discusses numerous preparative protocols for Cu and Cu-based nanoparticles, whereas the application sections describe their utility as catalysts, including electrocatalysis, photocatalysis, and gas-phase catalysis. We believe this critical appraisal will provide necessary background information to further advance the applications of Cu-based nanostructured materials in catalysis.

Isotopes in heterogeneous catalysis

CERN Document Server

Hargreaves, Justin SJ

2006-01-01

The purpose of this book is to review the current, state-of-the-art application of isotopic methods to the field of heterogeneous catalysis. Isotopic studies are arguably the ultimate technique in in situ methods for heterogeneous catalysis. In this review volume, chapters have been contributed by experts in the field and the coverage includes both the application of specific isotopes - Deuterium, Tritium, Carbon-14, Sulfur-35 and Oxygen-18 - as well as isotopic techniques - determination of surface mobility, steady state transient isotope kinetic analysis, and positron emission profiling.

Tandem catalysis: a new approach to polymers.

Science.gov (United States)

Robert, Carine; Thomas, Christophe M

2013-12-21

The creation of polymers by tandem catalysis represents an exciting frontier in materials science. Tandem catalysis is one of the strategies used by Nature for building macromolecules. Living organisms generally synthesize macromolecules by in vivo enzyme-catalyzed chain growth polymerization reactions using activated monomers that have been formed within cells during complex metabolic processes. However, these biological processes rely on highly complex biocatalysts, thus limiting their industrial applications. In order to obtain polymers by tandem catalysis, homogeneous and enzyme catalysts have played a leading role in the last two decades. In the following feature article, we will describe selected published efforts to achieve these research goals.

Monopole catalysis: an overview

International Nuclear Information System (INIS)

Dawson, S.

1983-11-01

A summary of the talks presented in the topological workshop on monopole catalysis at this conference is given. We place special emphasis on the conservation laws which determine the allowed monopole-fermion interactions and on catalysis as a probe of the structure of a grand unified theory. 11 references

UV Catalysis, Cyanotype Photography, and Sunscreens

Science.gov (United States)

Lawrence, Glen D.; Fishelson, Stuart

1999-09-01

This laboratory experiment is intended for a chemistry course for non-science majors. The experiment utilizes one of the earliest photographic processes, the cyanotype process, to demonstrate UV catalysis of chemical reactions. In addition to making photographic prints from negatives, the process can be used to test the effectiveness of sunscreens and the relative efficacy of the SPF (sun protection factor) rating of sunscreens. This is an inexpensive process, requiring solutions of ammonium ferric citrate and potassium ferricyanide, with options to use hydrogen peroxide and ammonium hydroxide solutions. Students can prepare their own UV-sensitized paper with the indicated chemicals and watch the photographic image appear as it is exposed to sunlight or fluorescent UV lamps in a light box designed for use in this experiment. The laboratory experiment should stimulate discussion of UV catalysis, photographic processes and photochemistry, sunscreens, and UV damage to biological organisms. The chemicals used are relatively nontoxic, and the procedure is simple enough to be used by groups of diverse ages and abilities.

Characterization techniques for graphene-based materials in catalysis

Directory of Open Access Journals (Sweden)

Maocong Hu

2017-06-01

Full Text Available Graphene-based materials have been studied in a wide range of applications including catalysis due to the outstanding electronic, thermal, and mechanical properties. The unprecedented features of graphene-based catalysts, which are believed to be responsible for their superior performance, have been characterized by many techniques. In this article, we comprehensively summarized the characterization methods covering bulk and surface structure analysis, chemisorption ability determination, and reaction mechanism investigation. We reviewed the advantages/disadvantages of different techniques including Raman spectroscopy, X-ray photoelectron spectroscopy (XPS, Fourier transform infrared spectroscopy (FTIR and Diffuse Reflectance Fourier Transform Infrared Spectroscopy (DRIFTS, X-Ray diffraction (XRD, X-ray absorption near edge structure (XANES and X-ray absorption fine structure (XAFS, atomic force microscopy (AFM, scanning electron microscopy (SEM, transmission electron microscopy (TEM, high-resolution transmission electron microscopy (HRTEM, ultraviolet-visible spectroscopy (UV-vis, X-ray fluorescence (XRF, inductively coupled plasma mass spectrometry (ICP, thermogravimetric analysis (TGA, Brunauer–Emmett–Teller (BET, and scanning tunneling microscopy (STM. The application of temperature-programmed reduction (TPR, CO chemisorption, and NH3/CO2-temperature-programmed desorption (TPD was also briefly introduced. Finally, we discussed the challenges and provided possible suggestions on choosing characterization techniques. This review provides key information to catalysis community to adopt suitable characterization techniques for their research.

bond activation and catalysis by Ru -pac complexes

Indian Academy of Sciences (India)

and their reactivity towards oxidation of a few organic compounds. Keywords. Kinetics; catalysis; -O–O- bond activation; Ru-pac complex; oxidation. 1. Introduction. Ru-pac complexes exhibit catalytic properties,1 in homogeneous conditions in the presence of oxygen atom donors, that mimic the biological enzymatic oxi-.

Keynotes in energy-related catalysis

CERN Document Server

Kaliaguine, S

2011-01-01

Catalysis by solid acids, which includes (modified) zeolites, is of special relevance to energy applications. Acid catalysis is highly important in modern petroleum refining operations - large-scale processes such as fluid catalytic cracking, catalytic reforming, alkylation and olefin oligomerization rely on the transformation of hydrocarbons by acid catalysts. (Modified) zeolites are therefore essential for the improvement of existing processes and for technical innovations in the conversion of crude. There can be little doubt that zeolite-based catalysts will play a major role in the futu

Cheese whey protein recovery by ultrafiltration through transglutaminase (TG) catalysis whey protein cross-linking.

Science.gov (United States)

Wen-Qiong, Wang; Lan-Wei, Zhang; Xue, Han; Yi, Lu

2017-01-15

In whey ultrafiltration (UF) production, two main problems are whey protein recovery and membrane fouling. In this study, membrane coupling protein transglutaminase (TG) catalysis protein cross-linking was investigated under different conditions to find out the best treatment. We found that the optimal conditions for protein recovery involved catalyzing whey protein cross-linking with TG (40U/g whey proteins) at 40°C for 60min at pH 5.0. Under these conditions, the recovery rate was increased 15-20%, lactose rejection rate was decreased by 10%, and relative permeate flux was increase 30-40% compared to the sample without enzyme treatment (control). It was noticeable that the total resistance and cake resistance were decreased after enzyme catalysis. This was mainly due to the increased particle size and decreased zeta potential. Therefore, membrane coupling enzyme catalysis protein cross-linking is a potential means for further use. Copyright © 2016. Published by Elsevier Ltd.

Catalysis of Supramolecular Hydrogelation

NARCIS (Netherlands)

Trausel, F.; Versluis, F.; Maity, C.; Poolman, J.M.; Lovrak, M.; van Esch, J.H.; Eelkema, R.

2016-01-01

ConspectusOne often thinks of catalysts as chemical tools to accelerate a reaction or to have a reaction run under more benign conditions. As such, catalysis has a role to play in the chemical industry and in lab scale synthesis that is not to be underestimated. Still, the role of catalysis in

FATTY ACID ETHYL ESTERS FROM MICROALGAE OF Scenedesmus ecornis BY ENZYMATIC AND ACID CATALYSIS

Directory of Open Access Journals (Sweden)

Gabryelle F. de Almeida

Full Text Available Microalgae are an indispensable food source for the various growth stages of mollusks, crustaceans, and several fish species. Using a microalgae biomass present in the Amazonian ecosystem (Macapá-AP, we study extraction methods for fatty acid such as solvent extraction (magnetic stirring and/or Soxhlet and/or hydrolysis (acid and/or enzymatic catalysis followed by esterification and/or direct transesterification. Extraction of crude triacylglycerides by mechanical stirring at room temperature was more efficient than continuous reflux (Soxhlet. Subsequently, the lipid extract was subject to transesterification with ethanol and CAL-B as a biocatalyst, leading to production of fatty acid ethyl esters (FAEE. Additionally, FAEEs were prepared by hydrolysis of crude triacylglycerides followed by acid-mediated esterification or enzymatic catalysis (lipase. In this case, the type of catalyst did not significantly influence FAEE yields. In the lipid extract, we identified palmitic, linoleic, oleic, and stearic acids with palmitic acid being the most abundant. Our results suggest that enzymatic catalysis is a viable method for the extraction of lipids in the microalga, Scenedesmus ecornis.

Hydrogen Tunneling Links Protein Dynamics to Enzyme Catalysis

Science.gov (United States)

Klinman, Judith P.; Kohen, Amnon

2014-01-01

The relationship between protein dynamics and function is a subject of considerable contemporary interest. Although protein motions are frequently observed during ligand binding and release steps, the contribution of protein motions to the catalysis of bond making/breaking processes is more difficult to probe and verify. Here, we show how the quantum mechanical hydrogen tunneling associated with enzymatic C–H bond cleavage provides a unique window into the necessity of protein dynamics for achieving optimal catalysis. Experimental findings support a hierarchy of thermodynamically equilibrated motions that control the H-donor and -acceptor distance and active-site electrostatics, creating an ensemble of conformations suitable for H-tunneling. A possible extension of this view to methyl transfer and other catalyzed reactions is also presented. The impact of understanding these dynamics on the conceptual framework for enzyme activity, inhibitor/drug design, and biomimetic catalyst design is likely to be substantial. PMID:23746260

Extremely efficient catalysis of carbon-carbon bond formation using "click" dendrimer-stabilized palladium nanoparticles.

Science.gov (United States)

Astruc, Didier; Ornelas, Cátia; Diallo, Abdou K; Ruiz, Jaime

2010-07-20

This article is an account of the work carried out in the authors' laboratory illustrating the usefulness of dendrimer design for nanoparticle palladium catalysis. The "click" synthesis of dendrimers constructed generation by generation by 1-->3 C connectivity, introduces 1,2,3-triazolyl ligands insides the dendrimers at each generation. Complexation of the ligands by Pd(II) followed by reduction to Pd(0) forms dendrimer-stabilized Pd nanoparticles (PdNPs) that are extremely reactive in the catalysis of olefin hydrogenation and C-C bond coupling reactions. The stabilization can be outer-dendritic for the small zeroth-generation dendrimer or intra-dendritic for the larger first- and second-generation dendrimers. The example of the Miyaura-Suzuki reaction that can be catalyzed by down to 1 ppm of PdNPs with a "homeopathic" mechanism (the less, the better) is illustrated here, including catalysis in aqueous solvents.

Editorial: Nanoscience makes catalysis greener

KAUST Repository

Polshettiwar, Vivek

2012-01-09

Green chemistry by nanocatalysis: Catalysis is a strategic field of science because it involves new ways of meeting energy and sustainability challenges. The concept of green chemistry, which makes the science of catalysis even more creative, has become an integral part of sustainability. This special issue is at the interface of green chemistry and nanocatalysis, and features excellent background articles as well as the latest research results. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Catalysis for alternative energy generation

CERN Document Server

2012-01-01

Summarizes recent problems in using catalysts in alternative energy generation and proposes novel solutions  Reconsiders the role of catalysis in alternative energy generation  Contributors include catalysis and alternative energy experts from across the globe

Synthesis of Pt-Ru PSB-Py catalysis by {gamma}-irradiation and their electrocatalytic efficiency for methanol oxidation

Energy Technology Data Exchange (ETDEWEB)

Yoon, Jung Ah; Sim, Kwang Sik; Choi, Seong Ho [Hannam University, Daejeon (Korea, Republic of); Jung, Sung Hee [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2009-09-15

We report here that deposition of Pt-Ru catalysis on the surface of core-shell conductive balls by radiation-chemical reduction of Pt and Ru ions, in order to use as catalysis in a fuel cell. The poly(styrene-co-4-vinylphenylboronic acid)-pyrrole (PSB-Py) with core-shell structure was obtained by in situ polymerization of pyrrole in the presence of the poly(styrene-co-4-vinylphenylboronic acid) (PSB). Subsequently, Pt-Ru catalysis were deposited onto PSB-Py ball by {gamma}-irradiation, in the presence/absence of poly(vinypyrolidone) (PVP) to prepare electrocatalysis for a fuel cell. The catalytic efficiency of Pt-Ru PSB-Py catalyst was examined for carbon monoxide (CO) stripping and methanol oxidation.

Synthesis of Pt-Ru PSB-Py catalysis by γ-irradiation and their electrocatalytic efficiency for methanol oxidation

International Nuclear Information System (INIS)

Yoon, Jung Ah; Sim, Kwang Sik; Choi, Seong Ho; Jung, Sung Hee

2009-01-01

We report here that deposition of Pt-Ru catalysis on the surface of core-shell conductive balls by radiation-chemical reduction of Pt and Ru ions, in order to use as catalysis in a fuel cell. The poly(styrene-co-4-vinylphenylboronic acid)-pyrrole (PSB-Py) with core-shell structure was obtained by in situ polymerization of pyrrole in the presence of the poly(styrene-co-4-vinylphenylboronic acid) (PSB). Subsequently, Pt-Ru catalysis were deposited onto PSB-Py ball by γ-irradiation, in the presence/absence of poly(vinypyrolidone) (PVP) to prepare electrocatalysis for a fuel cell. The catalytic efficiency of Pt-Ru PSB-Py catalyst was examined for carbon monoxide (CO) stripping and methanol oxidation

[Prediction of common buffer catalysis in hydrolysis of fenchlorazole-ethyl].

Science.gov (United States)

Lin, Jing; Chen, Jing-wen; Zhang, Si-yu; Cai, Xi-yun; Qiao, Xian-liang

2008-09-01

The purpose of this study was to elucidate the effects of temperatures, pH levels and buffer catalysis on the hydrolysis of FCE. The hydrolysis of FCE follows first-order kinetics at different pH levels and temperatures. FCE hydrolysis rates are greatly increased at elevated pH levels and temperatures. The maximum contribution of buffer catalysis to the hydrolysis of FCE was assessed based on application of the Bronsted equations for general acid-base catalysis. The results suggest that the buffer solutions play an obvious catalysis role in hydrolysis of FCE and the hydrolysis rates of FCE are quickened by the buffer solutions. Besides, the buffer catalysis capacity of different buffer solutions is diverse, and the buffer catalysis capacity at different pH levels with the same buffer solutions is different, too. The phosphate buffer at pH = 7 shows the maximal buffer catalysis capacity. The hydrolysis rate constants of FCE as a function of temperature and pH, which were remedied by the buffer catalysis factor, were mathematically combined to predict the hydrolytic dissipation of FCE. The equation suggests that the hydrolysis half-lives of FCE ranged from 7 d to 790 d. Hydrolysis metabolites of FCE were identified by liquid chromatography-mass spectrometry. In basic conditions (pH 8-10), fenchlorazole was formed via breakdown of the ester bond of the safener.

Nano catalysis: Academic Discipline and Industrial Realities

International Nuclear Information System (INIS)

Olveira, S.; Forster, S.P.; Seeger, S.

2014-01-01

Nano technology plays a central role in both academic research and industrial applications. Nano enabled products are not only found in consumer markets, but also importantly in business to business markets (B2B). One of the oldest application areas of nano technology is nano catalysis—an excellent example for such a B2 B market. Several existing reviews illustrate the scientific developments in the field of nano catalysis. The goal of the present review is to provide an up-to-date picture of academic research and to extend this picture by an industrial and economic perspective. We therefore conducted an extensive search on several scientific databases and we further analyzed more than 1,500 nano catalysis-related patents and numerous market studies. We found that scientists today are able to prepare nano catalysts with superior characteristics regarding activity, selectivity, durability, and recoverability, which will contribute to solve current environmental, social, and industrial problems. In industry, the potential of nano catalysis is recognized, clearly reflected by the increasing number of nano catalysis-related patents and products on the market. The current nano catalysis research in academic and industrial laboratories will therefore enable a wealth of future applications in the industry

Next-Generation Catalysis for Renewables: Combining Enzymatic with Inorganic Heterogeneous Catalysis for Bulk Chemical Production

DEFF Research Database (Denmark)

Vennestrøm, Peter Nicolai Ravnborg; Christensen, C.H.; Pedersen, S.

2010-01-01

chemical platform under different conditions than those conventionally employed. Indeed, new process and catalyst concepts need to be established. Both enzymatic catalysis (biocatalysis) and heterogeneous inorganic catalysis are likely to play a major role and, potentially, be combined. One type...... of combination involves one-pot cascade catalysis with active sites from bio- and inorganic catalysts. In this article the emphasis is placed specifically on oxidase systems involving the coproduction of hydrogen peroxide, which can be used to create new in situ collaborative oxidation reactions for bulk...

System 80+{trademark} Standard Design: CESSAR design certification. Volume 11: Amendment I

Energy Technology Data Exchange (ETDEWEB)

1990-12-21

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80{sup +}{trademark} Standard Design. This volume 11 discusses Radiation Protection, Conduct of Operations, and the Initial Test Program.

75 FR 45583 - New York: Incorporation by Reference of State Hazardous Waste Management Program

Science.gov (United States)

2010-08-03

...: Incorporation by Reference of State Hazardous Waste Management Program AGENCY: Environmental Protection Agency... authorized hazardous waste program which is set forth in the regulations entitled ``Approved State Hazardous Waste Management Programs'', New York's authorized hazardous waste program. EPA will incorporate by...

42 CFR 31.2 - Persons entitled to treatment.

Science.gov (United States)

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false Persons entitled to treatment. 31.2 Section 31.2... Public Health Service § 31.2 Persons entitled to treatment. To the extent and under the circumstances... treatment and hospitalization by the Service: (a) Coast Guard. (1) Commissioned officers, chief warrant...

Specific acid catalysis and Lewis acid catalysis of Diels–Alder reactions in aqueous media

NARCIS (Netherlands)

Mubofu, Egid B.; Engberts, Jan B.F.N.

2004-01-01

A comparative study of specific acid catalysis and Lewis acid catalysis of Diels–Alder reactions between dienophiles (1, 4 and 6) and cyclopentadiene (2) in water and mixed aqueous media is reported. The reactions were performed in water with copper(II) nitrate as the Lewis acid catalyst whereas

Specific acid catalysis and Lewis acid catalysis of Diels-Alder reactions in aqueous media

NARCIS (Netherlands)

Mubofu, E.B.; Engberts, J.B.F.N.

A comparative study of specific acid catalysis and Lewis acid catalysis of Diells-Alder reactions between dienophiles (1, 4 and 6) and cyclopentadiene (2) in water and mixed aqueous media is reported. The reactions were performed in water with copper(II) nitrate as the Lewis acid catalyst whereas

Heterogeneous Catalysis of Polyoxometalate Based Organic–Inorganic Hybrids

Directory of Open Access Journals (Sweden)

Yuanhang Ren

2015-03-01

Full Text Available Organic–inorganic hybrid polyoxometalate (POM compounds are a subset of materials with unique structures and physical/chemical properties. The combination of metal-organic coordination complexes with classical POMs not only provides a powerful way to gain multifarious new compounds but also affords a new method to modify and functionalize POMs. In parallel with the many reports on the synthesis and structure of new hybrid POM compounds, the application of these compounds for heterogeneous catalysis has also attracted considerable attention. The hybrid POM compounds show noteworthy catalytic performance in acid, oxidation, and even in asymmetric catalytic reactions. This review summarizes the design and synthesis of organic–inorganic hybrid POM compounds and particularly highlights their recent progress in heterogeneous catalysis.

Asymmetric cation-binding catalysis

DEFF Research Database (Denmark)

Oliveira, Maria Teresa; Lee, Jiwoong

2017-01-01

The employment of metal salts is quite limited in asymmetric catalysis, although it would provide an additional arsenal of safe and inexpensive reagents to create molecular functions with high optical purity. Cation chelation by polyethers increases the salts' solubility in conventional organic...... solvents, thus increasing their applicability in synthesis. The expansion of this concept to chiral polyethers led to the emergence of asymmetric cation-binding catalysis, where chiral counter anions are generated from metal salts, particularly using BINOL-based polyethers. Alkali metal salts, namely KF...... highly enantioselective silylation reactions in polyether-generated chiral environments, and leading to a record-high turnover in asymmetric organocatalysis. This can lead to further applications by the asymmetric use of other inorganic salts in various organic transformations....

Cosmic strings and baryon decay catalysis

Energy Technology Data Exchange (ETDEWEB)

Gregory, R.; Perkins, W.B.; Davis, A.C.; Brandenberger, R.H. (Fermi National Accelerator Lab., Batavia, IL (USA); Cambridge Univ. (UK); Brown Univ., Providence, RI (USA). Dept. of Physics)

1989-09-01

Cosmic strings, like monopoles, can catalyze proton decay. For integer charged fermions, the cross section for catalysis is not amplified, unlike in the case of monopoles. We review the catalysis processes both in the free quark and skyrmion pictures and discuss the implications for baryogenesis. We present a computation of the cross section for monopole catalyzed skyrmion decay using classical physics. We also discuss some effects which can screen catalysis processes. 32 refs., 1 fig.

Cosmic strings and baryon decay catalysis

International Nuclear Information System (INIS)

Gregory, R.; Perkins, W.B.; Davis, A.C.; Brandenberger, R.H.; Cambridge Univ.; Brown Univ., Providence, RI

1989-09-01

Cosmic strings, like monopoles, can catalyze proton decay. For integer charged fermions, the cross section for catalysis is not amplified, unlike in the case of monopoles. We review the catalysis processes both in the free quark and skyrmion pictures and discuss the implications for baryogenesis. We present a computation of the cross section for monopole catalyzed skyrmion decay using classical physics. We also discuss some effects which can screen catalysis processes. 32 refs., 1 fig

CATALYSIS OF CHEMICAL PROCESSES: PARTICULAR ...

African Journals Online (AJOL)

IICBA01

secondary/high schools and universities, the inhibition of the chemical reactions is frequently ... As a result, the lesson catalysis is frequently included in chemistry education curricula at ... Misinterpretations in teaching and perception of catalysis ... profile is shown as a dependence of energy on reaction progress, without ...

Spectroscopy in catalysis : an introduction

NARCIS (Netherlands)

Niemantsverdriet, J.W.

2007-01-01

Spectroscopy in Catalysis is an introduction to the most important analytical techniques that are nowadays used in catalysis and in catalytic surface chemistry. The aim of the book is to give the reader a feeling for the type of information that characterization techniques provide about questions

LDRD 2013 Annual Report: Laboratory Directed Research and Development Program Activities

Energy Technology Data Exchange (ETDEWEB)

Bookless, W. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2013-12-31

This LDRD project establishes a research program led by Jingguang Chen, who has started a new position as a Joint Appointee between BNL and Columbia University as of FY2013. Under this project, Dr. Chen will establish a new program in catalysis science at BNL and Columbia University. The LDRD program will provide initial research funding to start research at both BNL and Columbia. At BNL, Dr. Chen will initiate laboratory research, including hiring research staff, and will collaborate with the existing BNL catalysis and electrocatalysis research groups. At Columbia, a subcontract to Dr. Chen will provide startup funding for his laboratory research, including initial graduate student costs. The research efforts will be linked under a common Catalysis Program in Sustainable Fuels. The overall impact of this project will be to strengthen the BNL catalysis science program through new linked research thrusts and the addition of an internationally distinguished catalysis scientist.

Designing health promotion programs by watching the market.

Science.gov (United States)

Gelb, B D; Bryant, J M

1992-03-01

More health care providers and payors are beginning to see health promotion programs as a significant tool for attracting patients, reducing costs, or both. To help design programs that take into account the values and lifestyles of the target group, naturalistic observation can be useful. The authors illustrate the approach in a study of pipeline workers that provided input for the design of nutrition and smoking cessation programs.

Original article Entitlement and subjective well-being: a three-nations study

Directory of Open Access Journals (Sweden)

Magdalena Żemojtel-Piotrowska

2015-03-01

Full Text Available Background The current study investigated the role of three facets of entitlement (active, passive and revenge in various forms of subjective well-being (SWB: hedonistic and two facets of eudaimonic well-being (social and psychological. Social well-being was based on Keyes’ model (1998 and psychological well-being on Ryff’s model (1989. Participants and procedure The study was performed in three nations (Poland, Puerto Rico and Vietnam on student samples (Poland, n = 245, Vietnam, n = 115, and Puerto Rico, n = 300. To assess entitlement level the Entitlement Questionnaire was used. The level of hedonistic well-being was measured with the Satisfaction with Life Scale (SWLS and the Positive and Negative Affect Schedule (PANAS, and eudaimonic well-being by the Mental Health Continuum–Short Form (MHC-SF. Results Active entitlement was positively related to all aspects of SWB. Revenge entitlement was negatively related to hedonistic and psychological SWB in all samples and negatively related to social well-being only in Poland. Passive entitlement was unrelated to SWB. Conclusions The current study shows cross-cultural similarities in relationships of entitlement with hedonistic and psychological well-being and cross-cultural differences in the relationship of entitlement with social well-being. Additionally, the study indicates positive meaning of healthy aspects of entitlement for subjective well-being and negative meaning of dysfunctional aspects of entitlement for subjective well-being.

Operando research in heterogeneous catalysis

CERN Document Server

Groot, Irene

2017-01-01

This book is devoted to the emerging field of techniques for visualizing atomic-scale properties of active catalysts under actual working conditions, i.e. high gas pressures and high temperatures. It explains how to understand these observations in terms of the surface structures and dynamics and their detailed interplay with the gas phase. This provides an important new link between fundamental surface physics and chemistry, and applied catalysis. The book explains the motivation and the necessity of operando studies, and positions these with respect to the more traditional low-pressure investigations on the one hand and the reality of industrial catalysis on the other. The last decade has witnessed a rapid development of new experimental and theoretical tools for operando studies of heterogeneous catalysis. The book has a strong emphasis on the new techniques and illustrates how the challenges introduced by the harsh, operando conditions are faced for each of these new tools. Therefore, one can also read th...

42 CFR 31.11 - Persons entitled to treatment.

Science.gov (United States)

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false Persons entitled to treatment. 31.11 Section 31.11... § 31.11 Persons entitled to treatment. To the extent and under the circumstances prescribed in this part, the following persons shall be entitled to medical, surgical, and dental treatment and...

NMR Computational Studies of Solid Acidity/Fundamental Studies of Catalysis by Solid Acids

Energy Technology Data Exchange (ETDEWEB)

James F. Haw

2008-06-28

This project focused on catalysis by zeolites and the synergy of spectroscopic characterization and theoretical modeling. In collaboration with the Waroquier group in Belgium we used state-of-the-art quantum chemical simulations on a supramolecular model of both the HZSM-5 zeolite and the co-catalytic hydrocarbon pool species and calculated a full catalytic cycle (including all rate constants) for methanol-to-olefin (MTO) catalysis involving a hydrocarbon pool species. This work not only represents the most robust computational analysis of a successful MTO route to date, but it also succeeds in tying together the many experimental clues. That work was featured on the cover of Angewandte Chemie. More recently we elucidated several unsuspected roles for formaldehyde in methanol to olefin catalysis. Formaldehyde proves to be a key species responsible for both the growth of the catalytically active hydrocarbon pool and its inevitable aging into deactivated polycyclic aromatic species. The apparent inevitability of formaldehyde formation at high temperatures, in particular in contact with active metal or metal oxide surfaces, may put some fundamental limitations on the economic potential of conversion of methanol to olefins.

Kinetic evolutionary behavior of catalysis-select migration

International Nuclear Information System (INIS)

Wu Yuan-Gang; Lin Zhen-Quan; Ke Jian-Hong

2012-01-01

We propose a catalysis-select migration driven evolution model of two-species (A- and B-species) aggregates, where one unit of species A migrates to species B under the catalysts of species C, while under the catalysts of species D the reaction will become one unit of species B migrating to species A. Meanwhile the catalyst aggregates of species C perform self-coagulation, as do the species D aggregates. We study this catalysis-select migration driven kinetic aggregation phenomena using the generalized Smoluchowski rate equation approach with C species catalysis-select migration rate kernel K(k;i,j) = Kkij and D species catalysis-select migration rate kernel J(k;i,j)= Jkij. The kinetic evolution behaviour is found to be dominated by the competition between the catalysis-select immigration and emigration, in which the competition is between JD 0 and KC 0 (D 0 and C 0 are the initial numbers of the monomers of species D and C, respectively). When JD 0 −KC 0 > 0, the aggregate size distribution of species A satisfies the conventional scaling form and that of species B satisfies a modified scaling form. And in the case of JD 0 −KC 0 0 −KC 0 > 0 case. (interdisciplinary physics and related areas of science and technology)

43 CFR 426.5 - Ownership entitlement.

Science.gov (United States)

2010-10-01

... nonexempt land; (ii) Married couples who hold equal interests are entitled to receive irrigation water on a... entitled to receive irrigation water on that land owned jointly in marriage up to a maximum of 320 acres of... tenant, provided each tenant holds an equal interest in the tenancy; (vi) Partnerships subject to prior...

20 CFR 725.219 - Duration of entitlement; child.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Duration of entitlement; child. 725.219... of entitlement; child. (a) An individual is entitled to benefits as a child for each month beginning... month in which any one of the following events first occurs: (1) The child dies; (2) The child marries...

20 CFR 725.218 - Conditions of entitlement; child.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Conditions of entitlement; child. 725.218... Conditions of entitlement; child. (a) An individual is entitled to benefits where he or she meets the... the child of a deceased miner who: (1) Was receiving benefits under section 415 or part C of title IV...

20 CFR 410.212 - Conditions of entitlement; child.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Conditions of entitlement; child. 410.212...; Filing of Claims and Evidence § 410.212 Conditions of entitlement; child. (a) An individual is entitled to benefits if such individual: (1) Is the child or stepchild (see § 410.330) of (i) a deceased miner...

20 CFR 410.213 - Duration of entitlement; child.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Duration of entitlement; child. 410.213...; Filing of Claims and Evidence § 410.213 Duration of entitlement; child. (a) An individual is entitled to benefits as a child for each month beginning with the first month in which all of the conditions of...

A General Ligand Design for Gold Catalysis allowing Ligand-Directed Anti Nucleophilic Attack of Alkynes

Science.gov (United States)

Wang, Yanzhao; Wang, Zhixun; Li, Yuxue; Wu, Gongde; Cao, Zheng; Zhang, Liming

2014-01-01

Most homogenous gold catalyses demand ≥0.5 mol % catalyst loading. Due to the high cost of gold, these reactions are unlikely to be applicable in medium or large scale applications. Here we disclose a novel ligand design based on the privileged biphenyl-2-phosphine framework that offers a potentially general approach to dramatically lowering catalyst loading. In this design, an amide group at the 3’ position of the ligand framework directs and promotes nucleophilic attack at the ligand gold complex-activated alkyne, which is unprecedented in homogeneous gold catalysis considering the spatial challenge of using ligand to reach antiapproaching nucleophile in a linear P-Au-alkyne centroid structure. With such a ligand, the gold(I) complex becomes highly efficient in catalyzing acid addition to alkynes, with a turnover number up to 99,000. Density functional theory calculations support the role of the amide moiety in directing the attack of carboxylic acid via hydrogen bonding. PMID:24704803

75 FR 45489 - New York: Incorporation by Reference of State Hazardous Waste Management Program

Science.gov (United States)

2010-08-03

...: Incorporation by Reference of State Hazardous Waste Management Program AGENCY: Environmental Protection Agency... (EPA) to authorize States to operate their hazardous waste management programs in lieu of the Federal program. EPA uses the regulations entitled ``Approved State Hazardous Waste Management Programs'' to...

Cooperative catalysis by silica-supported organic functional groups

OpenAIRE

Margelefsky, Eric L.; Zeidan, Ryan K.; Davis, Mark E.

2008-01-01

Hybrid inorganic–organic materials comprising organic functional groups tethered from silica surfaces are versatile, heterogeneous catalysts. Recent advances have led to the preparation of silica materials containing multiple, different functional groups that can show cooperative catalysis; that is, these functional groups can act together to provide catalytic activity and selectivity superior to what can be obtained from either monofunctional materials or homogeneous catalysts. This tutorial...

Academic Entitlement and Academic Performance in Graduating Pharmacy Students

OpenAIRE

Jeffres, Meghan N.; Barclay, Sean M.; Stolte, Scott K.

2014-01-01

Objectives. To determine a measurable definition of academic entitlement, measure academic entitlement in graduating doctor of pharmacy (PharmD) students, and compare the academic performance between students identified as more or less academically entitled.

Supported Ionic Liquid Phase (SILP) catalysis

DEFF Research Database (Denmark)

Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco

2006-01-01

Applications of ionic liquids to replace conventional solvents in homogeneous transition-metal catalysis have increased significantly during the last decade. Biphasic ionic liquid/organic liquid systems offer advantages with regard to product separation, catalyst stability, and recycling...... but utilise in the case of fast chemical reactions only a small amount of expensive ionic liquid and catalyst. The novel Supported Ionic Liquid Phase (SILP) catalysis concept overcomes these drawbacks and allows the use of fixed-bed reactors for continuous reactions. In this Microreview the SILP catalysis...

DMA Modern Programming Environment Study.

Science.gov (United States)

1980-01-01

capabilities. The centers are becoming increasingly dependent upon the computer and digital data in the fulfillment of MC&G goals. Successful application...ftticrcsrccessors C140 by Herbert AlteroDigital Citmmuncaticns C141 0 Structuredl Design ’-:orkshocr by Ned Chapin KC 156o Digital Systems En17lrceriirg CC 139 o3...on a programming environment. The study, which resulted in production of a paper entitled An EXEC 8 Programming Support Libary , contends that most of

Pop-It Beads to Introduce Catalysis of Reaction Rate and Substrate Depletion Effects

Science.gov (United States)

Gehret, Austin U.

2017-01-01

A kinesthetic classroom activity was designed to help students understand enzyme activity and catalysis of reaction rate. Students served the role of enzymes by manipulating Pop-It Beads as the catalytic event. This activity illuminates the relationship between reaction rate and reaction progress by allowing students to experience first-hand the…

New Tools for CO2 Fixation by Homogeneous Catalysis - Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Jessop, Phillip G.

2006-01-20

The overall goal is the development of new or more efficient methods for the conversion of CO{sub 2} into useful organic products, via the design or discovery of new catalysts, ligands, solvents, and methods. Specific objectives for this funded period: (1) To develop a high-throughput screening technique and use it to develop an efficient catalyst/reagent/solvent system for the synthesis of ureas or carboxylic acids. (2) To use in-situ spectroscopic and kinetic methods to study the mechanism of the synthesis of ureas or carboxylic acids. (3) To develop bifunctional ligands capable of secondary interactions with CO{sub 2}, to detect the interactions, and to demonstrate applications to catalysis.

Thermoswitchable catalysis controlled by reversible dispersion/aggregation change of nanoreactors in the presence of α-CD polymers

Science.gov (United States)

Li, Yinfeng; Hu, Jie; Niu, Chengrong; Leng, Jinghang; Li, Songjun

2018-06-01

The present work was aimed at preparing a thermosensitive nanoreactor system which could adjust its dispersion/aggregation status according to external temperature change to achieve the switchable catalysis. The mesoporous silica nanoparticle (MSNP) was selected as the framework material of the nanoreactor, and Ag nanoparticles were encapsulated in the mesoporous silica by an in situ reaction. Dodecyl groups were introduced onto MSNP surface, which could transform reversibly between complexation and disassociation with α-cyclodextrin (CD) cavity upon temperature change. It was found that the nanoreactors aggregated and the catalysis was effectively switched ‘off’ in the presence of CD polymers at low temperature (20 °C). However, when the temperature increased to 50 °C, the nanoreactors redispersed and catalysis successfully switched ‘on’.

Structural concepts and details for seismic design

International Nuclear Information System (INIS)

Johnson, M.W.; Smietana, E.A.; Murray, R.C.

1991-01-01

As a part of the DOE Natural Phenomena Hazards Program, a new manual has been developed, entitled UCRL-CR-106554, open-quotes Structural Concepts and Details for Seismic Design.close quotes This manual describes and illustrates good practice for seismic-resistant design

77 FR 46964 - Oklahoma: Incorporation by Reference of Approved State Hazardous Waste Management Program

Science.gov (United States)

2012-08-07

...: Incorporation by Reference of Approved State Hazardous Waste Management Program AGENCY: Environmental Protection... Agency (EPA) to authorize States to operate their hazardous waste management programs in lieu of the Federal program. The EPA uses the regulations entitled ``Approved State Hazardous Waste Management...

77 FR 29231 - Oklahoma: Incorporation by Reference of Approved State Hazardous Waste Management Program

Science.gov (United States)

2012-05-17

...: Incorporation by Reference of Approved State Hazardous Waste Management Program AGENCY: Environmental Protection... Agency (EPA) to authorize States to operate their hazardous waste management programs in lieu of the Federal program. The EPA uses the regulations entitled ``Approved State Hazardous Waste Management...

Personality, Self-Regulated Learning, and Academic Entitlement

Science.gov (United States)

McLellan, Chelsea K.; Jackson, Dennis L.

2017-01-01

The current study explored the relation between the Big-Five personality domains, self-regulated learning, and academic entitlement. Academic entitlement is defined as the tendency to possess expectations of unearned academic success, unearned/undeserved academic services, and/or the expectation of unrealistic accommodation (Chowning and Campbell…

Kokes Awards for the 23rd North American Catalysis Society Meeting

Energy Technology Data Exchange (ETDEWEB)

Jacobs, Gary [University of Kentucky Research Foundation, Lexington, KY (United States)

2014-01-31

The Tri-State Catalysis Society awarded 107 Kokes Travel Awards. The program was very successful and to date this was the most Kokes Travel Awards ever awarded at a North American Catalysis Society Meeting. It provided students who merited an award the opportunity to attend the meeting, present a paper in the form of either an oral presentation or a poster presentation, and to serve the North American Catalysis Society by participating in the organization of the meeting. Students worked very hard during the week of the meeting to make it a success. Financial support for the Kokes awards was provided by DOE, NSF, NACS, as well as the Tri-State Catalysis Society, the latter through fund raising activities, and other donations. AT the meeting, each student received over $1050 in kind to offset the costs of registration fees ($260), hotel accommodations ($295.7), transportation ($400 travel allowance), as well as T-shirts ($20), and banquet tickets ($95 provided by donations from society members). In addition, for the first time, students received certificates that were signed by the President of NACS, Professor Enrique Iglesia, and by the Kokes Awards Chair, Gary Jacobs (see last page). A list of meeting co-chairs (i.e., Uschi M. Graham, Umit S. Ozkan, and Madan Bhassin) and the honorary chair (Burtron H. Davis) was also included on the certificate, along with the name of the recipient. The awardees were chosen on a merit-based guideline which also included the requirements of having a presentation accepted at the meeting and being a student at a North American University. The Richard J. Kokes Student Travel Award Committee (Gary Jacobs, Rodney Andrews, and Peter Smirniotis) with help from the Organizing Committee were able to secure money from four sources as detailed in Table 1. As detailed by our Treasurer, Dr. Helge Toufar of Clariant, the total amount spent was $105,000.

EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop

Energy Technology Data Exchange (ETDEWEB)

Campbell, Charles T.; Datye, Abhaya K.; Henkelman, Graeme A.; Lobo, Raul F.; Schneider, William F.; Spicer, Leonard D.; Tysoe, Wilfred T.; Vohs, John M.; Baer, Donald R.; Hoyt, David W.; Thevuthasan, Suntharampillai; Mueller, Karl T.; Wang, Chong M.; Washton, Nancy M.; Lyubinetsky, Igor; Teller, Raymond G.; Andersen, Amity; Govind, Niranjan; Kowalski, Karol; Kabius, Bernd C.; Wang, Hongfei; Campbell, Allison A.; Shelton, William A.; Bylaska, Eric J.; Peden, Charles HF; Wang, Yong; King, David L.; Henderson, Michael A.; Rousseau, Roger J.; Szanyi, Janos; Dohnalek, Zdenek; Mei, Donghai; Garrett, Bruce C.; Ray, Douglas; Futrell, Jean H.; Laskin, Julia; DuBois, Daniel L.; Kuprat, Laura R.; Plata, Charity

2011-05-24

Within the context of significantly accelerating scientific progress in research areas that address important societal problems, a workshop was held in November 2010 at EMSL to identify specific and topically important areas of research and capability needs in catalysis-related science.

Students' guide to program design

CERN Document Server

Robertson, Lesley Anne

1992-01-01

Students' Guide to Program Design is a textbook on program design. This textbook approaches program design by using structures programming techniques and pseudocode to develop a solution algorithm. Divided into 10 chapters, the book begins with a basic explanation of structured programming techniques, top-down development, and modular design. This discussion is followed by detailed concepts of the syntax of pseudocode; methods of defining the problem; the application of basic control structures in the development of the solution algorithm; desk checking techniques; hierarchy charts; and module

Catalysis in the Primordial World

Directory of Open Access Journals (Sweden)

Nenad Raos

2017-11-01

Full Text Available Catalysis provides orderly prebiotic synthesis and eventually its evolution into autocatalytic (self-reproduction systems. Research on homogeneous catalysis is concerned mostly with random peptide synthesis and the chances to produce catalytic peptide oligomers. Synthesis of ribose via formose reaction was found to be catalysed by B(OH4−, presumably released by weathering of borate minerals. Oxide and clay mineral surfaces provide catalytic sites for the synthesis of oligopeptides and oligonucleotides. Chemoautotrophic or iron-sulphur-world theory assumes that the first (pioneer organisms developed by catalytic processes on (Fe/NiS particles formed near/close hydrothermal vents. The review provides an overlay of possible catalytic reactions in prebiotic environment, discussing their selectivity (regioselectivity, stereoselectivity as well as geological availability of catalytic minerals and geochemical conditions enabling catalytic reactions on early Earth.

USD Catalysis Group for Alternative Energy - Final report

Energy Technology Data Exchange (ETDEWEB)

Hoefelmeyer, James

2014-10-03

I. Project Summary Catalytic processes are a major technological underpinning of modern society, and are essential to the energy sector in the processing of chemical fuels from natural resources, fine chemicals synthesis, and energy conversion. Advances in catalyst technology are enormously valuable since these lead to reduced chemical waste, reduced energy loss, and reduced costs. New energy technologies, which are critical to future economic growth, are also heavily reliant on catalysts, including fuel cells and photo-electrochemical cells. Currently, the state of South Dakota is underdeveloped in terms of research infrastructure related to catalysis. If South Dakota intends to participate in significant economic growth opportunities that result from advances in catalyst technology, then this area of research needs to be made a high priority for investment. To this end, a focused research effort is proposed in which investigators from The University of South Dakota (USD) and The South Dakota School of Mines and Technology (SDSMT) will contribute to form the South Dakota Catalysis Group (SDCG). The multidisciplinary team of the (SDCG) include: (USD) Dan Engebretson, James Hoefelmeyer, Ranjit Koodali, and Grigoriy Sereda; (SDSMT) Phil Scott Ahrenkiel, Hao Fong, Jan Puszynski, Rajesh Shende, and Jacek Swiatkiewicz. The group is well suited to engage in a collaborative project due to the resources available within the existing programs. Activities within the SDCG will be monitored through an external committee consisting of three distinguished professors in chemistry. The committee will provide expert advice and recommendations to the SDCG. Advisory meetings in which committee members interact with South Dakota investigators will be accompanied by individual oral and poster presentations in a materials and catalysis symposium. The symposium will attract prominent scientists, and will enhance the visibility of research in the state of South Dakota. The SDCG requests

DOE Laboratory Catalysis Research Symposium - Abstracts

Energy Technology Data Exchange (ETDEWEB)

Dunham, T.

1999-02-01

The conference consisted of two sessions with the following subtopics: (1) Heterogeneous Session: Novel Catalytic Materials; Photocatalysis; Novel Processing Conditions; Metals and Sulfides; Nuclear Magnetic Resonance; Metal Oxides and Partial Oxidation; Electrocatalysis; and Automotive Catalysis. (2) Homogeneous Catalysis: H-Transfer and Alkane Functionalization; Biocatalysis; Oxidation and Photocatalysis; and Novel Medical, Methods, and Catalyzed Reactions.

77 FR 3224 - New Mexico: Incorporation by Reference of State Hazardous Waste Management Program

Science.gov (United States)

2012-01-23

... Mexico: Incorporation by Reference of State Hazardous Waste Management Program AGENCY: Environmental... entitled ``Approved State Hazardous Waste Management Programs,'' New Mexico's authorized hazardous waste... of the State regulations that are authorized and that the EPA will enforce under the Solid Waste...

20 CFR 410.214 - Conditions of entitlement; parent, brother, or sister.

Science.gov (United States)

2010-04-01

... entitlement to brother's benefits may be established for any month before January 1973, based on a disability... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Conditions of entitlement; parent, brother...; Duration of Entitlement; Filing of Claims and Evidence § 410.214 Conditions of entitlement; parent, brother...

Synergistic dual activation catalysis by palladium nanoparticles for epoxide ring opening with phenols.

Science.gov (United States)

Seth, Kapileswar; Roy, Sudipta Raha; Pipaliya, Bhavin V; Chakraborti, Asit K

2013-07-04

Synergistic dual activation catalysis has been devised for epoxide phenolysis wherein palladium nanoparticles induce electrophilic activation via coordination with the epoxide oxygen followed by nucleophilic activation through anion-π interaction with the aromatic ring of the phenol, and water (reaction medium) also renders assistance through 'epoxide-phenol' dual activation.

ISHHC XIII International Symposium on the Relations betweenHomogeneous and Heterogeneous Catalysis

Energy Technology Data Exchange (ETDEWEB)

Somorjai (Ed.), G.A.

2007-06-11

The International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC) has a long and distinguished history. Since 1974, in Brussels, this event has been held in Lyon, France (1977), Groeningen, The Netherlands (1981); Asilomar, California (1983); Novosibirsk, Russia (1986); Pisa, Italy (1989); Tokyo, Japan (1992); Balatonfuered, Hungary (1995); Southampton, United Kingdom (1999); Lyon, France (2001); Evanston, Illinois (2001) and Florence, Italy (2005). The aim of this international conference in Berkeley is to bring together practitioners in the three fields of catalysis, heterogeneous, homogeneous and enzyme, which utilize mostly nanosize particles. Recent advances in instrumentation, synthesis and reaction studies permit the nanoscale characterization of the catalyst systems, often for the same reaction, under similar experimental conditions. It is hoped that this circumstance will permit the development of correlations of these three different fields of catalysis on the molecular level. To further this goal we aim to uncover and focus on common concepts that emerge from nanoscale studies of structures and dynamics of the three types of catalysts. Another area of focus that will be addressed is the impact on and correlation of nanosciences with catalysis. There is information on the electronic and atomic structures of nanoparticles and their dynamics that should have importance in catalyst design and catalytic activity and selectivity.

Catalysis by Dust Grains in the Solar Nebula

Science.gov (United States)

Kress, Monika E.; Tielens, Alexander G. G. M.

1996-01-01

In order to determine whether grain-catalyzed reactions played an important role in the chemistry of the solar nebula, we have applied our time-dependent model of methane formation via Fischer-Tropsch catalysis to pressures from 10(exp -5) to 1 bar and temperatures from 450 to 650 K. Under these physical conditions, the reaction 3H2 + CO yields CH4 + H2O is readily catalyzed by an iron or nickel surface, whereas the same reaction is kinetically inhibited in the gas phase. Our model results indicate that under certain nebular conditions, conversion of CO to methane could be extremely efficient in the presence of iron-nickel dust grains over timescales very short compared to the lifetime of the solar nebula.

Measurement of Psychological Entitlement in 28 Countries

Czech Academy of Sciences Publication Activity Database

Żemojtel-Piotrowska, M.; Piotrowski, J.; Cieciuch, J.; Calogero, R.M.; Van Hiel, A.; Argentero, P.; Baltatescu, S.; Baran, T.; Bardhwaj, G.; Bukowski, M.; Chargazia, M.; Clinton, A.; Halik, M.H.; Ilisko, D.; Khachatryan, N.; Klicperová-Baker, Martina; Košťál, Jaroslav; Kovacs, M.; Letovancova, E.; Liik, K.; Marganski, A.; Michałowski, J.; Nord, I.; Paspalanova, E.; de Leon, P.P.; Techera, J.; Rojas, M.; Różycka, J.; Sawicka, A.; Seibt, B.; Semkiv, I.; Tiliouine, H.; Truong, H.K.; Van den Bos, K.; Wills-Herrera, E.

2017-01-01

Roč. 33, č. 3 (2017), s. 207-217 ISSN 1015-5759 R&D Projects: GA ČR GA15-11062S Institutional support: RVO:68081740 Keywords : psychological entitlement * Entitlement Attitudes Questionnaire * cross-cultural research * measurement invariance Subject RIV: AN - Psychology OBOR OECD: Psychology (including human - machine relations) Impact factor: 2.328, year: 2016 http://econtent.hogrefe.com/doi/abs/10.1027/1015-5759/a000286

2010 CATALYSIS GORDON RESEARCH CONFERENCE, JUNE 27 - JULY 2, 2010, NEW LONDON, NEW HAMPSHIRE

Energy Technology Data Exchange (ETDEWEB)

Abhaya Datye

2010-07-02

Catalysis is a key technology for improving the quality of life while simultaneously reducing the adverse impact of human activities on the environment. The discovery of new catalytic processes and the improvement of existing ones are also critically important for securing the nation's energy supply. The GRC on Catalysis is considered one the most prestigious conference for catalysis research, bringing together leading researchers from both academia, industry and national labs to discuss the latest, most exciting research in catalysis and the future directions for the field. The 2010 GRC on Catalysis will follow time-honored traditions and feature invited talks from the world's leading experts in the fundamentals and applications of catalytic science and technology. We plan to have increased participation from industry. The extended discussions in the company of outstanding thinkers will stimulate and foster new science. The conference will include talks in the following areas: Alternative feedstocks for chemicals and fuels, Imaging and spectroscopy, Design of novel catalysts, Catalyst preparation fundamentals, Molecular insights through theory, Surface Science, Catalyst stability and dynamics. In 2010, the Catalysis conference will move to a larger conference room with a new poster session area that will allow 40 posters per session. The dorm rooms provide single and double accommodations, free WiFi and the registration fee includes all meals and the famous lobster dinner on Thursday night. Afternoons are open to enjoy the New England ambiance with opportunities for hiking, sailing, golf and tennis to create an outstanding conference that will help you network with colleagues, and make long lasting connections.

Organocatalysis: Fundamentals and Comparisons to Metal and Enzyme Catalysis

Directory of Open Access Journals (Sweden)

Pierre Vogel

2016-08-01

Full Text Available Catalysis fulfills the promise that high-yielding chemical transformations will require little energy and produce no toxic waste. This message is carried by the study of the evolution of molecular catalysis of some of the most important reactions in organic chemistry. After reviewing the conceptual underpinnings of catalysis, we discuss the applications of different catalysts according to the mechanism of the reactions that they catalyze, including acyl group transfers, nucleophilic additions and substitutions, and C–C bond forming reactions that employ umpolung by nucleophilic additions to C=O and C=C double bonds. We highlight the utility of a broad range of organocatalysts other than compounds based on proline, the cinchona alkaloids and binaphthyls, which have been abundantly reviewed elsewhere. The focus is on organocatalysts, although a few examples employing metal complexes and enzymes are also included due to their significance. Classical Brønsted acids have evolved into electrophilic hands, the fingers of which are hydrogen donors (like enzymes or other electrophilic moieties. Classical Lewis base catalysts have evolved into tridimensional, chiral nucleophiles that are N- (e.g., tertiary amines, P- (e.g., tertiary phosphines and C-nucleophiles (e.g., N-heterocyclic carbenes. Many efficient organocatalysts bear electrophilic and nucleophilic moieties that interact simultaneously or not with both the electrophilic and nucleophilic reactants. A detailed understanding of the reaction mechanisms permits the design of better catalysts. Their construction represents a molecular science in itself, suggesting that sooner or later chemists will not only imitate Nature but be able to catalyze a much wider range of reactions with high chemo-, regio-, stereo- and enantioselectivity. Man-made organocatalysts are much smaller, cheaper and more stable than enzymes.

Coupling chemical and biological catalysis: a flexible paradigm for producing biobased chemicals.

Science.gov (United States)

Schwartz, Thomas J; Shanks, Brent H; Dumesic, James A

2016-04-01

Advances in metabolic engineering have allowed for the development of new biological catalysts capable of selectively de-functionalizing biomass to yield platform molecules that can be upgraded to biobased chemicals using high efficiency continuous processing allowed by heterogeneous chemical catalysis. Coupling these disciplines overcomes the difficulties of selectively activating COH bonds by heterogeneous chemical catalysis and producing petroleum analogues by biological catalysis. We show that carboxylic acids, pyrones, and alcohols are highly flexible platforms that can be used to produce biobased chemicals by this approach. More generally, we suggest that molecules with three distinct functionalities may represent a practical upper limit on the extent of functionality present in the platform molecules that serve as the bridge between biological and chemical catalysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Advancing Sustainable Catalysis with Magnetite Surface ...

Science.gov (United States)

This article surveys the recent developments in the synthesis, surface modification, and synthetic applications of magnetitenanoparticles. The emergence of iron(II,III) oxide (triiron tetraoxide or magnetite; Fe3O4, or FeO•Fe2O3) nanoparticles as a sustainable support in heterogeneous catalysis is highlighted. Use of an oxide of earth-abundant iron for various applications in catalysis and environmental remediation.

Academic Entitlement in the Context of Learning Styles

Science.gov (United States)

Andrey, Jean; Joakim, Erin; Schoner, Vivian; Hambly, Derrick; Silver, Amber; Jayasundera, Rohan; Nelson, Allen

2012-01-01

This study explores the linkages between students' sense of entitlement and their approaches to learning, based on survey research at a large public university in Canada. Through literature review and pilot testing, a questionnaire instrument was developed that measures four constructs: academic entitlement, deep learning, surface learning and…

The CAT-ACT Beamline at ANKA: A new high energy X-ray spectroscopy facility for CATalysis and ACTinide research

Science.gov (United States)

Zimina, A.; Dardenne, K.; Denecke, M. A.; Grunwaldt, J. D.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Steininger, R.; Vitova, T.

2016-05-01

A new hard X-ray beamline for CATalysis and ACTinide research has been built at the synchrotron radiation facility ANKA. The beamline design is dedicated to X-ray spectroscopy, including ‘flux hungry’ photon-in/photon-out and correlative techniques with a special infrastructure for radionuclide and catalysis research. The CAT-ACT beamline will help serve the growing need for high flux/hard X-ray spectroscopy in these communities. The design, the first spectra and the current status of this project are reported.

77 FR 23193 - Medicare and Medicaid Programs; Electronic Health Record Incentive Program-Stage 2; Corrections

Science.gov (United States)

2012-04-18

..., 413, and 495 [CMS-0044-CN] RIN 0938-AQ84 Medicare and Medicaid Programs; Electronic Health Record... proposed rule entitled ``Medicare and Medicaid Programs; Electronic Health Record Incentive Program--Stage... (77 FR 13698), the proposed rule entitled ``Medicare and Medicaid Programs; Electronic Health Record...

Catalysis and sustainable (green) chemistry

Energy Technology Data Exchange (ETDEWEB)

Centi, Gabriele; Perathoner, Siglinda [Dipartimento di Chimica Industriale ed Ingegneria dei Materiali, University of Messina, Salita Sperone 31, 98166 Messina (Italy)

2003-01-15

Catalysis is a key technology to achieve the objectives of sustainable (green) chemistry. After introducing the concepts of sustainable (green) chemistry and a brief assessment of new sustainable chemical technologies, the relationship between catalysis and sustainable (green) chemistry is discussed and illustrated via an analysis of some selected and relevant examples. Emphasis is also given to the concept of catalytic technologies for scaling-down chemical processes, in order to develop sustainable production processes which reduce the impact on the environment to an acceptable level that allows self-depuration processes of the living environment.

Informing resource-poor populations and the delivery of entitled health and social services in rural India: a cluster randomized controlled trial.

Science.gov (United States)

Pandey, Priyanka; Sehgal, Ashwini R; Riboud, Michelle; Levine, David; Goyal, Madhav

2007-10-24

A lack of awareness about entitled health and social services may contribute to poor delivery of such services in developing countries, especially among individuals of low socioeconomic status. To determine the impact of informing resource-poor rural populations about entitled services. Community-based, cluster randomized controlled trial conducted from May 2004 to May 2005 in 105 randomly selected village clusters in Uttar Pradesh state in India. Households (548 intervention and 497 control) were selected by a systematic sampling design, including both low-caste and mid- to high-caste households. Four to 6 public meetings were held in each intervention village cluster to disseminate information on entitled health services, entitled education services, and village governance requirements. No intervention took place in control village clusters. Visits by nurse midwife; prenatal examinations, tetanus vaccinations, and prenatal supplements received by pregnant women; vaccinations received by infants; excess school fees charged; occurrence of village council meetings; and development work in villages. At baseline, there were no significant differences in self-reported delivery of health and social services. After 1 year, intervention villagers reported better delivery of several services compared with control villagers: in a multivariate analysis, 30% more prenatal examinations (95% confidence interval [CI], 17%-43%; P India about entitled services enhanced the delivery of health and social services among both low- and mid- to high-caste households. Interventions that emphasize educating resource-poor populations about entitled services may improve the delivery of such services. clinicaltrials.gov Identifier: NCT00421291.

Cavity design programs

International Nuclear Information System (INIS)

Nelson, E.M.

1996-01-01

Numerous computer programs are available to help accelerator physicists and engineers model and design accelerator cavities and other microwave components. This article discusses the problems these programs solve and the principles upon which these programs are based. Some examples of how these programs are used in the design of accelerator cavities are also given

3. International conference on catalysis in membrane reactors

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-09-01

The 3. International Conference on Catalysis in Membrane Reactors, Copenhagen, Denmark, is a continuation of the previous conferences held in Villeurbanne 1994 and Moscow 1996 and will deal with the rapid developments taking place within membranes with emphasis on membrane catalysis. The approx. 80 contributions in form of plenary lectures and posters discuss hydrogen production, methane reforming into syngas, selectivity and specificity of various membranes etc. The conference is organised by the Danish Catalytic Society under the Danish Society for Chemical Engineering. (EG)

Academic Entitlement: Relations to Perceptions of Parental Warmth and Psychological Control

Science.gov (United States)

Turner, Lisa A.; McCormick, Wesley H.

2018-01-01

Academic entitlement characterises students who expect positive academic outcomes without personal effort. The current study examined the relations of perceived parental warmth and parental psychological control with two dimensions of academic entitlement (i.e., entitled expectations and externalised responsibility) among college students.…

Kokes Award for the 24th North American Catalysis Society Meeting

Energy Technology Data Exchange (ETDEWEB)

Rioux, Robert M. [Pennsylvania State Univ., University Park, PA (United States)

2016-05-02

The objective of the Richard. J. Kokes Travel Award program is to encourage the participation of students in the biennial North American Catalysis Society (NACS) Meetings. The Kokes Award covers a significant portion of the transportation, lodging, and conference registration costs. Eligible students must be enrolled at a North American university and need to present a paper at the meeting. The Kokes awardee will be required to contribute some time to the organizing committee to assist in meeting operations and to be present at the meeting during the entire time. Similar to the 23rd Kokes Award program, undergraduate students are also eligible for the 24th Kokes Award program.

Regulating the surface of nanoceria and its applications in heterogeneous catalysis

Science.gov (United States)

Ma, Yuanyuan; Gao, Wei; Zhang, Zhiyun; Zhang, Sai; Tian, Zhimin; Liu, Yuxuan; Ho, Johnny C.; Qu, Yongquan

2018-03-01

Ceria (CeO2) as a support, additive, and active component for heterogeneous catalysis has been demonstrated to have great catalytic performance, which includes excellent thermal structural stability, catalytic efficiency, and chemoselectivity. Understanding the surface properties of CeO2 and the chemical reactions occurred on the corresponding interfaces is of great importance in the rational design of heterogeneous catalysts for various reactions. In general, the reversible Ce3+/Ce4+ redox pair and the surface acid-base properties contribute to the superior intrinsic catalytic capability of CeO2, and hence yield enhanced catalytic phenomenon in many reactions. Particularly, nanostructured CeO2 is characterized by a large number of surface-bound defects, which are primarily oxygen vacancies, as the surface active catalytic sites. Many efforts have therefore been made to control the surface defects and properties of CeO2 by various synthetic strategies and post-treatments. The present review provides a comprehensive overview of recent progress in regulating the surface structure and composition of CeO2 and its applications in catalysis.

Quantum catalysis : the modelling of catalytic transition states

NARCIS (Netherlands)

Hall, M.B.; Margl, P.; Naray-Szabo, G.; Schramm, Vern; Truhlar, D.G.; Santen, van R.A.; Warshel, A.; Whitten, J.L.; Truhlar, D.G.; Morokuma, K.

1999-01-01

A review with 101 refs.; we present an introduction to the computational modeling of transition states for catalytic reactions. We consider both homogeneous catalysis and heterogeneous catalysis, including organometallic catalysts, enzymes, zeolites and metal oxides, and metal surfaces. We summarize

Structural health monitoring feature design by genetic programming

International Nuclear Information System (INIS)

Harvey, Dustin Y; Todd, Michael D

2014-01-01

Structural health monitoring (SHM) systems provide real-time damage and performance information for civil, aerospace, and other high-capital or life-safety critical structures. Conventional data processing involves pre-processing and extraction of low-dimensional features from in situ time series measurements. The features are then input to a statistical pattern recognition algorithm to perform the relevant classification or regression task necessary to facilitate decisions by the SHM system. Traditional design of signal processing and feature extraction algorithms can be an expensive and time-consuming process requiring extensive system knowledge and domain expertise. Genetic programming, a heuristic program search method from evolutionary computation, was recently adapted by the authors to perform automated, data-driven design of signal processing and feature extraction algorithms for statistical pattern recognition applications. The proposed method, called Autofead, is particularly suitable to handle the challenges inherent in algorithm design for SHM problems where the manifestation of damage in structural response measurements is often unclear or unknown. Autofead mines a training database of response measurements to discover information-rich features specific to the problem at hand. This study provides experimental validation on three SHM applications including ultrasonic damage detection, bearing damage classification for rotating machinery, and vibration-based structural health monitoring. Performance comparisons with common feature choices for each problem area are provided demonstrating the versatility of Autofead to produce significant algorithm improvements on a wide range of problems. (paper)

Treatment of the liquid waste of the laboratories of the engineering Department by means of photo catalysis

International Nuclear Information System (INIS)

Porras, Paula; Avalos, Yasmin; Mejia, Gloria; Penuela, Gustavo

2000-01-01

In this paper are showed the results of wastewater treatment of CIA and ISA laboratories of engineering Department. Photo catalysis was used in treatment of wastewater, with a removal between 52% and 68% as chemical oxygen demand (COD) during 6 hours of photo degradation. In photo catalysis, TiO 2 , hydrogen peroxide and ultraviolet light were used

Catalysis in the Service of Green Chemistry: Nobel Prize-Winning Palladium-Catalysed Cross-Couplings, Run in Water at Room Temperature: Heck, Suzuki-Miyaura and Negishi reactions carried out in the absence of organic solvents, enabled by micellar catalysis.

Science.gov (United States)

Lipshutz, Bruce H; Taft, Benjamin R; Abela, Alexander R; Ghorai, Subir; Krasovskiy, Arkady; Duplais, Christophe

2012-04-01

Palladium-catalysed cross-couplings, in particular Heck, Suzuki-Miyaura and Negishi reactions developed over three decades ago, are routinely carried out in organic solvents. However, alternative media are currently of considerable interest given an increasing emphasis on making organic processes 'greener'; for example, by minimising organic waste in the form of organic solvents. Water is the obvious leading candidate in this regard. Hence, this review focuses on the application of micellar catalysis, in which a 'designer' surfactant enables these award-winning coupling reactions to be run in water at room temperature.

Solid Base Catalysis

CERN Document Server

Ono, Yoshio

2011-01-01

The importance of solid base catalysts has come to be recognized for their environmentally benign qualities, and much significant progress has been made over the past two decades in catalytic materials and solid base-catalyzed reactions. The book is focused on the solid base. Because of the advantages over liquid bases, the use of solid base catalysts in organic synthesis is expanding. Solid bases are easier to dispose than liquid bases, separation and recovery of products, catalysts and solvents are less difficult, and they are non-corrosive. Furthermore, base-catalyzed reactions can be performed without using solvents and even in the gas phase, opening up more possibilities for discovering novel reaction systems. Using numerous examples, the present volume describes the remarkable role solid base catalysis can play, given the ever increasing worldwide importance of "green" chemistry. The reader will obtain an overall view of solid base catalysis and gain insight into the versatility of the reactions to whic...

Preface: Catalysis Today

DEFF Research Database (Denmark)

Li, Yongdan

2016-01-01

This special issue of Catalysis Today with the theme “Sustain-able Energy” results from a great success of the session “Catalytic Technologies Accelerating the Establishment of Sustainable and Clean Energy”, one of the two sessions of the 1st International Symposium on Catalytic Science and Techn...

Guidance for implementing an environmental, safety, and health-assurance program. Volume 15. A model plan for line organization environmental, safety, and health-assurance programs

Energy Technology Data Exchange (ETDEWEB)

Ellingson, A.C.; Trauth, C.A. Jr.

1982-01-01

This is 1 of 15 documents designed to illustrate how an Environmental, Safety and Health (ES and H) Assurance Program may be implemented. The generic definition of ES and H Assurance Programs is given in a companion document entitled An Environmental, Safety and Health Assurance Program Standard. This particular document presents a model operational-level ES and H Assurance Program that may be used as a guide by an operational-level organization in developing its own plan. The model presented here reflects the guidance given in the total series of 15 documents.

A Longitudinal Study of Sexual Entitlement and Self-Efficacy among Young Women and Men: Gender Differences and Associations with Age and Sexual Experience

Directory of Open Access Journals (Sweden)

Gillian Hewitt-Stubbs

2016-01-01

Full Text Available Many scholars have called for an increased focus on positive aspects of sexual health and sexuality. Using a longitudinal design with two assessments, we investigated patterns of entitlement to sexual partner pleasure and self-efficacy to achieve sexual pleasure among 295 young men and women aged 17–25 years attending one Australian university. We also tested whether entitlement and efficacy differed by gender, and hypothesized that entitlement and efficacy would be higher in older participants and those with more sexual experience. A sense of entitlement to sexual partner pleasure increased significantly over the year of the study, whereas, on average, there was no change in self-efficacy over time. At Time 1 (T1, young women reported more entitlement than young men. Age was positively associated with T1 entitlement, and experience with a wider range of partnered sexual behaviors was concurrently associated with more entitlement and efficacy and was also associated with increased entitlement to partner pleasure and increased self-efficacy in achieving sexual pleasure at T2 relative to T1. A group with the least amount of sexual experience was particularly low in entitlement and efficacy when compared to groups with a history of coital experience. There was no evidence that any association differed between young men and young women. Limitations of the study include a sample of predominantly middle class, Caucasian students at one university and the possibility that students more interested in sex and relationships, and with more sexual experience, chose to participate.

A Longitudinal Study of Sexual Entitlement and Self-Efficacy among Young Women and Men: Gender Differences and Associations with Age and Sexual Experience

Science.gov (United States)

Hewitt-Stubbs, Gillian; Zimmer-Gembeck, Melanie J.; Mastro, Shawna; Boislard, Marie-Aude

2016-01-01

Many scholars have called for an increased focus on positive aspects of sexual health and sexuality. Using a longitudinal design with two assessments, we investigated patterns of entitlement to sexual partner pleasure and self-efficacy to achieve sexual pleasure among 295 young men and women aged 17–25 years attending one Australian university. We also tested whether entitlement and efficacy differed by gender, and hypothesized that entitlement and efficacy would be higher in older participants and those with more sexual experience. A sense of entitlement to sexual partner pleasure increased significantly over the year of the study, whereas, on average, there was no change in self-efficacy over time. At Time 1 (T1), young women reported more entitlement than young men. Age was positively associated with T1 entitlement, and experience with a wider range of partnered sexual behaviors was concurrently associated with more entitlement and efficacy and was also associated with increased entitlement to partner pleasure and increased self-efficacy in achieving sexual pleasure at T2 relative to T1. A group with the least amount of sexual experience was particularly low in entitlement and efficacy when compared to groups with a history of coital experience. There was no evidence that any association differed between young men and young women. Limitations of the study include a sample of predominantly middle class, Caucasian students at one university and the possibility that students more interested in sex and relationships, and with more sexual experience, chose to participate. PMID:26797642

Positron studies in catalysis research

International Nuclear Information System (INIS)

1994-01-01

During the past eight months, the authors have made progress in several areas relevant to the eventual use of positron techniques in catalysis research. They have come closer to the completion of their positron microscope, and at the same time have performed several studies in their non-microscopic positron spectrometer which should ultimately be applicable to catalysis. The current status of the efforts in each of these areas is summarized in the following sections: Construction of the positron microscope (optical element construction, data collection software, and electronic sub-assemblies); Doppler broadening spectroscopy of metal silicide; Positron lifetime spectroscopy of glassy polymers; and Positron lifetime measurements of pore-sizes in zeolites

A peer-to-peer traffic safety campaign program.

Science.gov (United States)

2014-06-01

The purpose of this project was to implement a peer-to-peer drivers safety program designed for high school students. : This project builds upon an effective peer-to-peer outreach effort in Texas entitled Teens in the Driver Seat (TDS), the : nati...

Bionic catalysis of porphyrin for electrochemical detection of nucleic acids

International Nuclear Information System (INIS)

Li Jie; Lei Jianping; Wang Quanbo; Wang Peng; Ju Huangxian

2012-01-01

Highlights: ► This is the first application of bionic catalysis of porphyrin as detection probe in bioanalysis. ► Porphyrin–DNA–gold nanoparticle probe is synthesized. ► Binding model between FeTMPyP and DNA is verified. ► The detection probe shows excellent electrocatalytic behaviors toward the reduction of O 2 . ► The biosensor exhibited good performance with wide linear range and high specificity. - Abstract: A novel electrochemical strategy was designed for the detection of DNA based on the bionic catalysis of porphyrin. The detection probe was prepared via the assembly of thiolated double strand DNA (dsDNA) with gold nanoparticles (AuNPs), and then interacted with cationic iron (III) meso-tetrakis (N-methylphyridinum-4-yl) porphyrin (FeTMPyP) via groove binding along the dsDNA surface. The resulting nanocomplex was characterized with transmission electron microscopy, UV–vis absorption and circular dichroism spectroscopy. The FeTMPyP–DNA–AuNPs probe on gold electrode demonstrated the excellent electrocatalytic behaviors toward the reduction of O 2 due to the largely loading of FeTMPyP and good conductivity. Based on bionic catalysis of porphyrin for the reduction of O 2 , the resulting biosensor exhibited a good performance for the detection of DNA with a wide linear range from 1 × 10 −12 to 1 × 10 −8 mol L −1 and detection limit of 2.5 × 10 −13 mol L −1 at the signal/noise of 3. More importantly, the biosensor presented excellent ability to discriminate the perfectly complementary target and the mismatched stand. This strategy could be conveniently extended for detection of other biomolecules. To the best of our knowledge, this is the first application of bionic catalysis of porphyrin as detection probe and opens new opportunities for sensitive detection of biorecognition events.

The design of the MAD Design Program

International Nuclear Information System (INIS)

Niederer, J.

1992-01-01

The study of long term stability in particle accelerators has long been served by a group of widely circulated computer programs. The progress in these programs has mirrored the growth and versatility in accelerator size, complexity, and purpose, as well as evolving technologies in computing software and hardware. A number of large accelerator projects during the last decade were designed with the aid of physics programs either written for, or tailored for the project at hand, each invariably benefiting from contributions of previous workers. This paper outlines the recent history of of expample of an accelerator lattice model tool kit, the Methodical Accelerator Design (MAD) Program, which has tried to knit together this collective wisdom of the accelerator community, The ideas behind the software design of the program itself are traced here; the accelerator physics contents and origins are thoroughly documented elsewhere. These informal notes have a Brookhaven flavor, in part because of early BNL efforts to generalize the ways that technical problems are organized and presented to computers. Some recent BNL applications not covered in the extensive CERN documentation are also included

Curvature bound from gravitational catalysis

Science.gov (United States)

Gies, Holger; Martini, Riccardo

2018-04-01

We determine bounds on the curvature of local patches of spacetime from the requirement of intact long-range chiral symmetry. The bounds arise from a scale-dependent analysis of gravitational catalysis and its influence on the effective potential for the chiral order parameter, as induced by fermionic fluctuations on a curved spacetime with local hyperbolic properties. The bound is expressed in terms of the local curvature scalar measured in units of a gauge-invariant coarse-graining scale. We argue that any effective field theory of quantum gravity obeying this curvature bound is safe from chiral symmetry breaking through gravitational catalysis and thus compatible with the simultaneous existence of chiral fermions in the low-energy spectrum. With increasing number of dimensions, the curvature bound in terms of the hyperbolic scale parameter becomes stronger. Applying the curvature bound to the asymptotic safety scenario for quantum gravity in four spacetime dimensions translates into bounds on the matter content of particle physics models.

Catalysis by Design Using Surface Organometallic Nitrogen-Containing Fragments

KAUST Repository

Hamzaoui, Bilel

2016-01-01

leading to opening strained siloxane bridges into acid-base paired functionalities (formation of N-phenylsilanamine-silanol pairs). This approach was successfully applied to the design of a series of aniline derivatives bifunctional SBA15. The efficiency

Tax treaty entitlement issues concerning dual residents

NARCIS (Netherlands)

Sanghavi, D.

2014-01-01

The question whether a dual resident taxpayer is entitled to tax treaties concluded by each residence state with a third state has been controversial. Since 2008, the Organisation for Economic Co-operation and Development (OECD) Commentary on Article 4(1) of the OECD Model states that such a

Density functional theory studies of transition metal nanoparticles in catalysis

DEFF Research Database (Denmark)

Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua

2013-01-01

Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and to subnanometer metal clusters. Descriptions of catalysis on truly nanosized structures, however, are generally not as well developed. In this talk, I will illustrate different approaches to analyzing nanocatalytic phenomena with DFT calculations. I will describe case studies from heterogeneous catalysis...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

New developments in oxidation catalysis

Energy Technology Data Exchange (ETDEWEB)

Rosowski, F. [BASF SE, Ludwigshafen (Germany)

2011-07-01

The impact of heterogeneous catalysis on the economy can be depicted by the global revenue of the chemical industry in 2006, which accounted for 2200 billion Euros with a share of all chemical products produced applying heterogeneous catalysis of about two thirds. [1] The range of products is enormous and they contribute greatly to the quality of our lifes. The advancement in the development of basic and intermediate chemical products is crucially dependent on either the further development of existing catalyst systems or the development of new catalysts and key to success for the chemical industry. Within the context of oxidation catalysis, the following driving forces are guiding research activities: There is a continuous desire to increase the selectivity of a given process in response to both economic as well as ecological needs and taking advantage of higher efficiencies in terms of cost savings and a better utilization of raw materials. A second motivation focuses on raw material change to all abundant and competitive feedstocks requiring both new developments in catalyst design as well as process technology. A more recent motivation refers to the use of metal oxide redox systems which are key to success for the development of novel technologies allowing for the separation of carbon dioxide and the use of carbon dioxide as a feedstock molecule as well as storing renewable energy in a chemical. To date, general ab initio approaches are known for the design of novel catalytic materials only for a few chemical reactions, whereas most industrial catalytic processes have been developed by empirical methods. [2] The development of catalytic materials are either based on the targeted synthesis of catalytic lead structures as well as high throughput methods that allow for the screening of a large range of parameters. [3 - 5] The successful development of catalysts together with reactor technology has led to both significant savings in raw materials and emissions. The

Camphor as Chiral Motif in Ligand Design - Applications in Catalysis and Complexation Gas-Chromatography

OpenAIRE

Spallek, Markus Jürgen

2012-01-01

This thesis is intended to further extend the scope of camphor and camphor-derived building blocks in the synthesis of chiral ligands, catalysts and selectors, their successful application in catalysis and in enantioseparation sciences. The thesis is divided into four independent chapters each focusing on the development of novel camphor-based compounds and their application as catalysts or metal-selectors. A short introduction is given for each chapter dealing with recent progress in the fie...

76 FR 26616 - Wisconsin: Incorporation by Reference of Approved State Hazardous Waste Management Program

Science.gov (United States)

2011-05-09

... Reference of Approved State Hazardous Waste Management Program AGENCY: Environmental Protection Agency (EPA... (RCRA) allows EPA to authorize States to operate their hazardous waste management programs in lieu of the Federal program. EPA uses the regulations entitled ``Approved State Hazardous Waste Management...

Hydrolyses of 2- and 4-fluoro N-heterocycles. 3. Nucleophilic catalysis by buffer bases in the general acid catalyzed hydrolysis of 4-fluoroquinaldine

International Nuclear Information System (INIS)

Muscio, O.J. Jr.; Theobald, P.G.; Rutherford, D.R.

1989-01-01

Pseudo-first-order rate constants and catalytic rate constants are reported for the buffer-catalyzed hydrolysis of 4-fluoroquinaldine (1) in carboxylic acid and phosphoric acid buffers. The buffer catalysis is consistent with specific acid, general base catalysis. Hydrolyses in 99% 18 O-labeled acetate, indicate that the predominant catalytic mode for the acetic acid/acetate buffer system is nucleophilic catalysis by the acetate anion coupled with specific acid catalysis. The other buffers presumably react in a similar manner. A Broensted-type plot of the catalytic rate constants for hydrolysis of protonated 1 has a slope of 0.57, with formate deviating positively from the line determined by acetate, chloroacetate, monohydrogen phosphate, and water. This Broensted slope is less than that found for hydrolysis of the 2-fluoro-1-methylpyridinium ion, 2, but is still within the range expected for aromatic nucleophilic substitution. Rate constants and 18 O-labeling results for hydrolysis in acetate buffer are also reported for 4-acetoxyquinaldine (3), the proposed intermediate in the acetate-catalyzed hydrolysis of 1. 15 references, 5 figures, 3 tables

Economic Entitlements via Entrepreneurial Conduct? Women and Financial Inclusion in Neo-liberal India

Directory of Open Access Journals (Sweden)

K. Kalpana

2015-08-01

Full Text Available This paper examines the gendered local character of neoliberalism at the household level by focusing on microcredit/finance programs in India. Microfinance promoted by the state as an informal activity targeting women is intended to alleviate income inequalities, even as it contributes to maintaining the world capitalist system. In India the inception of microfinance-based Self Help Groups (SHGs or peer groups of women savers and borrowers in the 1990s has coincided with a rightward turn towards neoliberal policies of structural adjustment, privatization and economic deregulation. In this paper, I show how Indian policy makers have endeavored to make women's economic entitlements contingent upon their disciplined financial behavior and their willing participation in neoliberal agendas of creating and deepening 'self-regulating' markets at village levels. Drawing on an ethnographic study conducted in a South Indian state, I show that the community level 'neoliberal disciplining' that microfinance entails does not proceed without resistance. Whilst SHGs seek to constitute women as fiscally disciplined savers and borrowers, women stake their 'rightful' entitlement to bank credit even as they reject outright the entrepreneurial subjectivities they are expected to assume. They pursue purposes and ends that extend well beyond 'financial inclusion.'

Restricted health care entitlements for child migrants in Europe and Australia

DEFF Research Database (Denmark)

Østergaard, Liv Stubbe; Norredam, Marie; Mock-Munoz de Luna, Claire

2017-01-01

Background: More than 300 000 asylum seeking children were registered in Europe alone during 2015. In this study, we examined entitlements for health care for these and other migrant children in Europe and Australia in a framework based on United Nations Convention of the Rights of the Child (UNCRC......). Methods: Survey to child health professionals, NGO's and European Ombudspersons for Children in 30 EU/EEA countries and Australia, supplemented by desktop research of official documents. Migrant children were categorised as asylum seekers and irregular/undocumented migrants. Results: Five countries....... Twelve European countries have limited entitlements to health care for asylum seeking children, including Germany that stands out as the country with the most restrictive health care policy for migrant children. In Australia entitlements for health care are restricted for asylum seeking children...

Utilizing Design Information in Aspect-Oriented Programming

OpenAIRE

Nagy, I.; Bergmans, Lodewijk; Havinga, W.K.; Aksit, Mehmet; Hirschfeld, Robert; Kowalczyk, Ryszard; Polze, Andreas; Weske, Mathias

2005-01-01

Traditionally in aspect-oriented languages, pointcut designators select joinpoints of a program based on lexical information such as explicit names of program elements. However, this reduces the adaptability of software, since it involves too much information that is hard-coded, and often implementationspecific. We claim that this problem can be reduced by referring to program units through their design intentions. Design intention is represented by annotated design information, which describ...

The ultrasound-assisted oxidative scission of monoenic fatty acids by ruthenium tetroxide catalysis: influence of the mixture of solvents.

Science.gov (United States)

Rup, Sandrine; Zimmermann, François; Meux, Eric; Schneider, Michel; Sindt, Michele; Oget, Nicolas

2009-02-01

Carboxylic acids and diacids were synthesized from monoenic fatty acids by using RuO4 catalysis, under ultrasonic irradiation, in various mixtures of solvents. Ultrasound associated with Aliquat 336 have promoted in water, the quantitative oxidative cleavage of the CH=CH bond of oleic acid. A design of experiment (DOE) shows that the optimal mixture of solvents (H2O/MeCN, ratio 1/1, 2.2% RuCl3/4.1 eq. NaIO4) gives 81% azelaic acid and 97% pelargonic acid. With the binary heterogeneous mixture H2O/AcOEt, the oxidation of the oleic acid leads to a third product, the alpha-dione 9,10-dioxostearic acid.

77 FR 44255 - Medicare Program; Application by the American Association of Diabetes Educators (AADE) for...

Science.gov (United States)

2012-07-27

...] Medicare Program; Application by the American Association of Diabetes Educators (AADE) for Continued... Register (77 FR 11130) entitled, ``Application by the American Association of Diabetes Educators (AADE) for... Notice. SUMMARY: This final notice announces the approval of an application from the American Association...

Relation between Hydrogen Evolution and Hydrodesulfurization Catalysis

DEFF Research Database (Denmark)

Šaric, Manuel; Moses, Poul Georg; Rossmeisl, Jan

2016-01-01

A relation between hydrogen evolution and hydrodesulfurization catalysis was found by density functional theory calculations. The hydrogen evolution reaction and the hydrogenation reaction in hydrodesulfurization share hydrogen as a surface intermediate and, thus, have a common elementary step...

20 CFR 408.816 - When does SVB entitlement end due to death?

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false When does SVB entitlement end due to death? 408.816 Section 408.816 Employees' Benefits SOCIAL SECURITY ADMINISTRATION SPECIAL BENEFITS FOR CERTAIN WORLD WAR II VETERANS Suspensions and Terminations Termination § 408.816 When does SVB entitlement end due to death? Your SVB entitlement ends wit...

Gender Differences in Pay Histories and Views on Pay Entitlement among University Students.

Science.gov (United States)

Desmarais, Serge; Curtis, James

1997-01-01

Examines whether gender differences in recent pay experience influence entitlement views by providing different standards for female and male students' judgments of their entitlements. Responses from 309 undergraduate students reveal that income gaps in the full-time working world extended to their own recent work experiences and that these past…

Entitlement to vote in the Canton of Geneva and entitlement to vote and eligibility for election in the Canton of Vaud

CERN Multimedia

DG Unit

2011-01-01

You are reminded that, at commune level, certain international civil servants and their family members: are entitled to vote in the Canton of Geneva are entitled to vote and are eligible for election in the Canton of Vaud. For further information, in particular regarding the special procedure to be followed to apply to exercise these entitlements, you are invited to consult the information published, in French only, on the Swiss Mission’s website (topic « Privileges and immunities (Manual) » : http://www.eda.admin.ch/eda/fr/home/topics/intorg/un/unge/gepri/manvot/manvt1.html (for the Canton of Geneva), http://www.eda.admin.ch/eda/fr/home/topics/intorg/un/unge/gepri/manvot/manvt2.html (for the Canton of Vaud). The dates of the forthcoming ballots are available on the official websites of the cantonal administrative authorities : for Geneva: http://www.ge.ch/votations-elections/prochains-scrutins/; for Vaud: http://www.vd.ch/fr/themes/etat-droit-financ...

Entitlement to vote in the Canton of Geneva and entitlement to vote and eligibility for election in the Canton of Vaud

CERN Multimedia

DG Unit

2009-01-01

You are reminded that, at commune level, certain international civil servants and their family members: are entitled to vote in the Canton of Geneva are entitled to vote and are eligible for election in the Canton of Vaud. For further information, in particular regarding the special procedure to be followed to apply to exercise these entitlements, you are invited to consult the information published, in French only, on the Swiss Mission’s website: for the Canton of Genevafor the Canton of VaudThe dates of the forthcoming ballots are available on the official websites of the cantonal administrative authorities: for Geneva: referendum and forthcoming ballots ; for Vaud: forthcoming ballots In this context, please note, especially with regard to eligibility for election, that: in accordance with Articles S I 3.05 and I 3.06 of the Staff Rules "Members of the personnel wishing to take part in the public and political life of a State shall comply with the relevant legislat...

The Development of Visible-Light Photoredox Catalysis in Flow.

Science.gov (United States)

Garlets, Zachary J; Nguyen, John D; Stephenson, Corey R J

2014-04-01

Visible-light photoredox catalysis has recently emerged as a viable alternative for radical reactions otherwise carried out with tin and boron reagents. It has been recognized that by merging photoredox catalysis with flow chemistry, slow reaction times, lower yields, and safety concerns may be obviated. While flow reactors have been successfully applied to reactions carried out with UV light, only recent developments have demonstrated the same potential of flow reactors for the improvement of visible-light-mediated reactions. This review examines the initial and continuing development of visible-light-mediated photoredox flow chemistry by exemplifying the benefits of flow chemistry compared with conventional batch techniques.

Issues facing the U. S. mirror program

Energy Technology Data Exchange (ETDEWEB)

George, T.V.

1978-07-01

Some of the current issues associated with the U.S. Magnetic Mirror Program are analyzed. They are presented as five separate papers entitled: (1) Relevant Issues Broughtup by the Mirror Reactor Design Studies. (2) An Assessment of the Design Study of the 1 MeV Neutral Beam Injector Required for a Tandem Mirror Reactor. (3) The Significance of the Radial Plasma Size Measured in Units of Ion Gyroradii in Tandem Mirrors and Field Reversed Mirrors. (4) Producing Field Reversed Mirror Plasmas by Methods used in Field Reversed Theta Pinch. (5) RF Stoppering of Mirror Confined Plasma.

Academic Entitlement and Its Relationship with Perception of Cheating Ethics

Science.gov (United States)

Elias, Rafik Z.

2017-01-01

Cheating is an epidemic in higher education. The author examined the psychological variable of academic entitlement and its relationship with the ethical perception of cheating using a sample of business students. Contrary to some previous research, the author found that millennials were only slightly more academically entitled than students from…

Catalysis in electrochemistry: from fundamentals to strategies for fuel cell development

National Research Council Canada - National Science Library

Santos, Elizabeth; Schmickler, Wolfgang

2011-01-01

"Catalysis in Electrochemistry: From Fundamentals to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications...

Opportunities for Catalysis in The 21st Century. A report from the Basic Energy Sciences Advisory Committee

Energy Technology Data Exchange (ETDEWEB)

White, J. M.; Bercaw, J.

2002-05-16

Chemical catalysis affects our lives in myriad ways. Catalysis provides a means of changing the rates at which chemical bonds are formed and broken and of controlling the yields of chemical reactions to increase the amounts of desirable products from these reactions and reduce the amounts of undesirable ones. Thus, it lies at the heart of our quality of life: The reduced emissions of modern cars, the abundance of fresh food at our stores, and the new pharmaceuticals that improve our health are made possible by chemical reactions controlled by catalysts. Catalysis is also essential to a healthy economy: The petroleum, chemical, and pharmaceutical industries, contributors of $500 billion to the gross national product of the United States, rely on catalysts to produce everything from fuels to ''wonder drugs'' to paints to cosmetics. Today, our Nation faces a variety of challenges in creating alternative fuels, reducing harmful by-products in manufacturing, cleaning up the environment and preventing future pollution, dealing with the causes of global warming, protecting citizens from the release of toxic substances and infectious agents, and creating safe pharmaceuticals. Catalysts are needed to meet these challenges, but their complexity and diversity demand a revolution in the way catalysts are designed and used. This revolution can become reality through the application of new methods for synthesizing and characterizing molecular and material systems. Opportunities to understand and predict how catalysts work at the atomic scale and the nanoscale are now appearing, made possible by breakthroughs in the last decade in computation, measurement techniques, and imaging and by new developments in catalyst design, synthesis, and evaluation.

Atomic layer deposition of highly dispersed Pt nanoparticles on a high surface area electrode backbone for electrochemical promotion of catalysis

NARCIS (Netherlands)

Hajar, Y.; di Palma, V.; Kyriakou, V.; Verheijen, M. A.; Baranova, E. A.; Vernoux, P.; Kessels, W. M. M.; Creatore, M.; van de Sanden, M. C. M.; Tsampas, M. N.

2017-01-01

A novel catalyst design for electrochemical promotion of catalysis (EPOC) is proposed which overcomes the main bottlenecks that limit EPOC commercialization, i.e., the low dispersion and small surface area of metal catalysts. We have increased the surface area by using a porous composite electrode

Reforming Equalization: Balancing Efficiency, Entitlement and Ownership

Directory of Open Access Journals (Sweden)

Bev Dahlby

2014-08-01

Full Text Available In this paper, we provide an overview of the equalization grant system in Canada and the issues that have been raised concerning the reform of the fiscal transfer system. Any reforms to the equalization grant system have to balance three concerns — “efficiency” effects that arise through federal financing of transfers, and the incentive effects on provincial fiscal policies, “entitlement” to reasonably comparable public services at reasonably comparable levels of taxation, and “ownership” of resources and independence of fiscal policies by provincial governments. Five proposals for reform of the equalization system are discussed. With regard to the inclusion rate for resource revenues in equalization formula, we argue that the rate should be reduced from 50 per cent to 25 per cent and that ceiling on total equalization payments should be eliminated. We argue against the proposal to exempt from the calculation of equalization entitlements that are deposited in provincial sovereign wealth funds because this would not reduce total equalization entitlements in present value terms, it would be complex to implement if it extended to all forms of savings by provinces (such as debt reduction, and it would not alter the resource rich provinces’ incentives to save more of their resource revenues. We argue against a proposal to reduce CHT and CST to provinces with above average fiscal capacities because this would reduce their incentive to develop and tax their resources, and it would be counter to the purpose of these block grants, which is to reduce the vertical fiscal imbalance between the federal and the provincial governments. We review the Gusen (2012a proto-type model for incorporating variations in costs and needs in the computation of the equalization entitlements and argue that this procedure seems feasible and merits further analysis.

The nature of the active site in heterogeneous metal catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Bligaard, Thomas; Larsen, Britt Hvolbæk

2008-01-01

This tutorial review, of relevance for the surface science and heterogeneous catalysis communities, provides a molecular-level discussion of the nature of the active sites in metal catalysis. Fundamental concepts such as "Bronsted-Evans-Polanyi relations'' and "volcano curves'' are introduced...

Entitlement Attitudes Predict Students' Poor Performance in Challenging Academic Conditions

Science.gov (United States)

Anderson, Donna; Halberstadt, Jamin; Aitken, Robert

2013-01-01

Excessive entitlement--an exaggerated or unrealistic belief about what one deserves--has been associated with a variety of maladaptive behaviors, including a decline in motivation and effort. In the context of tertiary education, we reasoned that if students expend less effort to obtain positive outcomes to which they feel entitled, this should…

Special section on Nano-Catalysis

CSIR Research Space (South Africa)

Makgwane, PR

2013-01-01

Full Text Available to achieve sustainable and green catalytic processes. The special issue contains 40 peer reviewed scientific papers that include four comprehensive review articles contributions from the invited experts in the respective catalysis fields....

On the mechanism of hydrogen evolution catalysis by proteins: A case study with bovine serum albumin

Energy Technology Data Exchange (ETDEWEB)

Doneux, Th., E-mail: tdoneux@ulb.ac.b [Chimie Analytique et Chimie des Interfaces, Faculte des Sciences, Universite Libre de Bruxelles, Boulevard du Triomphe 2, CP 255, B-1050 Bruxelles (Belgium); Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic); Ostatna, Veronika [Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic); Palecek, Emil, E-mail: palecek@ibp.cz [Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno (Czech Republic)

2011-10-30

Highlights: > Proteins catalyse hydrogen evolution at mercury electrodes. > The adsorbed protein is the mediator and the buffer proton donor is the substrate. > The characteristics of the catalytic peak are connected to the protein properties. - Abstract: The catalysis of the hydrogen evolution reaction (HER) by proteins has been known for decades but was only recently found to be useful for electroanalytical purposes. The mechanism of the catalytic process is investigated at hanging mercury drop electrodes by cyclic voltammetry, with bovine serum albumin as a model system. It is shown that the catalyst is the protein in the adsorbed state. The influence of various parameters such as the accumulation time, scan rate or buffer concentration is studied, and interpreted in the framework of a surface catalytic mechanism. Under the experimental conditions used in the work, a 'total catalysis' phenomenon takes place, the rate of HER being limited by the diffusion of the proton donor. The adequacy of the existing models is discussed, leading to a call for the development of more refined models.

Francois Garin: Pioneer work in catalysis through synchrotron radiation

International Nuclear Information System (INIS)

Bazin, Dominique

2014-01-01

Starting from the late seventies, the progressively increased availability of beamlines dedicated to X-ray absorption spectroscopy allowed the execution of experiments in chemistry. In this manuscript, I describe the contribution of Francois Garin at the frontier of heterogeneous catalysis and synchrotron radiation. Working at LURE as a scientific in charge of a beamline dedicated to X-ray absorption spectroscopy during almost twenty years and thus, having the opportunity to discuss with research groups working in heterogeneous catalysis in Europe as well as in the United States, it was quite easy to show that his work is clearly at the origin of current research in heterogeneous catalysis, not only in France, but in different synchrotron radiation centres. (authors)

Rate tracer studies of heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Happel, J; Kiang, S

1977-10-01

An analysis is presented of the extent to which parameters involved in transient tracing of isotopic species in heterogeneous catalysis can be determined by experiments in which tracer concentrations are measured as a function of time. Different treatments for open and closed systems with the over-all reaction at equilibrium or irreversible were developed.

Heterogeneous catalysis at nanoscale for energy applications

CERN Document Server

Tao, Franklin (Feng); Kamat, Prashant V

2015-01-01

This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems.  It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical si

78 FR 79567 - National School Lunch Program and School Breakfast Program: Nutrition Standards for All Foods...

Science.gov (United States)

2013-12-31

... Program: Nutrition Standards for All Foods Sold in Schools as Required by the Healthy, Hunger-Free Kids... interim rule entitled National School Lunch Program and School Breakfast Program: Nutrition Standards for..., 2013 / Rules and Regulations [[Page 79567

Wealth and the inflated self: class, entitlement, and narcissism.

Science.gov (United States)

Piff, Paul K

2014-01-01

Americans may be more narcissistic now than ever, but narcissism is not evenly distributed across social strata. Five studies demonstrated that higher social class is associated with increased entitlement and narcissism. Upper-class individuals reported greater psychological entitlement (Studies 1a, 1b, and 2) and narcissistic personality tendencies (Study 2), and they were more likely to behave in a narcissistic fashion by opting to look at themselves in a mirror (Study 3). Finally, inducing egalitarian values in upper-class participants decreased their narcissism to a level on par with their lower-class peers (Study 4). These findings offer novel evidence regarding the influence of social class on the self and highlight the importance of social stratification to understanding basic psychological processes.

Approaches to single-nanoparticle catalysis.

Science.gov (United States)

Sambur, Justin B; Chen, Peng

2014-01-01

Nanoparticles are among the most important industrial catalysts, with applications ranging from chemical manufacturing to energy conversion and storage. Heterogeneity is a general feature among these nanoparticles, with their individual differences in size, shape, and surface sites leading to variable, particle-specific catalytic activity. Assessing the activity of individual nanoparticles, preferably with subparticle resolution, is thus desired and vital to the development of efficient catalysts. It is challenging to measure the activity of single-nanoparticle catalysts, however. Several experimental approaches have been developed to monitor catalysis on single nanoparticles, including electrochemical methods, single-molecule fluorescence microscopy, surface plasmon resonance spectroscopy, X-ray microscopy, and surface-enhanced Raman spectroscopy. This review focuses on these experimental approaches, the associated methods and strategies, and selected applications in studying single-nanoparticle catalysis with chemical selectivity, sensitivity, or subparticle spatial resolution.

Asymmetric Aldol Additions: A Guided-Inquiry Laboratory Activity on Catalysis

Science.gov (United States)

King, Jorge H. Torres; Wang, Hong; Yezierski, Ellen J.

2018-01-01

Despite the importance of asymmetric catalysis in both the pharmaceutical and commodity chemicals industries, asymmetric catalysis is under-represented in undergraduate chemistry laboratory curricula. A novel guided-inquiry experiment based on the asymmetric aldol addition was developed. Students conduct lab work to compare the effectiveness of…

Cyclopalladated complexes in enantioselective catalysis

Energy Technology Data Exchange (ETDEWEB)

Dunina, Valeria V; Gorunova, Olga N; Zykov, P A; Kochetkov, Konstantin A

2011-01-31

The results of the use of optically active palladacycles in enantioselective catalysis of [3,3]-sigmatropic rearrangements, aldol condensation, the Michael reaction and cross-coupling are analyzed. Reactions with allylic substrates or reagents and some other transformations are considered.

Green catalysis by nanoparticulate catalysts developed for flow processing? case study of glucose hydrogenation

NARCIS (Netherlands)

Gericke, D.; Ott-Reinhardt, D.; Matveeva, V.; Sulman, E.M.; Aho, A.; Murzin, D.Y.; Roggan, S.; Danilova, L.; Hessel, V.; Löb, P.; Kralisch, D.

2015-01-01

Heterogeneous catalysis, flow chemistry, continuous processing, green solvents, catalyst immobilization and recycling are some of the most relevant, emerging key technologies to achieve green synthesis. However, a quantification of potential effects on a case to case level is required to provide a

Intellectual Freedom and Economic Sufficiency as Educational Entitlements.

Science.gov (United States)

Morse, Jane Fowler

2001-01-01

Using the theories of John Stuart Mill and Karl Marx, this article supports the educational entitlements of intellectual freedom and economic sufficiency. Explores these issues in reference to their implications for teaching, the teaching profession and its training. Concludes that ideas cannot be controlled by the interests of the dominant class.…

Morphology-controlled synthesis of silver nanostructures via a seed catalysis process

Science.gov (United States)

Chen, Chang; Wang, Li; Yu, Haojie; Wang, Jianjun; Zhou, Junfeng; Tan, Qiaohua; Deng, Libo

2007-03-01

A novel, effective strategy named 'seed catalysis' has been described here to synthesize silver nanostructures with controllable morphology. Typically, we added Na2S into the reaction system and the Ag2S semiconductor colloids formed at the initial stage would act as both seeds and catalyst in the silver reduction. The morphology of products is controlled by the concentration of Na2S added to the system. Low concentration of Na2S gives nanocubes of 40-50 nm in size, while a high concentration of Na2S is of benefit to obtain nanowires. The growth of the silver crystal is also accelerated by the catalysis of Ag2S. Electron microscopy and UV-vis absorption spectra have been used to investigate the evolution of silver nanowires, and a reasonable mechanism to explain the role of Ag2S seeds has also been suggested. This semiconductor seed catalysis strategy will provide wide applications in the fabrication of metal nanomaterials.

Morphology-controlled synthesis of silver nanostructures via a seed catalysis process

International Nuclear Information System (INIS)

Chen Chang; Wang Li; Yu Haojie; Wang Jianjun; Zhou Junfeng; Tan Qiaohua; Deng Libo

2007-01-01

A novel, effective strategy named 'seed catalysis' has been described here to synthesize silver nanostructures with controllable morphology. Typically, we added Na 2 S into the reaction system and the Ag 2 S semiconductor colloids formed at the initial stage would act as both seeds and catalyst in the silver reduction. The morphology of products is controlled by the concentration of Na 2 S added to the system. Low concentration of Na 2 S gives nanocubes of 40-50 nm in size, while a high concentration of Na 2 S is of benefit to obtain nanowires. The growth of the silver crystal is also accelerated by the catalysis of Ag 2 S. Electron microscopy and UV-vis absorption spectra have been used to investigate the evolution of silver nanowires, and a reasonable mechanism to explain the role of Ag 2 S seeds has also been suggested. This semiconductor seed catalysis strategy will provide wide applications in the fabrication of metal nanomaterials

Rights as entitlements and rights as claims

Directory of Open Access Journals (Sweden)

Azevedo, Marco Antônio Oliveira de

2010-01-01

Full Text Available Há pelo menos dois registros diferentes sobre o significado de “direitos”. Segundo um deles, os direitos são relações entre dois termos: uma pessoa e um bem; para o outro, os direitos são relações entre três termos: um indivíduo, uma pessoa e uma ação ou algo. Os registros são diferentes, mas não são totalmente incompatíveis. De acordo com a interpretação de direitos como entitlements, trata-se de direitos morais ou legais, ou seja, as relações de ordem moral ou jurídica das pessoas com bens (de benefícios concedidos a pessoas por uma lei humana, moral ou legal. Como uma espécie de direitos, os direitos humanos são vistos como direitos (entitlements das pessoas ou dos indivíduos a bens essenciais, dos quais podem-se inferir reivindicações (claims contra outras pessoas ou contra governos e representantes. Falamos sobre direitos humanos geralmente desta forma. Mas de acordo com o outro registro, os direitos em sentido próprio têm que ser interpretados como claims. Neste artigo, pretendo apresentar alguns argumentos em favor da vantagem de expor todos os enunciados significativos dos direitos como entitlements em termos explícitos de claims

Designing computer programs

CERN Document Server

Haigh, Jim

1994-01-01

This is a book for students at every level who are learning to program for the first time - and for the considerable number who learned how to program but were never taught to structure their programs. The author presents a simple set of guidelines that show the programmer how to design in a manageable structure from the outset. The method is suitable for most languages, and is based on the widely used 'JSP' method, to which the student may easily progress if it is needed at a later stage.Most language specific texts contain very little if any information on design, whilst books on des

The Effects of Reducing the Entitlement Period to Unemployment Insurance Benefits

NARCIS (Netherlands)

de Groot, N.; van der Klaauw, B.

This paper exploits a substantial reform of the Dutch UI law to study the effect of the entitlement period on job finding and subsequent labor market outcomes. Using detailed administrative data covering the full population we find that reducing the entitlement period increases the job finding rate,

12 CFR 615.5454 - Creation of participant's security entitlement; security interests.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 6 2010-01-01 2010-01-01 false Creation of participant's security entitlement... Procedures for Farm Credit Securities § 615.5454 Creation of participant's security entitlement; security... public money, including without limitation deposits to the Treasury tax and loan accounts, or other...

12 CFR 1511.4 - Creation of Participant's Security Entitlement; security interests.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 7 2010-01-01 2010-01-01 false Creation of Participant's Security Entitlement... CORPORATION BOOK-ENTRY PROCEDURE § 1511.4 Creation of Participant's Security Entitlement; security interests... to secure deposits of public money, including without limitation deposits to the Treasury tax and...

A Non-Member Spouse's Entitlement To The Member's Pension Interest

Directory of Open Access Journals (Sweden)

Motseotsile Clement Marumoagae

2014-12-01

Full Text Available It is important that married couples seek legal advice with regard to the assets falling within their joint estate, more particularly their retirement benefits. This article reflects on the entitlement (if any of non-member spouses to their spouses' retirement fund benefits. Pension benefits can be due before, during or after divorce, and parties to the marriage should be aware of their rights with regard to the accruing pension benefits of their spouses. While it is settled law that non-member spouses are entitled to receive a portion of their member spouses' pension benefits (known as "pension interest" immediately on divorce, it is not particularly clear whether non-member spouses are also entitled to receive the same before or sometime after divorce. In this article I provide a contextual understanding of the entitlements (if any which spouses or former spouses of members of pension funds have on such member spouses' retirement benefits. Furthermore, it shown in this article that various divisions of South African High Courts have been inconsistent in how they have approached the issue of the pension interest between divorcing spouses or divorced ex-spouses.

38 CFR 21.3045 - Entitlement charges.

Science.gov (United States)

2010-07-01

...) VOCATIONAL REHABILITATION AND EDUCATION Survivors' and Dependents' Educational Assistance Under 38 U.S.C...) Entitlement charges for elementary and secondary education. (1) When an eligible spouse or surviving spouse is... of the course or courses as a result of being— (A) Ordered, in connection with the Persian Gulf War...

Pediatric medical device development by surgeons via capstone engineering design programs.

Science.gov (United States)

Sack, Bryan S; Elizondo, Rodolfo A; Huang, Gene O; Janzen, Nicolette; Espinoza, Jimmy; Sanz-Cortes, Magdalena; Dietrich, Jennifer E; Hakim, Julie; Richardson, Eric S; Oden, Maria; Hanks, John; Haridas, Balakrishna; Hury, James F; Koh, Chester J

2018-03-01

There is a need for pediatric medical devices that accommodate the unique physiology and anatomy of pediatric patients that is increasingly receiving more attention. However, there is limited literature on the programs within children's hospitals and academia that can support pediatric device development. We describe our experience with pediatric device design utilizing collaborations between a children's hospital and two engineering schools. Utilizing the academic year as a timeline, unmet pediatric device needs were identified by surgical faculty and matched with an engineering mentor and a team of students within the Capstone Engineering Design programs at two universities. The final prototypes were showcased at the end of the academic year and if appropriate, provisional patent applications were filed. All twelve teams successfully developed device prototypes, and five teams obtained provisional patents. The prototypes that obtained provisional patents included a non-operative ureteral stent removal system, an evacuation device for small kidney stone fragments, a mechanical leech, an anchoring system of the chorio-amniotic membranes during fetal surgery, and a fetal oxygenation monitor during fetoscopic procedures. Capstone Engineering Design programs in partnership with surgical faculty at children's hospitals can play an effective role in the prototype development of novel pediatric medical devices. N/A - No clinical subjects or human testing was performed. Copyright © 2017 Elsevier Inc. All rights reserved.

Entitlement attitude in the workplace and its relationship to job satisfaction and organizational commitment

Directory of Open Access Journals (Sweden)

Sonya Asenova Dragova-Koleva

2017-05-01

Full Text Available Background This article is focused on the entitlement attitude in an organizational context. Its purpose was to examine the relationship of entitlement and its 3 components (active, passive and revengefulness with job satisfaction and organizational commitment. Participants and procedure Two independent studies were conducted to examine the discussed relationships. In study 1 and study 2 there participated respectively 110 and 95 full-time employees from both genders working in public and private organizations. The 30-item Bulgarian version of the Entitlement Questionnaire was used. Job satisfaction measurement included employees’ affective response to their overall job and to various aspects of their job. The three aspects of organizational commitment (affective, instrumental and normative were measured. Results Active entitlement had a positive effect on satisfaction with results, satisfaction with supervisor, pay satisfaction and overall job satisfaction. It was not related to organizational commitment. Passive entitlement had a positive effect on satisfaction with tasks, but it correlated negatively with pay satisfaction. Higher level of passive entitlement predicted instrumental commitment. Revengefulness was negatively related to task satisfaction, satisfaction with supervisor and overall satisfaction, and had a negative effect on affective commitment. Conclusions Different forms of entitlement have a diverse influence on the various aspects of job satisfaction and components of organizational commitment. Active and passive types of entitlement are more adaptive, whereas revengefulness is a maladaptive and dysfunctional attitude.

24 CFR 81.93 - Creation of Participant's Security Entitlement; security interests.

Science.gov (United States)

2010-04-01

... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Creation of Participant's Security... Procedures § 81.93 Creation of Participant's Security Entitlement; security interests. (a) A Participant's... Entitlement of a Participant in favor of the United States to secure deposits of public money, including...

Double degree master program: Optical Design

Science.gov (United States)

Bakholdin, Alexey; Kujawinska, Malgorzata; Livshits, Irina; Styk, Adam; Voznesenskaya, Anna; Ezhova, Kseniia; Ermolayeva, Elena; Ivanova, Tatiana; Romanova, Galina; Tolstoba, Nadezhda

2015-10-01

Modern tendencies of higher education require development of master programs providing achievement of learning outcomes corresponding to quickly variable job market needs. ITMO University represented by Applied and Computer Optics Department and Optical Design and Testing Laboratory jointly with Warsaw University of Technology represented by the Institute of Micromechanics and Photonics at The Faculty of Mechatronics have developed a novel international master double-degree program "Optical Design" accumulating the expertise of both universities including experienced teaching staff, educational technologies, and experimental resources. The program presents studies targeting research and professional activities in high-tech fields connected with optical and optoelectronics devices, optical engineering, numerical methods and computer technologies. This master program deals with the design of optical systems of various types, assemblies and layouts using computer modeling means; investigation of light distribution phenomena; image modeling and formation; development of optical methods for image analysis and optical metrology including optical testing, materials characterization, NDT and industrial control and monitoring. The goal of this program is training a graduate capable to solve a wide range of research and engineering tasks in optical design and metrology leading to modern manufacturing and innovation. Variability of the program structure provides its flexibility and adoption according to current job market demands and personal learning paths for each student. In addition considerable proportion of internship and research expands practical skills. Some special features of the "Optical Design" program which implements the best practices of both Universities, the challenges and lessons learnt during its realization are presented in the paper.

Symmetry and asymmetry in mandelate racemase catalysis

International Nuclear Information System (INIS)

Whitman, C.P.; Hegeman, G.D.; Cleland, W.W.; Kenyon, G.L.

1985-01-01

Kinetic properties of mandelate racemase catalysis (Vmax, Km, deuterium isotope effects, and pH profiles) were all measured in both directions by the circular dichroic assay of Sharp. These results, along with those of studying interactions of mandelate racemase with resolved, enantiomeric competitive inhibitors [(R)- and (S)-alpha-phenylglycerates], indicate a high degree of symmetry in both binding and catalysis. Racemization of either enantiomer of mandelate in D 2 O did not show an overshoot region of molecular ellipticity in circular dichroic measurements upon approach to equilibrium. Both the absence of such an overshoot region and the high degree of kinetic symmetry are consistent with a one-base acceptor mechanism for mandelate racemase. On the other hand, results of irreversible inhibition with partially resolved, enantiomeric affinity labels [(R)- and (S)-alpha-phenylglycidates] reveal a ''functional asymmetry'' at the active site. Mechanistic proposals, consistent with these results, are presented

Report on DOE - industry workshop on Computer-Aided Catalyst Design (CACD)

Energy Technology Data Exchange (ETDEWEB)

Hay, P.J. [comp.

1994-07-01

Representatives from industry, national laboratories, and the DOE met to review the status of the DOE-sponsored Computer-Aided Catalyst Design (CACD) program and to assess current industrial needs in CACD. Of the 40 participants at the workshop, nearly half were from industry representing 12 companies--Arco Chemical, Amoco Chemical, Biosym, Dow, DuPont, Exxon, Ford, General Motors, Mobil, Monsanto, W.R. Grace and Union Carbide--that included nine of the largest chemical producers in the U.S. representing $61 billion in chemical sales in 1993. An overview of developments in catalyst modeling at the national laboratories was presented, and current CACD-related activities at each of the companies were described by the industrial participants. The CACD program is addressing important industry needs and is having a significant impact despite the current limited scope and budget. The industrial participants urged the program to continue to target specific areas and to encourage collaborative work among the national labs. Industrial participants expressed strong interest in increased interactions with CACD activities at the national labs, where competencies in theory, modeling, and simulation complement the traditional strengths of catalysis expertise in industry. The chemical, refining and automotive industries face continual economic and environmental pressures for now or improved catalytic processes that are more efficient and produce fewer undesirable byproducts. CACD is viewed as an effective means to enhance experimental catalysis research. The industrial participants attested to the importance of developing and applying catalysis modeling capabilities. The companies represented at the meeting had varying degrees of activity in this area, and many already had significant interactions with national labs. As potential users of this technology, they strongly endorsed the work in the CACD program in the development of modeling capabilities.

18 CFR 1314.5 - Creation of Participant's Security Entitlement; security interests.

Science.gov (United States)

2010-04-01

... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Creation of Participant... FEDERAL RESERVE BANKS § 1314.5 Creation of Participant's Security Entitlement; security interests. (a) A... Security Entitlement of a Participant in favor of the United States to secure deposits of public money...

Exclusive purpose: abstinence-only proponents create federal entitlement in welfare reform.

Science.gov (United States)

Daley, D

1997-01-01

Since 1981, the US government has funded a program promoting sexual abstinence among young people through its Office of Population's Adolescent Family Life Demonstration Grants program (AFLA). A 1983 court challenge which held that AFLA violated the separation of church and state by endorsing a particular religious viewpoint was settled out of court in 1993 with stipulations that AFLA-funded sexuality education must not include religious references, must be medically accurate, must respect the principle of self-determination of teenagers regarding contraceptive referrals, and must not be implemented on church property. Critics continue to charge that AFLA's abstinence-only programs have failed to receive proper evaluation. While AFLA has no broad-based support, it is backed by the same small group of Congressional proponents who are attempting to promote broad-scale, federally-funded abstinence-only programs. Thus, the August 1996 welfare reform legislation represents the broadest attack on the provision of comprehensive sexuality education in the US. While opponents of sexuality education could not restrict the content of education programs, they could restrict programs through health policy and funding mechanisms. Congress, thus, mandated $50 million a year for 1998-2002 to a matching grant with entitlement status, which was tagged on to final versions of the larger welfare reform bill. The intent of this action was to use federal law to change the social norm of premarital sexual activity. Funds will not go to programs which discuss contraception. Additional problems with the statute include misinformation, ambiguity, and a lack of evaluation requirements. It remains for states to decide whether to accept the restricted funds and for parties on both sides of the issue to continue to lobby for their positions.

µ-reactors for Heterogeneous Catalysis

DEFF Research Database (Denmark)

Jensen, Robert

is described in detail. Since heating and temperature measurement is an extremely important point in heterogeneous catalysis an entire chapter is dedicated to this subject. Three different types of heaters have been implemented and tested both for repeatability and homogeneity of the heating as well...

Entitlement to concessionary public transport and wellbeing: a qualitative study of young people and older citizens in London, UK.

Science.gov (United States)

Jones, Alasdair; Goodman, Anna; Roberts, Helen; Steinbach, Rebecca; Green, Judith

2013-08-01

Access to transport is an important determinant of health, and concessionary fares for public transport are one way to reduce the 'transport exclusion' that can limit access. This paper draws on qualitative data from two groups typically at risk of transport exclusion: young people (12-18 years of age, n = 118) and older citizens (60+ years of age, n = 46). The data were collected in London, UK, where young people and older citizens are currently entitled to concessionary bus travel. We focus on how this entitlement is understood and enacted, and how different sources of entitlement mediate the relationship between transport and wellbeing. Both groups felt that their formal entitlement to travel for free reflected their social worth and was, particularly for older citizens, relatively unproblematic. The provision of a concessionary transport entitlement also helped to combat feelings of social exclusion by enhancing recipients' sense of belonging to the city and to a 'community'. However, informal entitlements to particular spaces on the bus reflected less valued social attributes such as need or frailty. Thus in the course of travelling by bus the enactment of entitlements to space and seats entailed the negotiation of social differences and personal vulnerabilities, and this carried with it potential threats to wellbeing. We conclude that the process, as well as the substance, of entitlement can mediate wellbeing; and that where the basis for providing a given entitlement is widely understood and accepted, the risks to wellbeing associated with enacting that entitlement will be reduced. Copyright © 2012 Elsevier Ltd. All rights reserved.

Environmental catalysis

Energy Technology Data Exchange (ETDEWEB)

Janssen, F.J.J.G.; Santen, R.A. van (eds.)

1999-04-01

Catalysts play key roles in the production of clean fuels, the conversion of waste and green raw materials into energy, clean combustion engines including control of NOx and soot production and reduction of greenhouse gases, production of clean water and polymers, as well as reduction from polymers to monometers. This book contains 15 chapters by experts in the field, on the theme of catalysts used to create a sustainable society. Chapters include: catalysts for renewable energy and chemicals, fuel cells, catalytic processes for high-quality transportation fuels; oxidative coupling of methane, methane utilisation via synthesis gas generation, catalytic combustion, catalytical removal of nitrate from water, contribution of catalysis towards the reduction of atmospheric air pollution (CO{sub 2}, CFCs, N{sub 2}O), ozone), emission control from mobile sources and from stationary sources, and deactivation, regeneration and recycling of hydroprocessing catalysts.

General-purpose RFQ design program

International Nuclear Information System (INIS)

Wadlinger, E.A.

1984-01-01

We have written a general-purpose, radio-frequency quadrupole (RFQ) design program that allows maximum flexibility in picking design algorithms. This program optimizes the RFQ on any combination of design parameters while simultaneously satisfying mutually compatible, physically required constraint equations. It can be very useful for deriving various scaling laws for RFQs. This program has a friendly user interface in addition to checking the consistency of the user-defined requirements and is written to minimize the effort needed to incorporate additional constraint equations. We describe the program and present some examples

Integrating computer programs for engineering analysis and design

Science.gov (United States)

Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

1983-01-01

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

Generating single-photon catalyzed coherent states with quantum-optical catalysis

Energy Technology Data Exchange (ETDEWEB)

Xu, Xue-xiang, E-mail: xuxuexiang@jxnu.edu.cn [Center for Quantum Science and Technology, Jiangxi Normal University, Nanchang 330022 (China); Yuan, Hong-chun [College of Electrical and Optoelectronic Engineering, Changzhou Institute of Technology, Changzhou 213002 (China)

2016-07-15

We theoretically generate single-photon catalyzed coherent states (SPCCSs) by means of quantum-optical catalysis based on the beam splitter (BS) or the parametric amplifier (PA). These states are obtained in one of the BS (or PA) output channels if a coherent state and a single-photon Fock state are present in two input ports and a single photon is registered in the other output port. The success probabilities of the detection (also the normalization factors) are discussed, which is different for BS and PA catalysis. In addition, we prove that the generated states catalyzed by BS and PA devices are actually the same quantum states after analyzing photon number distribution of the SPCCSs. The quantum properties of the SPCCSs, such as sub-Poissonian distribution, anti-bunching effect, quadrature squeezing effect, and the negativity of the Wigner function are investigated in detail. The results show that the SPCCSs are non-Gaussian states with an abundance of nonclassicality. - Highlights: • We generate single-photon catalyzed coherent states with quantum-optical catalysis. • We prove the equivalent effects of the lossless beam splitter and the non-degenerate parametric amplifier. • Some nonclassical properties of the generated states are investigated in detail.

ELECTROCHEMICAL PROMOTED CATALYSIS: TOWARDS PRACTICAL UTILIZATION

Directory of Open Access Journals (Sweden)

DIMITRIOS TSIPLAKIDES

2008-07-01

Full Text Available Electrochemical promotion (EP of catalysis has already been recognized as “a valuable development in catalytic research” (J. Pritchard, 1990 and as “one of the most remarkable advances in electrochemistry since 1950” (J. O’M. Bockris, 1996. Laboratory studies have clearly elucidated the phenomenology of electrochemical promotion and have proven that EP is a general phenomenon at the interface of catalysis and electrochemistry. The major progress toward practical utilization of EP is surveyed in this paper. The focus is given on the electropromotion of industrial ammonia synthesis catalyst, the bipolar EP and the development of a novel monolithic electropromoted reactor (MEPR in conjunction with the electropromotion of thin sputtered metal films. Future perspectives of electrochemical promotion applications in the field of hydrogen technologies are discussed.

Growth mechanism of graphene on platinum: Surface catalysis and carbon segregation

International Nuclear Information System (INIS)

Sun, Jie; Lindvall, Niclas; Yurgens, August; Nam, Youngwoo; Cole, Matthew T.; Teo, Kenneth B. K.; Woo Park, Yung

2014-01-01

A model of the graphene growth mechanism of chemical vapor deposition on platinum is proposed and verified by experiments. Surface catalysis and carbon segregation occur, respectively, at high and low temperatures in the process, representing the so-called balance and segregation regimes. Catalysis leads to self-limiting formation of large area monolayer graphene, whereas segregation results in multilayers, which evidently “grow from below.” By controlling kinetic factors, dominantly monolayer graphene whose high quality has been confirmed by quantum Hall measurement can be deposited on platinum with hydrogen-rich environment, quench cooling, tiny but continuous methane flow and about 1000 °C growth temperature

Effects of customer entitlement on service workers' physical and psychological well-being: a study of waitstaff employees.

Science.gov (United States)

Fisk, Glenda M; Neville, Lukas B

2011-10-01

This exploratory study examines the nature of customer entitlement and its impact on front-line service employees. In an open-ended qualitative inquiry, 56 individuals with waitstaff experience described the types of behaviors entitled customers engage in and the kinds of service-related "perks" these individuals feel deserving of. Participants explained how they responded to entitled customers, how and when managers became involved, and how their dealings with these patrons influenced their subjective physical and psychological well-being. We found that the behaviors of entitled customers negatively impacted waitstaff employees. Participants reported physiological arousal, negative affect, burnout, and feelings of dehumanization as a result of dealing with these patrons. While respondents drew on a variety of strategies to manage their encounters with entitled customers, they indicated workplace support was often informal and described feeling abandoned by management in dealing with this workplace stressor. Approaching customer entitlement as a form of microaggression, we offer recommendations for practice and suggest new directions for future research. . (PsycINFO Database Record (c) 2011 APA, all rights reserved).

Morphology-controlled synthesis of silver nanostructures via a seed catalysis process

Energy Technology Data Exchange (ETDEWEB)

Chen Chang; Wang Li; Yu Haojie; Wang Jianjun; Zhou Junfeng; Tan Qiaohua; Deng Libo [State Key Laboratory of Polymer Reaction Engineering, Zhejiang University, Hangzhou 310027 (China)

2007-03-21

A novel, effective strategy named 'seed catalysis' has been described here to synthesize silver nanostructures with controllable morphology. Typically, we added Na{sub 2}S into the reaction system and the Ag{sub 2}S semiconductor colloids formed at the initial stage would act as both seeds and catalyst in the silver reduction. The morphology of products is controlled by the concentration of Na{sub 2}S added to the system. Low concentration of Na{sub 2}S gives nanocubes of 40-50 nm in size, while a high concentration of Na{sub 2}S is of benefit to obtain nanowires. The growth of the silver crystal is also accelerated by the catalysis of Ag{sub 2}S. Electron microscopy and UV-vis absorption spectra have been used to investigate the evolution of silver nanowires, and a reasonable mechanism to explain the role of Ag{sub 2}S seeds has also been suggested. This semiconductor seed catalysis strategy will provide wide applications in the fabrication of metal nanomaterials.

Catalysis in Molten Ionic Media

DEFF Research Database (Denmark)

Boghosian, Soghomon; Fehrmann, Rasmus

2013-01-01

This chapter deals with catalysis in molten salts and ionic liquids, which are introduced and reviewed briefly, while an in-depth review of the oxidation catalyst used for the manufacturing of sulfuric acid and cleaning of flue gas from electrical power plants is the main topic of the chapter...

Combining cycloisomerization with trienamine catalysis: a regiochemically flexible enantio- and diastereoselective synthesis of hexahydroindoles.

Science.gov (United States)

Chintalapudi, V; Galvin, E A; Greenaway, R L; Anderson, E A

2016-01-14

The synthesis of polysubstituted hexahydroindoles through trienamine-organocatalyzed cycloadditions of pyrrolidinyl dienals, prepared by palladium-catalyzed cycloisomerization, is reported. The cycloadditions of this novel class of dienals proceed with excellent levels of enantio- and diastereoselectivity, with the regioselectivity of cycloaddition with respect to the tethering ring readily tuned through design of the cycloisomerization substrate. This work culminates in the first examples of double-stereodifferentiating trienamine catalysis, where catalyst stereocontrol dominates facial selectivity in the cycloaddition, affording azacyclic products that are specifically functionalized at every position.

Development of design program for air handling units

Energy Technology Data Exchange (ETDEWEB)

Ham, J. K.; Kim, J. H.; Kim, Y. K.; Kim, Y. I.; Kang, P. Y. [Hyundai Heavy Industries Co., Ltd., Ulsan (Korea, Republic of)

2000-07-01

An Air Handling Unit(AHU) has been usually designed by manual calculations. Drawing works together with design calculations should be redone for every designing work, and also be needed to make some corrections of them. In order to design the AHU more efficiently, an AHU program has been developed. The developed program on the Windows environment is operated by the Graphic User Interface(GUI) realized using the Visual Basic Interpreter. The program provides calculation sheet of coils, weights and pressures in a MS-Excel file format as well as design drawing of the AHU in a auto CAD file format idealized by AutoLISP. Those files of the commercial softwares make easier for a designer to transfer design results to the another company for bid via e-mail.

Development of design program for air handling units

International Nuclear Information System (INIS)

Ham, J. K.; Kim, J. H.; Kim, Y. K.; Kim, Y. I.; Kang, P. Y.

2000-01-01

An Air Handling Unit(AHU) has been usually designed by manual calculations. Drawing works together with design calculations should be redone for every designing work, and also be needed to make some corrections of them. In order to design the AHU more efficiently, an AHU program has been developed. The developed program on the Windows environment is operated by the Graphic User Interface(GUI) realized using the Visual Basic Interpreter. The program provides calculation sheet of coils, weights and pressures in a MS-Excel file format as well as design drawing of the AHU in a auto CAD file format idealized by AutoLISP. Those files of the commercial softwares make easier for a designer to transfer design results to the another company for bid via e-mail

Development of design program for air handling units

Energy Technology Data Exchange (ETDEWEB)

Ham, J.K.; Kim, J.H.; Kim, Y.K.; Kim, Y.I.; Kang, P.Y. [Hyundai Heavy Industries Co., Ltd. (Korea)

2000-11-01

An air handling unit(AHU) has been usually designed by manual calculations. Drawing works together with design calculations should be redone for every designing work, and also be needed to make some corrections of them. In order to design the AHU more efficiently, an AHU program has been developed. The developed program on the Windows environment is operated by the graphic user interface(GUI) realized using the Visual Basic Interpreter. The program provides calculation sheet of coils, weights and pressures in a MS-Excel file format as well as design drawing of the AHU in a Auto CAD file format idealized by AutoLISP. Those files of the commercial softwares make easier for a designer to transfer design results to the another company for bid via e-mail. (author). 5 refs., 9 figs., 3 tabs.

Transition processes in the novel method of the muon catalysis investigation

International Nuclear Information System (INIS)

Filchenkov, V.V.

1997-01-01

The problem of modifying the interpretation of the results to be obtained with the novel method of muon catalysis investigation to take the fast transition processes into account is first considered. The results of exploring the process kinetics are compared with the ones found from the analysis of the appropriate Monte Carlo distributions. The calculation programs simulate both the kinetics and the registration system of the experiment which is now performed in the frame of the large international project TRITON. The main conclusion is that the multiplicity distribution of the fusion neutrons is 'invariant' under any assumptions of the fast transition stage

Homogeneous Catalysis with Metal Complexes Fundamentals and Applications

CERN Document Server

Duca, Gheorghe

2012-01-01

The book about homogeneous catalysis with metal complexes deals with the description of the reductive-oxidative, metal complexes  in a liquid phase (in polar solvents, mainly in water, and less in nonpolar solvents). The exceptional importance of the redox processes in chemical systems, in the reactions occuring in living organisms, the environmental processes, atmosphere, water, soil, and in industrial technologies (especially in food-processing industries) is discussed. The detailed practical aspects of the established regularities are explained for solving the specific practical tasks in various fields of industrial chemistry, biochemistry, medicine, analytical chemistry and ecological chemistry. The main scope of the book is the survey and systematization of the latest advances in homogeneous catalysis with metal complexes. It gives an overview of the research results and practical experience accumulated by the author during the last decade.

Hybrid nuclear reactors and muon catalysis

International Nuclear Information System (INIS)

Petrov, Yu.

1983-01-01

Three methods are described of the conversion of isotope 238 U to 239 Pu by neutron capture in fast breeder reactors, in the breeding blanket of hybrid thermonuclear reactors using neutrons generated by fusion and electronuclear breeding in which the target is bombarded with 1 GeV protons. Their possible use in power production is discussed. Another prospective energy source is the use of muon catalysis in the fusion of deuterium and tritium nuclei. (J.P.)

2008 Gordon Research Conference on Catalysis [Conference summary report

Energy Technology Data Exchange (ETDEWEB)

Soled, Stuart L.; Gray, Nancy Ryan

2009-01-01

The GRC on Catalysis is one of the most prestigious catalysis conferences as it brings together leading researchers from around the world to discuss their latest, most exciting work in catalysis. The 2008 conference will continue this tradition. The conference will cover a variety of themes including new catalytic materials, theoretical and experimental approaches to improve understanding of kinetics and transport phenomena, and state of the art nanoscale characterization probes to monitor active sites. The conference promotes interactions among established researchers and young scientists. It provides a venue for students to meet, talk to and learn from some of the world leading researchers in the area. It also gives them a platform for displaying their own work during the poster sessions. The informal nature of the meeting, excellent quality of the presentations and posters, and ability to meet many outstanding colleagues makes this an excellent conference.

Fuel channel in-service inspection programs program design for maximum cost effectiveness

International Nuclear Information System (INIS)

Van den Brekel, N.C.

1995-01-01

Inspection is an integral part of fuel channel life management strategy. Inspection data is used to assess the state of reactor core integrity and provide the information necessary to optimize long term maintenance programs. This paper will provide an overview of the structured approach to developing fuel channel inspection programs within OHN. The inspection programs are designed to balance the resources utilized (cost, outage time, and dose expenditure) with the benefits provided by the inspection data obtained (improved knowledge of component status, degradation mechanisms and rates, etc..). The CANDU community has yet to have a fuel channel operate for a full 30 year design life. Since research programs can not fully simulate reactor operating conditions, inspections become an essential feature of the life management strategy as the components age. Inspection programs often include activities designed to develop predictive capability for long term fuel channel behaviour and provide early warning of changes in behaviour. It should be noted that although this paper addresses the design of fuel channel inspection programs, the basic principles presented can be applied to the design of inspection programs for any major power plant component or system. (author)

Oxidase catalysis via aerobically generated hypervalent iodine intermediates

Science.gov (United States)

Maity, Asim; Hyun, Sung-Min; Powers, David C.

2018-02-01

The development of sustainable oxidation chemistry demands strategies to harness O2 as a terminal oxidant. Oxidase catalysis, in which O2 serves as a chemical oxidant without necessitating incorporation of oxygen into reaction products, would allow diverse substrate functionalization chemistry to be coupled to O2 reduction. Direct O2 utilization suffers from intrinsic challenges imposed by the triplet ground state of O2 and the disparate electron inventories of four-electron O2 reduction and two-electron substrate oxidation. Here, we generate hypervalent iodine reagents—a broadly useful class of selective two-electron oxidants—from O2. This is achieved by intercepting reactive intermediates of aldehyde autoxidation to aerobically generate hypervalent iodine reagents for a broad array of substrate oxidation reactions. The use of aryl iodides as mediators of aerobic oxidation underpins an oxidase catalysis platform that couples substrate oxidation directly to O2 reduction. We anticipate that aerobically generated hypervalent iodine reagents will expand the scope of aerobic oxidation chemistry in chemical synthesis.

Approaching Corporate Social Responsibility through Kenneth Burke's Notions of Terministic Screens and Entitlement

DEFF Research Database (Denmark)

Kampf, Constance

summarizes Burke's essay, "Antinomies of Definition," from a Grammar of Motives as demonstrating that 'the intrinsic and the extrinsic can change places' "such that to define is always to contextualize and to uncover the absence of a solid ground for a claim to knowledge."2   So if the intrinsic...... allow for user agency, whereas entitlement appears to be focused more at the cultural level, with the agency shared by the 'tribe,' the language itself, and the context of situation.1 In other words, "terministic screens" appear to be extrinsic, while "entitlement" appears to be intrinsic.  Carmichael...... and extrinsic can change places, the interpretive process of "terministic screens" and the constitutive process of "entitlement" may well be reciprocal.  The implications of this reciprocity can be used as a basis for understanding the linguistic and cultural components of Corporate Social Responsibility...

Identifying Two Groups of Entitled Individuals: Cluster Analysis Reveals Emotional Stability and Self-Esteem Distinction.

Science.gov (United States)

Crowe, Michael L; LoPilato, Alexander C; Campbell, W Keith; Miller, Joshua D

2016-12-01

The present study hypothesized that there exist two distinct groups of entitled individuals: grandiose-entitled, and vulnerable-entitled. Self-report scores of entitlement were collected for 916 individuals using an online platform. Model-based cluster analyses were conducted on the individuals with scores one standard deviation above mean (n = 159) using the five-factor model dimensions as clustering variables. The results support the existence of two groups of entitled individuals categorized as emotionally stable and emotionally vulnerable. The emotionally stable cluster reported emotional stability, high self-esteem, more positive affect, and antisocial behavior. The emotionally vulnerable cluster reported low self-esteem and high levels of neuroticism, disinhibition, conventionality, psychopathy, negative affect, childhood abuse, intrusive parenting, and attachment difficulties. Compared to the control group, both clusters reported being more antagonistic, extraverted, Machiavellian, and narcissistic. These results suggest important differences are missed when simply examining the linear relationships between entitlement and various aspects of its nomological network.

Asymmetric Aminalization via Cation-Binding Catalysis

DEFF Research Database (Denmark)

Park, Sang Yeon; Liu, Yidong; Oh, Joong Suk

2018-01-01

Asymmetric cation-binding catalysis, in principle, can generate "chiral" anionic nucleophiles, where the counter cations are coordinated within chiral environments. Nitrogen-nucleophiles are intrinsically basic, therefore, its use as nucleophiles is often challenging and limiting the scope of the...

20 CFR 410.250 - Effect of conviction of felonious and intentional homicide on entitlement to benefits.

Science.gov (United States)

2010-04-01

... intentional homicide on entitlement to benefits. 410.250 Section 410.250 Employees' Benefits SOCIAL SECURITY... conviction of felonious and intentional homicide on entitlement to benefits. An individual who has been finally convicted by a court of competent jurisdiction of the felonious and intentional homicide of a...

Electrospun doping of carbon nanotubes and platinum nanoparticles into the β-phase polyvinylidene difluoride nanofibrous membrane for biosensor and catalysis applications.

Science.gov (United States)

Zhang, Panpan; Zhao, Xinne; Zhang, Xuan; Lai, Yue; Wang, Xinting; Li, Jingfeng; Wei, Gang; Su, Zhiqiang

2014-05-28

A novel β-phase polyvinylidene difluoride (PVDF) nanofibrous membrane decorated with multiwalled carbon nanotubes (MWCNTs) and platinum nanoparticles (PtNPs) was fabricated by an improved electrospinning technique. The morphology of the fabricated PVDF-MWCNT-PtNP nanofibrous membrane was observed by scanning electron microscopy, and the formation of high β-phase in the hybrid nanofibrous membrane was investigated by Fourier transform infrared spectroscopy and differential scanning calorimetry. The uniform dispersion of MWCNTs and PtNPs in the PVDF hybrid nanofibrous membrane and their interaction were explored by transmission electron microscopy and X-ray diffraction. For the first time, we utilized this created PVDF-MWCNT-PtNP nanofibrous membrane for biosensor and catalysis applications. The nonenzymatic amperometric biosensor with highly stable and sensitive, and selective detection of both H2O2 and glucose was successfully fabricated based on the electrospun PVDF-MWCNT-PtNP nanofibrous membrane. In addition, the catalysis of the hybrid nanofibrous membrane for oxygen reduction reaction was tested, and a good catalysis performance was found. We anticipate that the strategies utilized in this work will not only guide the further design of functional nanofiber-based biomaterials and biodevices but also extend the potential applications in energy storage, cytology, and tissue engineering.

From furfural to fuel: synthesis of furoins by organocatalysis and their hydrodeoxygenation by cascade catalysis.

Science.gov (United States)

Wegenhart, Benjamin L; Yang, Linan; Kwan, Soon Cheong; Harris, Remi; Kenttämaa, Hilkka I; Abu-Omar, Mahdi M

2014-09-01

The synthesis of furoins from biomass-derived furfural and 2-methylfurfural is demonstrated in high yields in green and renewable solvents using N-heterocyclic carbene organocatalysts. The resulting furoin molecules are used as precursors for fuels using cascade catalysis, first by using Pd/C with acidic co-catalysts under very mild conditions to yield oxygenated C12 molecules. Two main products were formed, which we identified as 1,2-bis(5-methyltetrahydrofuran-2-yl)ethane and 1-(5-methyltetrahydrofuran-2-yl)heptanol. The use of a Pd/Zeolite-β catalyst under more extreme conditions resulted in the complete hydrodeoxygenation of 5,5'-dimethylfuroin to dodecanes in high yields (76%) and exceptional selectivity (94%) for n-dodecane. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

KAUST Repository

Li, Huaifeng

2014-12-01

Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands\\' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

KAUST Repository

Li, Huaifeng; Zheng, Bin; Huang, Kuo-Wei

2014-01-01

Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

Crown ethers and phase transfer catalysis in polymer science

CERN Document Server

Carraher, Charles

1984-01-01

Phase transfer catalysis or interfacial catalysis is a syn­ thetic technique involving transport of an organic or inorganic salt from a solid or aqueous phase into an organic liquid where reaction with an organic-soluble substrate takes place. Over the past 15 years there has been an enormous amount of effort invested in the development of this technique in organic synthe­ sis. Several books and numerous review articles have appeared summarizing applications in which low molecular weight catalysts are employed. These generally include either crown ethers or onium salts of various kinds. While the term phase transfer catalysis is relatively new, the concept of using a phasetrans­ fer agent (PTA) is much older~ Both Schnell and Morgan employed such catalysts in synthesis of polymeric species in the early 1950's. Present developments are really extensions of these early applications. It has only been within the last several years that the use of phase transfer processes have been employed in polymer synthesis...

Solar fuels generation and molecular systems: is it homogeneous or heterogeneous catalysis?

Science.gov (United States)

Artero, Vincent; Fontecave, Marc

2013-03-21

Catalysis is a key enabling technology for solar fuel generation. A number of catalytic systems, either molecular/homogeneous or solid/heterogeneous, have been developed during the last few decades for both the reductive and oxidative multi-electron reactions required for fuel production from water or CO(2) as renewable raw materials. While allowing for a fine tuning of the catalytic properties through ligand design, molecular approaches are frequently criticized because of the inherent fragility of the resulting catalysts, when exposed to extreme redox potentials. In a number of cases, it has been clearly established that the true catalytic species is heterogeneous in nature, arising from the transformation of the initial molecular species, which should rather be considered as a pre-catalyst. Whether such a situation is general or not is a matter of debate in the community. In this review, covering water oxidation and reduction catalysts, involving noble and non-noble metal ions, we limit our discussion to the cases in which this issue has been directly and properly addressed as well as those requiring more confirmation. The methodologies proposed for discriminating homogeneous and heterogeneous catalysis are inspired in part by those previously discussed by Finke in the case of homogeneous hydrogenation reaction in organometallic chemistry [J. A. Widegren and R. G. Finke, J. Mol. Catal. A, 2003, 198, 317-341].

Tandem rhodium catalysis: exploiting sulfoxides for asymmetric transition-metal catalysis.

Science.gov (United States)

Kou, K G M; Dong, V M

2015-06-07

Sulfoxides are uncommon substrates for transition-metal catalysis due to their propensity to inhibit catalyst turnover. In a collaborative effort with Ken Houk, we developed the first dynamic kinetic resolution (DKR) of allylic sulfoxides using asymmetric rhodium-catalyzed hydrogenation. A detailed mechanistic analysis of this transformation using both experimental and theoretical methods revealed rhodium to be a tandem catalyst that promoted both hydrogenation of the alkene and racemization of the allylic sulfoxide. Using a combination of deuterium labelling and DFT studies, a novel mode of allylic sulfoxide racemization via a Rh(III)-π-allyl intermediate was identified.

International symposium on 'applications of zeolites in heterogeneous catalysis'

Energy Technology Data Exchange (ETDEWEB)

1978-11-01

The International Symposium on applications of zeolites in heterogeneous catalysis, organized by the Hungarian Chemical Society (Szeged, Hung. 9/11-14/78), included 48 papers, which were published in the Vertical Bar3Vertical BarActa Phys. Chem. (Szeged) 24.

Robert Nozick's entitlement theory of justice: a critique | Nnajiofor ...

African Journals Online (AJOL)

The burden of this paper is to critique Robert Nozick's entitlement theory of justice which was drafted as an argument against traditional distribution theories. Nozick's theory of justice claims that whether a distribution is just or not depend entirely on how it came about. By contrast, justice according to equality, need, desert or ...

78 FR 46418 - Proposed Information Collection (Obligation To Report Factors Affecting Entitlement) Activity...

Science.gov (United States)

2013-07-31

... (Obligation To Report Factors Affecting Entitlement) Activity; Comment Request AGENCY: Veterans Benefits... use of other forms of information technology. Title: Obligation to Report Factors Affecting... entitlement factors. Individual factors such as income, marital status, and the beneficiary's number of...

Heterogeneous catalysis in highly sensitive microreactors

DEFF Research Database (Denmark)

Olsen, Jakob Lind

This thesis present a highly sensitive silicon microreactor and examples of its use in studying catalysis. The experimental setup built for gas handling and temperature control for the microreactor is described. The implementation of LabVIEW interfacing for all the experimental parts makes...

Transition metal catalysis in confined spaces

NARCIS (Netherlands)

Leenders, S.H.A.M.

2016-01-01

Chemical reactions are required for the conversion of feedstocks to valuable materials, such as different types of plastics, pharmaceutical ingredients and advanced materials. In order to facilitate the conversion of these feedstocks to a wide array of products, catalysis plays a prominent role.

Kokes Awards for the 25th North American Catalysis Society Meeting

Energy Technology Data Exchange (ETDEWEB)

Pylypenko, Svitlana [Colorado School of Mines, Golden, CO (United States). Chemistry Dept. and Materials Science Program

2018-03-13

The biennial North American Catalysis Society (NACS) meeting is the premiere conferences in the area of catalysis, surface science, and reaction engineering. The 25th installment of this meeting will be held the week of June 4-9, 2017 in Denver, CO at the Hyatt Regency Hotel. Meeting objectives include bringing together leading researchers for intensive scientific exchange, providing students with an opportunity to present their work and interact with leaders in the field, and participate in service to scientific/technical community. Financial support to offset a portion of the associated costs – and specifically, registration fees, airline tickets, and hotel accommodations – encourages greater participation by graduate and undergraduate students, and often provides them the only opportunity to attend and meaningfully contribute to the conference. The funds sought in this proposal will be in support of the Richard J. Kokes Travel Award program. The eligibility criteria for undergraduates and graduate students applying for a merit-based Awards are that they must study at a university within the United States and present either a poster or presentation at the meeting. In the previous meeting in Pittsburgh, NACS received 200 applications and funded 110 students. Similarly, during the meeting in Louisville, NACS received 225 applications and funded nearly half of them. The NACS has an on-going tradition of encouraging graduate students (and more recently, undergraduates as well) to participate in and serve at the national meetings Providing financial support is one of the most effective means of accomplishing this goal. Their attendance significantly broadens their scientific training beyond what can be accomplished in the classroom, and offers them an opportunity to improve their communication and presentation skills. As an attendee to the 25th NAM, students will participate by listening to presentations from leading researchers from the U.S. and abroad, and they

Between availability and entitlement: The Constitution, Grootboom ...

African Journals Online (AJOL)

Between availability and entitlement: The Constitution, Grootboom and the right to food. Danie Brand. Abstract. No Abstract. Full Text: EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT · AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians ...

A spectral study of the elementary step of proton transfer in heterogeneous acid catalysis

Energy Technology Data Exchange (ETDEWEB)

Kazanskii, V B

1977-09-01

A spectral study of the elementary step of proton transfer in heterogeneous acid catalysis involved a determination of the potential curves of the OH bond in surface hydroxyl groups (e.g., those on silica, NaHY zeolite, or glass) of differing acidity from IR stretching frequency data in the overtone region; a calculation of the activation energies for proton transfer during acid catalysis from the changes in the curve forms after adsorption of various molecules (e.g., water, ammonia, benzene, toluene, xylenes, acetone, and cyclohexane); and a comparison of the IR predictions with quantum-chemical calculations of the potential curves. The results appear to furnish a new criterion for the coordinate of reactions involving Broensted sites: if the activation energy measured during actual catalysis is close to that calculated from the IR stretching data, the reaction proceeds by the stepwise mechanism of acid catalysis; but if these values differ greatly, the reaction involves a concerted mechanism (i.e., activation of the adsorbed molecule without involvement of OH groups). Tables, graphs, and 15 references.

Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches

Energy Technology Data Exchange (ETDEWEB)

Tao, Franklin [Univ. of Kansas, Lawrence, KS (United States). Dept. of Chemical and Petroleum Engineering. Dept. of Chemistry

2015-09-14

Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co₃O₄ or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with different binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few

Fifth SIAM conference on geometric design 97: Final program and abstracts. Final technical report

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

The meeting was divided into the following sessions: (1) CAD/CAM; (2) Curve/Surface Design; (3) Geometric Algorithms; (4) Multiresolution Methods; (5) Robotics; (6) Solid Modeling; and (7) Visualization. This report contains the abstracts of papers presented at the meeting. Proceding the conference there was a short course entitled ``Wavelets for Geometric Modeling and Computer Graphics``.

Safe water: an enquiry into water entitlements and human rights

NARCIS (Netherlands)

Gaay Fortman, B. de

2006-01-01

Privatisation of water delivery is a human rights issue in two distinct ways. Firstly, it implies an institutional change that will tend to impinge on existing access to water. While basic water entitlements are supposed to be protected by human rights law, this is likely to influence

Supported ionic liquid-phase (SILP) catalysis

DEFF Research Database (Denmark)

Riisager, Anders; Fehrmann, Rasmus; Wasserscheid, P.

2005-01-01

The concept of supported ionic liquid-phase (SILP) catalysis has been demonstrated for gas- and liquid-phase continuous fixed-bed reactions using rhodium phosphine catalyzed hydroformylation of propene and 1-octene as examples. The nature of the support had important influence on both the catalytic...

Synthesis of biodiesel from soybean oil by coupling catalysis with subcritical methanol

International Nuclear Information System (INIS)

Yin Jianzhong; Xiao Min; Wang Aiqin; Xiu Zhilong

2008-01-01

Biodiesel synthesis from soybean oil and methanol was investigated under supercritical and subcritical conditions. Under the supercritical conditions, the maximum methyl ester yield exceeded 98% when the molar ratio of methanol to oil was 42:1 and the reaction temperature ranged from 260 deg. C to 350 deg. C. In order to decrease the operational temperature and pressures and to increase the conversion efficiency of methanol, first co-solvent was added to the reaction mixture to improve the reaction process, and then a novel idea was presented in which catalysis and supercritical effect were coupled together. Thus, with 2.5 wt% hexane, temperature of 300 deg. C, methanol to oil ratio of 42, a 85.5% conversion is observed in 30 min, while a 62.2% conversion is observed without hexane in the same condition; with less carbon dioxide, temperature of 300 deg. C, methanol to oil ratio of 42, a 91.6% conversion is observed in 20 min, while a 51.4% conversion is observed without carbon dioxide in the same condition; With only a little amount of potassium hydroxide as the catalyst (KOH/oil = 0.1 wt%), a 98% yield of methyl esters was obtained in 10 min at a reaction temperature of 160 deg. C and the molar ratio (methanol/oil) of 24:1. In contrast, above 1 wt% of catalyst is required in the conventional alkali-catalyzed method; while only 6% yield of methyl ester was obtained at 260 deg. C (corresponding to subcritical conditions) without the catalyst. This result demonstrated that by coupling the catalysis and subcritical operation, the amount of catalyst could be largely reduced and the methanol utilization could be significantly enhanced. Thus, the present method offers some advantages over both the conventional alkali-catalyst method and the expensive supercritical method

Program Theory for Participatory Design

DEFF Research Database (Denmark)

Bossen, Claus; Dindler, Christian; Iversen, Ole Sejer

2018-01-01

How does participatory design work and what are the links between investments in terms of time, people and skills, the processes and the resulting effects? This paper explores program theory as a way for Participatory Design (PD) to investigate and evaluate these issues. Program theory comes out...

Anatomy of the magnetic catalysis by renormalization-group method

Science.gov (United States)

Hattori, Koichi; Itakura, Kazunori; Ozaki, Sho

2017-12-01

We first examine the scaling argument for a renormalization-group (RG) analysis applied to a system subject to the dimensional reduction in strong magnetic fields, and discuss the fact that a four-Fermi operator of the low-energy excitations is marginal irrespective of the strength of the coupling constant in underlying theories. We then construct a scale-dependent effective four-Fermi interaction as a result of screened photon exchanges at weak coupling, and establish the RG method appropriately including the screening effect, in which the RG evolution from ultraviolet to infrared scales is separated into two stages by the screening-mass scale. Based on a precise agreement between the dynamical mass gaps obtained from the solutions of the RG and Schwinger-Dyson equations, we discuss an equivalence between these two approaches. Focusing on QED and Nambu-Jona-Lasinio model, we clarify how the properties of the interactions manifest themselves in the mass gap, and point out an importance of respecting the intrinsic energy-scale dependences in underlying theories for the determination of the mass gap. These studies are expected to be useful for a diagnosis of the magnetic catalysis in QCD.

Nanostructured Membranes for Green Synthesis of Nanoparticles and Enzyme Catalysis

Science.gov (United States)

Macroporous membranes functionalized with ionizable macromolecules provide promising applications in toxic metal capture at high capacity, nanoparticle synthesis, and catalysis. Our low‐pressure membrane approach is marked by reaction and separation selectivity and their tunabili...

Nanostructured Membranes for Enzyme Catalysis and Green Synthesis of Nanoparticles

Science.gov (United States)

Macroporous membranes functionalized with ionizable macromolecules provide promising applications in toxic metal capture at high capacity, nanoparticle synthesis, and catalysis. Our low-pressure membrane approach is marked by reaction and separation selectivity and their tunabil...

POLITENESS PRINCIPLE ANALYSIS IN CARTOON MOVIE ENTITLED STAND BY ME DORAEMON

Directory of Open Access Journals (Sweden)

Eko Mulyono

2016-04-01

Full Text Available This article examines the use of politeness principle in cartoon movie entitled “Stand By Me Doraemon”. It aims at giving a description on the use of politeness principle in this movie so that this is the source of data as well. The data are collected by note taking technique and then analyzed descriptively. After analyzing the data, the researcher finds the use of politeness principle in the movie script. They are utterances of the use of politeness principle covering the kinds of maxim in politeness principle. The utterances covey the use of tact maxim, generosity maxim, approbation maxim, modesty maxim, agreement maxim, and sympathy maxim. Then, it focused also in politeness scale such as formality scale, hesitancy scale, and equality scale. The finding result showed that there are 25 politeness principle found in cartoon movie “Stand By Me Doraemon”. 1 tact maxim, 3 generosity maxim, 6 approbation maxim, 1 modesty maxim, 2 agreement maxim, 3 sympathy maxim, 2 formality scale, 4 hesitancy scale, and 3 equality scale. Approbation maxim is the maxim of the most numerous in the movie. This is because the characters in this film seek to avoid conflict and create an environment that is comfortable in communication.   Key words: politeness principle, cartoon movie, utterance, maxim, scale.

Permissive Parenting and Mental Health in College Students: Mediating Effects of Academic Entitlement

Science.gov (United States)

Barton, Alison L.; Hirsch, Jameson K.

2016-01-01

Objective: Student mental health may suffer due to unreasonable expectations associated with academic entitlement; permissive parenting may be one source of these expectations. The authors examined the role of academic entitlement as a mediator of the relationship between permissive parenting and psychological functioning. Participants:…

Current trends of surface science and catalysis

CERN Document Server

Park, Jeong Young

2014-01-01

Including detail on applying surface science in renewable energy conversion, this book covers the latest results on model catalysts including single crystals, bridging "materials and pressure gaps", and hot electron flows in heterogeneous catalysis.

Multimedia messages in genetics: design, development, and evaluation of a computer-based instructional resource for secondary school students in a Tay Sachs disease carrier screening program.

Science.gov (United States)

Gason, Alexandra A; Aitken, MaryAnne; Delatycki, Martin B; Sheffield, Edith; Metcalfe, Sylvia A

2004-01-01

Tay Sachs disease is a recessively inherited neurodegenerative disorder, for which carrier screening programs exist worldwide. Education for those offered a screening test is essential in facilitating informed decision-making. In Melbourne, Australia, we have designed, developed, and evaluated a computer-based instructional resource for use in the Tay Sachs disease carrier screening program for secondary school students attending Jewish schools. The resource entitled "Genetics in the Community: Tay Sachs disease" was designed on a platform of educational learning theory. The development of the resource included formative evaluation using qualitative data analysis supported by descriptive quantitative data. The final resource was evaluated within the screening program and compared with the standard oral presentation using a questionnaire. Knowledge outcomes were measured both before and after either of the educational formats. Data from the formative evaluation were used to refine the content and functionality of the final resource. The questionnaire evaluation of 302 students over two years showed the multimedia resource to be equally effective as an oral educational presentation in facilitating participants' knowledge construction. The resource offers a large number of potential benefits, which are not limited to the Tay Sachs disease carrier screening program setting, such as delivery of a consistent educational message, short delivery time, and minimum financial and resource commitment. This article outlines the value of considering educational theory and describes the process of multimedia development providing a framework that may be of value when designing genetics multimedia resources in general.

20 CFR 725.228 - Effect of conviction of felonious and intentional homicide on entitlement to benefits.

Science.gov (United States)

2010-04-01

... intentional homicide on entitlement to benefits. 725.228 Section 725.228 Employees' Benefits EMPLOYMENT... intentional homicide on entitlement to benefits. An individual who has been convicted of the felonious and intentional homicide of a miner or other beneficiary shall not be entitled to receive any benefits payable...

Catalysis of heat-to-work conversion in quantum machines

Science.gov (United States)

Ghosh, A.; Latune, C. L.; Davidovich, L.; Kurizki, G.

2017-11-01

We propose a hitherto-unexplored concept in quantum thermodynamics: catalysis of heat-to-work conversion by quantum nonlinear pumping of the piston mode which extracts work from the machine. This concept is analogous to chemical reaction catalysis: Small energy investment by the catalyst (pump) may yield a large increase in heat-to-work conversion. Since it is powered by thermal baths, the catalyzed machine adheres to the Carnot bound, but may strongly enhance its efficiency and power compared with its noncatalyzed counterparts. This enhancement stems from the increased ability of the squeezed piston to store work. Remarkably, the fraction of piston energy that is convertible into work may then approach unity. The present machine and its counterparts powered by squeezed baths share a common feature: Neither is a genuine heat engine. However, a squeezed pump that catalyzes heat-to-work conversion by small investment of work is much more advantageous than a squeezed bath that simply transduces part of the work invested in its squeezing into work performed by the machine.

Understanding plasma catalysis through modelling and simulation—a review

International Nuclear Information System (INIS)

Neyts, E C; Bogaerts, A

2014-01-01

Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis. (paper)

Designing an orientation program for new faculty.

Science.gov (United States)

Holyfield, Lavern J; Berry, Charles W

2008-12-01

The Faculty Development Committee (FDC) at Baylor College of Dentistry (BCD) is charged with providing programs and activities that facilitate the success of existing faculty in the constantly changing environment of academia. In response to concerns regarding the challenges wrought by current and projected shortages of dental faculty across the nation, the FDC was prompted to assess development opportunities available to BCD faculty. A professional development resource that we found deficient was a formal, comprehensive orientation program for newly hired faculty. To guide the efforts of the committee in developing this program, a survey was designed and administered during an annual faculty retreat. Respondents were new and junior faculty, senior faculty, and some administrators. The results of the survey to determine requirements for new faculty orientation became the basis for formalizing BCD's new faculty orientation program. This article provides an overview of the new faculty orientation process from design to program implementation and describes the development and use of a faculty survey to determine the fundamental elements of a faculty development program, identification of essential individuals for designing/implementing the program, and implementation of a new faculty orientation program at BCD.

'Pizza, patients and points of view': Involving young people in the design of a post registration module entitled the adolescent with cancer.

Science.gov (United States)

Fallon, Sue; Smith, Joanna; Morgan, Sue; Stoner, Mandy; Austin, Catriona

2008-03-01

Health policy and education directives emphasise the need to involve service users and carers in healthcare, from service design and delivery to the education of healthcare professionals. This paper describes a pilot project aimed at eliciting teenagers and young people with cancer views in relation to the content of a continuing professional development module entitled 'adolescents with cancer'. Seven young people participated in the project. The project design was based on the PARTICIPATION - spice it up [Shephard, C., Treseder, P., 2002. spice it up! Dynamix, Swansea] framework, which aims to ensure effective and appropriate involvement of service users and carers. 'Post-it ideas storm' 'diamond ranking' and 'dot voting' were used to elicit the young people's views. The teenagers and young people could clearly articulate the qualities they felt nurses should have when caring for adolescents with cancer. They also identified topics they felt were important to include in the module, with an understanding of, and using, humour being given the highest priority. This was not originally included in the module timetable but as a direct result of consulting with the young people changes were made to reflect their views.

20 CFR 404.337 - When does my entitlement to widow's and widower's benefits start and end?

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false When does my entitlement to widow's and widower's benefits start and end? 404.337 Section 404.337 Employees' Benefits SOCIAL SECURITY... does my entitlement to widow's and widower's benefits start and end? (a) We will find you entitled to...

Uma perspectiva computacional sobre catálise enzimática A computational perspective on enzymatic catalysis

Directory of Open Access Journals (Sweden)

Guilherme M. Arantes

2008-01-01

Full Text Available Enzymes are extremely efficient catalysts. Here, part of the mechanisms proposed to explain this catalytic power will be compared to quantitative experimental results and computer simulations. Influence of the enzymatic environment over species along the reaction coordinate will be analysed. Concepts of transition state stabilisation and reactant destabilisation will be confronted. Divided site model and near-attack conformation hypotheses will also be discussed. Molecular interactions such as covalent catalysis, general acid-base catalysis, electrostatics, entropic effects, steric hindrance, quantum and dynamical effects will also be analysed as sources of catalysis. Reaction mechanisms, in particular that catalysed by protein tyrosine phosphatases, illustrate the concepts.

Re-Imagining Program Development and Re-Engineering Program Design.

Science.gov (United States)

Currie, Geoffrey M; Thomas, Catherine J

2018-05-03

Program development and review is a central part of institutional and industry quality assurance. Traditional approaches, while well established, present a number of barriers that could undermine process integrity and quality outcomes. Here a new approach to program development and design is explored with the goal of enhancing outcomes for students and institutions. Copyright © 2018 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

Radio catalysis application in degradation of complex organic samples

International Nuclear Information System (INIS)

Moreno L, A.

2014-01-01

The generation of wastewater is a consequence of human activities, industries to be the generators of a large part of these discharges. These contaminated waters can be processed for their remediation; however the recalcitrant organic compounds are hardly removed through conventional treatments applied, so that new technologies have been developed for disposal such as the advanced oxidation technologies or processes. With the aim of the study is to apply ionizing radiation as a method of remediation in wastewater, in this work were carried out experiments of radiolysis and radio catalysis, which are techniques considered advanced oxidation technologies, that consist in irradiate with 60 Co gamma radiation solutions of 4- chloro phenol and methylene blue, applied at different concentrations and using as process control measurements of the compound not degraded by UV-vis spectrophotometry at 507 and 664 nm for 4-chloro phenol and methylene blue respectively. At doses greater than 2.5 kGy were near-zero degradation. Degradation experiments were also conducted by photo catalysis by irradiation with a UV lamp of 354 nm wavelength. For 4-chloro phenol results showed that degradation is efficient (39%). With those previous results, these techniques were applied to degrade complex mixtures of organic compounds from samples of wastewater from a sewage treatment plant, where was considered as process control measurement of the dissolved organic carbon obtained by a spectrophotometric analysis at 254 nm, and a maximum of 26% degradation was obtained by applying 80 kGy. On the other hand, a series of experiments fractionating the irradiations at intervals of 20 kGy to obtain a cumulative dose of 80 kGy, which was 2.8 times greater with respect to degradation by radio catalysis with continuous irradiation. (Author)

Software tools to aid Pascal and Ada program design

Energy Technology Data Exchange (ETDEWEB)

Jankowitz, H.T.

1987-01-01

This thesis describes a software tool which analyses the style and structure of Pascal and Ada programs by ensuring that some minimum design requirements are fulfilled. The tool is used in much the same way as a compiler is used to teach students the syntax of a language, only in this case issues related to the design and structure of the program are of paramount importance. The tool operates by analyzing the design and structure of a syntactically correct program, automatically generating a report detailing changes that need to be made in order to ensure that the program is structurally sound. The author discusses how the model gradually evolved from a plagiarism detection system which extracted several measurable characteristics in a program to a model that analyzed the style of Pascal programs. In order to incorporate more-sophistical concepts like data abstraction, information hiding and data protection, this model was then extended to analyze the composition of Ada programs. The Ada model takes full advantage of facilities offered in the language and by using this tool the standard and quality of written programs is raised whilst the fundamental principles of program design are grasped through a process of self-tuition.

Core–shell nanoparticles: synthesis and applications in catalysis and electrocatalysis

Science.gov (United States)

Core–shell nanoparticles (CSNs) are a class of nanostructured materials that have recently received increased attention owing to their interesting properties and broad range of applications in catalysis, biology, materials chemistry and sensors. By rationally tuning the cores as ...

Biodiesel forming reactions using heterogeneous catalysis

Science.gov (United States)

Liu, Yijun

Biodiesel synthesis from biomass provides a means for utilizing effectively renewable resources, a way to convert waste vegetable oils and animal fats to a useful product, a way to recycle carbon dioxide for a combustion fuel, and production of a fuel that is biodegradable, non-toxic, and has a lower emission profile than petroleum-diesel. Free fatty acid (FFA) esterification and triglyceride (TG) transesterification with low molecular weight alcohols constitute the synthetic routes to prepare biodiesel from lipid feedstocks. This project was aimed at developing a better understanding of important fundamental issues involved in heterogeneous catalyzed biodiesel forming reactions using mainly model compounds, representing part of on-going efforts to build up a rational base for assay, design, and performance optimization of solid acids/bases in biodiesel synthesis. As FFA esterification proceeds, water is continuously formed as a byproduct and affects reaction rates in a negative manner. Using sulfuric acid (as a catalyst) and acetic acid (as a model compound for FFA), the impact of increasing concentrations of water on acid catalysis was investigated. The order of the water effect on reaction rate was determined to be -0.83. Sulfuric acid lost up to 90% activity as the amount of water present increased. The nature of the negative effect of water on esterification was found to go beyond the scope of reverse hydrolysis and was associated with the diminished acid strength of sulfuric acid as a result of the preferential solvation by water molecules of its catalytic protons. The results indicate that as esterification progresses and byproduct water is produced, deactivation of a Bronsted acid catalyst like H2SO4 occurs. Using a solid composite acid (SAC-13) as an example of heterogeneous catalysts and sulfuric acid as a homogeneous reference, similar reaction inhibition by water was demonstrated for homogeneous and heterogeneous catalysis. This similarity together with

Enzyme catalysis: a new definition accounting for noncovalent substrate- and product-like states.

Science.gov (United States)

Purich, D L

2001-07-01

Biological catalysis frequently causes changes in noncovalent bonding. By building on Pauling's assertion that any long-lived, chemically distinct interaction is a chemical bond, this article redefines enzyme catalysis as the facilitated making and/or breaking of chemical bonds, not just of covalent bonds. It is also argued that nearly every ATPase or GTPase is misnamed as a hydrolase and actually belongs to a distinct class of enzymes, termed here 'energases'. By transducing covalent bond energy into mechanical work, energases mediate such fundamental processes as protein folding, self-assembly, G-protein interactions, DNA replication, chromatin remodeling and even active transport.

Design and Analysis of Solar Smartflower Simulation by Solidwork Program

Science.gov (United States)

Mulyana, Tatang; Sebayang, Darwin; Fajrina, Fildzah; Raihan; Faizal, M.

2018-03-01

The potential of solar energy that is so large in Indonesia can be a driving force for the use of renewable energy as a solution for energy needs. Government with the community can utilize and optimize this technology to increase the electrification ratio up to 100% in all corners of Indonesia. Because of its modular and practical nature, making this technology easy to apply. One of the latest imported products that have started to be offered and sold in Indonesia but not yet widely used for solar power generation is the kind of smartflower. Before using the product, it is of course very important and immediately to undertake an in-depth study of the utilization, use, maintenance, repair, component supply and fabrication. The best way to know the above is through a review of the design and simulation. To meet this need, this paper presents a solar-smartflower design and then simulated using the facilities available in the solidwork program. Solid simulation express is a tool that serves to create power simulation of a design part modelling. With the simulation is very helpful at all to reduce errors in making design. Accurate or not a design created is also influenced by several other factors such as material objects, the silent part of the part, and the load given. The simulation is static simulation and body battery drop test, and based on the results of this simulation is known that the design results have been very satisfactory.

Design of incentive programs for accelerating penetration of energy-efficient appliances

International Nuclear Information System (INIS)

Rue du Can de la, Stephane; Leventis, Greg; Phadke, Amol; Gopal, Anand

2014-01-01

Incentives are policy tools that sway purchase, retail stocking, and production decisions toward energy-efficient products. Incentives complement mandatory standards and labeling policies by accelerating market penetration of products that are more energy efficient than required by existing standards and by preparing the market for more stringent future mandatory requirements. Incentives can be directed at different points in the appliance's supply chain; one point may be more effective than another depending on the technology's maturity and market penetration. This paper seeks to inform future policy and program design by categorizing the main elements of incentive programs from around the world. We identify advantages and disadvantages of program designs through a qualitative overview of incentive programs worldwide. We find that financial incentive programs have greater impact when they target highly efficient technologies with a small market share, and that program designs depend on the market barriers addressed, the target equipment, and the local market context. No program design is inherently superior to another. The key to successful program design and implementation is a thorough understanding of the market and identification of the most important local obstacles to the penetration of energy-efficient technologies. - Highlights: • We researched incentive programs design and implementation worldwide. • This paper seeks to inform future policy and program design. • We identify design and identify advantages and disadvantages. • We find that incentive programs have greater impact when they target highly efficient products. • Program designs depend on the market barriers addressed and the local market context

Electro-Catalysis System for Biodiesel Synthesis from Palm Oil over Dielectric-Barrier Discharge Plasma Reactor

Directory of Open Access Journals (Sweden)

Istadi Istadi

2014-07-01

Full Text Available Biodiesel synthesis reaction routes from palm oil using plasma electro-catalysis process over Dielectric-Barrier Discharge (DBD plasma reactor were studied. The study was focused on finding possible reaction mechanism route during plasma electro-catalysis process. The prediction was performed based on the changes of Gas Chromatography Mass Spectrometer (GC-MS and Fourier Transform Infra Red (FT-IR analyses to the biodiesel products with respect to time length of plasma treatment. It was found that main reaction mechanism occurred in the plasma electro-catalysis system was non-thermal pyrolysis rather than transesterification. The main reactions within the plasma treatment were due to collision between high energetic electrons (supplied from high voltage power supply through high voltage electrode and the reaction mixtures. The high energetic electrons affected the electrons pair of covalent bonding to be excited or dissociated even ionized at higher energy. Therefore, this plasma electro-catalysis system was promising for biodiesel synthesis from vegetable oils due to only very short time reaction was needed, even no need a catalyst, no soap formation, and no glycerol by-product. This system could produce fatty acid methyl ester yield of 75.65% at 120 seconds and other possible chemicals, such as alkynes, alkanes, esters, carboxylic acid, and aldehydes. However, during the plasma process, the reaction mechanisms were still difficult to be controlled due the action of available high energetic electrons. The advanced studies on how to control the reaction mechanism selectively in the plasma electro-catalysis will be published elsewhere. © 2014 BCREC UNDIP. All rights reservedReceived: 23rd January 2014; Revised: 20th March 2014; Accepted: 23rd March 2014[How to Cite: Istadi, I., Yudhistira, A.D., Anggoro, D.D., Buchori, L. (2014. Electro-Catalysis System for Biodiesel Synthesis from Palm Oil over Dielectric-Barrier Discharge Plasma Reactor

75 FR 68035 - Proposed Information Collection (Evidence for Transfer of Entitlement of Education Benefits...

Science.gov (United States)

2010-11-04

... (Evidence for Transfer of Entitlement of Education Benefits) Activity: Comment Request AGENCY: Veterans Benefits Administration, Department of Veterans Affairs. ACTION: Notice. SUMMARY: The Veterans Benefits... receive education benefits under the transfer of entitlement provision of law. Affected Public...

78 FR 59772 - Proposed Information Collection (Evidence for Transfer of Entitlement of Education Benefits...

Science.gov (United States)

2013-09-27

... (Evidence for Transfer of Entitlement of Education Benefits) Activity: Comment Request AGENCY: Veterans Benefits Administration, Department of Veterans Affairs. ACTION: Notice. SUMMARY: The Veterans Benefits... receive education benefits under the transfer of entitlement provision of law. Affected Public...

Computer Aided Design System for Developing Musical Fountain Programs

Institute of Scientific and Technical Information of China (English)

刘丹; 张乃尧; 朱汉城

2003-01-01

A computer aided design system for developing musical fountain programs was developed with multiple functions such as intelligent design, 3-D animation, manual modification and synchronized motion to make the development process more efficient. The system first analyzed the music form and sentiment using many basic features of the music to select a basic fountain program. Then, this program is simulated with 3-D animation and modified manually to achieve the desired results. Finally, the program is transformed to a computer control program to control the musical fountain in time with the music. A prototype system for the musical fountain was also developed. It was tested with many styles of music and users were quite satisfied with its performance. By integrating various functions, the proposed computer aided design system for developing musical fountain programs greatly simplified the design of the musical fountain programs.

Sustainable Catalysis_Energy efficient reactions and Applications

Science.gov (United States)

This book chapter discusses various catalysts for environmental remediation. Detailed information on catalysis using ferrate and ferrite oxidation, TiO2 photocatalysis, and new catalysts (i.e., graphene, perovskites and graphitic carbon nitride) is provided for the degradation of...

On the origin of the cobalt particle size effects in Fischer−Tropsch catalysis

NARCIS (Netherlands)

den Breejen, J.P.|info:eu-repo/dai/nl/304837318; Radstake, P.B.|info:eu-repo/dai/nl/304829587; Bezemer, G.L.; Bitter, J.H.|info:eu-repo/dai/nl/160581435; Froseth, V.; Holmen, A.; de Jong, K.P.|info:eu-repo/dai/nl/06885580X

2009-01-01

The effects of metal particle size in catalysis are of prime scientific and industrial importance and call for a better understanding. In this paper the origin of the cobalt particle size effects in Fischer−Tropsch (FT) catalysis was studied. Steady-State Isotopic Transient Kinetic Analysis (SSITKA)

New and future developments in catalysis activation of carbon dioxide

CERN Document Server

Suib, Steven L

2013-01-01

New and Future Developments in Catalysis is a package of books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes. This volume presents a complete picture of all carbon dioxide (CO2) sources, outlines the environmental concerns regarding CO2, and critica

Social Vulnerability to Climate Change and the Architecture of Entitlements

International Nuclear Information System (INIS)

Adger, W.N.; Kelly, P.M.

1999-01-01

The objective of this paper is to outline a conceptual model of vulnerability to climate change as the first step in appraising and understanding the social and economic processes which facilitate and constrain adaptation. Vulnerability as defined here pertains to individuals and social groups. It is the state of individuals, of groups, of communities defined in terms of their ability to cope with and adapt to any external stress placed on their livelihoods and well-being. This proposed approach puts the social and economic well-being of society at the centre of the analysis, thereby reversing the central focus of approaches to climate impact assessment based on impacts on and the adaptability of natural resources or ecosystems and which only subsequently address consequences for human well-being. The vulnerability or security of any group is determined by the availability of resources and, crucially, by the entitlement of individuals and groups to call on these resources. This perspective extends the concept of entitlements developed within neoclassical and institutional economics. Within this conceptual framework, vulnerability can be seen as a socially-constructed phenomenon influenced by institutional and economic dynamics. The study develops proxy indicators of vulnerability related to the structure of economic relations and the entitlements which govern them, and shows how these can be applied to a District in coastal lowland Vietnam. This paper outlines the lessons of such an approach to social vulnerability for the assessment of climate change at the global scale. We argue that the socio-economic and biophysical processes that determine vulnerability are manifest at the local, national, regional and global level but the state of vulnerability itself is associated with a specific population. Aggregation one level to another is therefore not appropriate and global-scale analysis is meaningful only in so far as it deals with the vulnerability of the global

Public service electric and gas company technical supervisory skills programs for nuclear power plant personnel

International Nuclear Information System (INIS)

Meredith, J.B.

1985-01-01

A series of training programs entitled Technical Supervisory Skills Programs for management personnel are described. The first level of this program, TSSP-1, is a seven week program designed for first-line supervisors and other selected management personnel responsible for directing the work forces in the stations. TSSP-1 includes training in PWR/BWR Technology, Supervision, Aberrant Behavior Identification, Labor Relations and Ethics, Technical Administration, Quality Assurance Program, On-the-job Training, and Specific Departmental Training. TSSP-2, TSSP-3, and TSSP-4 courses are described in this paper

Designing interfaces of hydrogenase-nanomaterial hybrids for efficient solar conversion.

Science.gov (United States)

King, Paul W

2013-01-01

The direct conversion of sunlight into biofuels is an intriguing alternative to a continued reliance on fossil fuels. Natural photosynthesis has long been investigated both as a potential solution, and as a model for utilizing solar energy to drive a water-to-fuel cycle. The molecules and organizational structure provide a template to inspire the design of efficient molecular systems for photocatalysis. A clear design strategy is the coordination of molecular interactions that match kinetic rates and energetic levels to control the direction and flow of energy from light harvesting to catalysis. Energy transduction and electron-transfer reactions occur through interfaces formed between complexes of donor-acceptor molecules. Although the structures of several of the key biological complexes have been solved, detailed descriptions of many electron-transfer complexes are lacking, which presents a challenge to designing and engineering biomolecular systems for solar conversion. Alternatively, it is possible to couple the catalytic power of biological enzymes to light harvesting by semiconductor nanomaterials. In these molecules, surface chemistry and structure can be designed using ligands. The passivation effect of the ligand can also dramatically affect the photophysical properties of the semiconductor, and energetics of external charge-transfer. The length, degree of bond saturation (aromaticity), and solvent exposed functional groups of ligands can be manipulated to further tune the interface to control molecular assembly, and complex stability in photocatalytic hybrids. The results of this research show how ligand selection is critical to designing molecular interfaces that promote efficient self-assembly, charge-transfer and photocatalysis. This article is part of a Special Issue entitled: Metals in Bioenergetics and Biomimetics Systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Impact of Secondary Interactions in Asymmetric Catalysis

OpenAIRE

Frölander, Anders

2007-01-01

This thesis deals with secondary interactions in asymmetric catalysis and their impact on the outcome of catalytic reactions. The first part revolves around the metal-catalyzed asymmetric allylic alkylation reaction and how interactions within the catalyst affect the stereochemistry. An OH–Pd hydrogen bond in Pd(0)–π-olefin complexes of hydroxy-containing oxazoline ligands was identified by density functional theory computations and helped to rationalize the contrasting results obtained emplo...

The Making of a Good Woman: Extended Parental Leave Entitlements and Mothers' Work Commitment in Germany.

Science.gov (United States)

Gangl, Markus; Ziefle, Andrea

2015-09-01

The authors investigate the relationship between family policy and women's attachment to the labor market, focusing specifically on policy feedback on women's subjective work commitment. They utilize a quasi-experimental design to identify normative policy effects from changes in mothers' work commitment in conjunction with two policy changes that significantly extended the length of statutory parental leave entitlements in Germany. Using unique survey data from the German Socio-Economic Panel and difference-in-differences, triple-differenced, and instrumental variables estimators for panel data, they obtain consistent empirical evidence that increasing generosity of leave entitlements led to a decline in mothers' work commitment in both East and West Germany. They also probe potential mediating mechanisms and find strong evidence for role exposure and norm setting effects. Finally, they demonstrate that policy-induced shifts in mothers' preferences have contributed to. retarding women's labor force participation after childbirth in Germany, especially as far as mothers' return to full-time employment is concerned.

Narcissistic self-esteem or optimal self-esteem? A Latent Profile Analysis of self-esteem and psychological entitlement

OpenAIRE

Stronge, Sam; Cichocka, Aleksandra; Sibley, Chris G.

2016-01-01

Research into the relationship between self-esteem and narcissism has produced conflicting results, potentially caused by hidden subpopulations that exhibit distinct positive or negative associations. This research uses Latent Profile Analysis to identify profiles within a national panel study (N = 6,471) with differing relationships between psychological entitlement and self-esteem. We identified a narcissistic self-esteem profile (9%) characterised by high entitlement and high self-esteem, ...

Anatomy of the magnetic catalysis by renormalization-group method

Directory of Open Access Journals (Sweden)

Koichi Hattori

2017-12-01

Full Text Available We first examine the scaling argument for a renormalization-group (RG analysis applied to a system subject to the dimensional reduction in strong magnetic fields, and discuss the fact that a four-Fermi operator of the low-energy excitations is marginal irrespective of the strength of the coupling constant in underlying theories. We then construct a scale-dependent effective four-Fermi interaction as a result of screened photon exchanges at weak coupling, and establish the RG method appropriately including the screening effect, in which the RG evolution from ultraviolet to infrared scales is separated into two stages by the screening-mass scale. Based on a precise agreement between the dynamical mass gaps obtained from the solutions of the RG and Schwinger–Dyson equations, we discuss an equivalence between these two approaches. Focusing on QED and Nambu–Jona-Lasinio model, we clarify how the properties of the interactions manifest themselves in the mass gap, and point out an importance of respecting the intrinsic energy-scale dependences in underlying theories for the determination of the mass gap. These studies are expected to be useful for a diagnosis of the magnetic catalysis in QCD.

Metallic nanosystems in catalysis

International Nuclear Information System (INIS)

Bukhtiyarov, Valerii I; Slin'ko, Mikhail G

2001-01-01

The reactivities of metallic nanosystems in catalytic processes are considered. The activities of nanoparticles in catalysis are due to their unique microstructures, electronic properties and high specific surfaces of the active centres. The problems of increasing the selectivities of catalytic processes are discussed using several nanosystems as examples. The mutual effects of components of bimetallic nanoparticles are discussed. The prospects for theoretical and experimental investigations into catalytic nanosystems and the construction of industrial catalysts based on them are evaluated. The bibliography includes 207 references.

Social policy and entitlements : a proposal for reform

NARCIS (Netherlands)

Nentjes, Andries; Meijer, G; Heijman, WJM; VanOphem, JAC; Verstegen, BHJ

2006-01-01

Welfare states citizens have entitlements to a variety of social services provided for free or a price far below cost, such as education, health care, social security and housing. Every citizen benefits, but in their present organisation the social services also have major deficiencies: lack of

DNA-based asymmetric organometallic catalysis in water

NARCIS (Netherlands)

Oelerich, Jens; Roelfes, Gerard

2013-01-01

Here, the first examples of DNA-based organometallic catalysis in water that give rise to high enantioselectivities are described. Copper complexes of strongly intercalating ligands were found to enable the asymmetric intramolecular cyclopropanation of alpha-diazo-beta-keto sulfones in water. Up to

Biodiesel production through in situ transesterification of sunflower seeds by homogeneous and heterogeneous catalysis; Producao de biodiesel atraves de transesterificacao in situ de sementes de girassol via catalise homogenea e heterogenea

Energy Technology Data Exchange (ETDEWEB)

Fama, Paola Ervatti; San Gil, Rosane Aguiar da Silva; Lachter, Elizabeth Roditi, E-mail: lachter@iq.ufrj.b [Universidade Federal do Rio de Janeiro (IQ/UFRJ), RJ (Brazil). Inst. de Quimica

2010-07-01

The objective of this work is to show the results of the in situ transesterification of sunflower seed oil with methanol on basic homogeneous and heterogeneous catalysis for the production of biodiesel. In homogeneous catalysis, the activity of K{sub O}H and K{sub 2}CO{sub 3} were evaluated using the same oil:methanol ratio of 1:90. KOH showed to be more active than K2CO{sub 3}, leading to total conversion in biodiesel after 1h reaction time. In the heterogeneous catalysis the activity of K{sub 2}CO{sub 3}/Al{sub 2}O{sub 3} was comparable to the activity of K{sub 2}CO{sub 3} bulk: 53.0 and 66.6% resp. The properties of samples of biodiesel produced by homogeneous and heterogeneous catalysis were evaluated and are in accordance with the recommended fuel properties. (author)

Liquid phase oxidation via heterogeneous catalysis organic synthesis and industrial applications

CERN Document Server

Clerici, Mario G

2013-01-01

Sets the stage for environmentally friendly industrial organic syntheses From basic principles to new and emerging industrial applications, this book offers comprehensive coverage of heterogeneous liquid-phase selective oxidation catalysis. It fully examines the synthesis, characterization, and application of catalytic materials for environmentally friendly organic syntheses. Readers will find coverage of all the important classes of catalysts, with an emphasis on their stability and reusability. Liquid Phase Oxidation via Heterogeneous Catalysis features contributions from an internation

ISOTOPE METHODS IN HOMOGENEOUS CATALYSIS.

Energy Technology Data Exchange (ETDEWEB)

BULLOCK,R.M.; BENDER,B.R.

2000-12-01

The use of isotope labels has had a fundamentally important role in the determination of mechanisms of homogeneously catalyzed reactions. Mechanistic data is valuable since it can assist in the design and rational improvement of homogeneous catalysts. There are several ways to use isotopes in mechanistic chemistry. Isotopes can be introduced into controlled experiments and followed where they go or don't go; in this way, Libby, Calvin, Taube and others used isotopes to elucidate mechanistic pathways for very different, yet important chemistries. Another important isotope method is the study of kinetic isotope effects (KIEs) and equilibrium isotope effect (EIEs). Here the mere observation of where a label winds up is no longer enough - what matters is how much slower (or faster) a labeled molecule reacts than the unlabeled material. The most careti studies essentially involve the measurement of isotope fractionation between a reference ground state and the transition state. Thus kinetic isotope effects provide unique data unavailable from other methods, since information about the transition state of a reaction is obtained. Because getting an experimental glimpse of transition states is really tantamount to understanding catalysis, kinetic isotope effects are very powerful.

Predictive Modeling in Actinide Chemistry and Catalysis

Energy Technology Data Exchange (ETDEWEB)

Yang, Ping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-16

These are slides from a presentation on predictive modeling in actinide chemistry and catalysis. The following topics are covered in these slides: Structures, bonding, and reactivity (bonding can be quantified by optical probes and theory, and electronic structures and reaction mechanisms of actinide complexes); Magnetic resonance properties (transition metal catalysts with multi-nuclear centers, and NMR/EPR parameters); Moving to more complex systems (surface chemistry of nanomaterials, and interactions of ligands with nanoparticles); Path forward and conclusions.

National Health Service Principles as Experienced by Vulnerable London Migrants in "Austerity Britain": A Qualitative Study of Rights, Entitlements, and Civil-Society Advocacy.

Science.gov (United States)

Rafighi, Elham; Poduval, Shoba; Legido-Quigley, Helena; Howard, Natasha

2016-05-08

Recent British National Health Service (NHS) reforms, in response to austerity and alleged 'health tourism,' could impose additional barriers to healthcare access for non-European Economic Area (EEA) migrants. This study explores policy reform challenges and implications, using excerpts from the perspectives of non-EEA migrants and health advocates in London. A qualitative study design was selected. Data were collected through document review and 22 in-depth interviews with non-EEA migrants and civil-society organisation representatives. Data were analysed thematically using the NHS principles. The experiences of those 'vulnerable migrants' (ie, defined as adult non-EEA asylum-seekers, refugees, undocumented, low-skilled, and trafficked migrants susceptible to marginalised healthcare access) able to access health services were positive, with healthcare professionals generally demonstrating caring attitudes. However, general confusion existed about entitlements due to recent NHS changes, controversy over 'health tourism,' and challenges registering for health services or accessing secondary facilities. Factors requiring greater clarity or improvement included accessibility, communication, and clarity on general practitioner (GP) responsibilities and migrant entitlements. Legislation to restrict access to healthcare based on immigration status could further compromise the health of vulnerable individuals in Britain. This study highlights current challenges in health services policy and practice and the role of non-governmental organizations (NGOs) in healthcare advocacy (eg, helping the voices of the most vulnerable reach policy-makers). Thus, it contributes to broadening national discussions and enabling more nuanced interpretation of ongoing global debates on immigration and health. © 2016 by Kerman University of Medical Sciences

Complexes with charge transfer and ion-radical salts in catalysis

Energy Technology Data Exchange (ETDEWEB)

Krylov, O V [AN SSSR, Moscow. Inst. Khimicheskoj Fiziki

1978-01-01

Considered are the data experimentally proving formation of complexes with charge transfer as intermediate complexes in homogeneous and heterogeneous catalysis. Catalytic activity correlations with charge transfer energy (and in heterogeneous catalysis with width of semiconductor forbidden band can be useful while selection of catalysts (MoO/sub 3//MgO; V/sub 2/O/sub 5//MgO; MoO/sub 3//Al/sub 2/O/sub 3/; V/sub 2/O/sub 5//Al/sub 2/O/sub 3/). A review of papers on catalytic activity of the previously prepared complexes with charge transfer and ion-radical salts is given. The use of alkali metal complexes with aromatic compounds showed their high activity in hydrogenation reactions and proved principle possibility of activation of hydrogen and hydrocarbons by the systems which do not contain transfer metals.

Methodology and assumptions for evaluating heating and cooling energy requirements in new single-family residential buildings: Technical support document for the PEAR (Program for Energy Analysis of Residences) microcomputer program

Energy Technology Data Exchange (ETDEWEB)

Huang, Y.J.; Ritschard, R.; Bull, J.; Byrne, S.; Turiel, I.; Wilson, D.; Hsui, C.; Foley, D.

1987-01-01

This report provides technical documentation for a software package called PEAR (Program for Energy Analysis of Residences) developed by LBL. PEAR offers an easy-to-use and accurate method of estimating the energy savings associated with various energy conservation measures used in site-built, single-family homes. This program was designed for use by non-technical groups such as home builders, home buyers or others in the buildings industry, and developed as an integral part of a set of voluntary guidelines entitled Affordable Housing Through Energy Conservation: A Guide to Designing and Constructing Energy Efficient Homes. These guidelines provide a method for selecting and evaluating cost-effective energy conservation measures based on the energy savings estimated by PEAR. This work is part of a Department of Energy program aimed at conducting research that will improve the energy efficiency of the nation's stock of conventionally-built and manufactured homes, and presenting the results to the public in a simplified format.

Enzymatic catalysis treatment method of meat industry wastewater using lacasse.

Science.gov (United States)

Thirugnanasambandham, K; Sivakumar, V

2015-01-01

The process of meat industry produces in a large amount of wastewater that contains high levels of colour and chemical oxygen demand (COD). So they must be pretreated before their discharge into the ecological system. In this paper, enzymatic catalysis (EC) was adopted to treat the meat wastewater. Box-Behnken design (BBD), an experimental design for response surface methodology (RSM), was used to create a set of 29 experimental runs needed for optimizing of the operating conditions. Quadratic regression models with estimated coefficients were developed to describe the colour and COD removals. The experimental results show that EC could effectively reduce colour (95 %) and COD (86 %) at the optimum conditions of enzyme dose of 110 U/L, incubation time of 100 min, pH of 7 and temperature of 40 °C. RSM could be effectively adopted to optimize the operating multifactors in complex EC process.

The advanced controls program at Oak Ridge National Laboratory

International Nuclear Information System (INIS)

Knee, H.E.; White, J.D.

1990-01-01

The Oak Ridge National Laboratory (ORNL), under sponsorship of the US Department of Energy (DOE), is conducting research that will lead to advanced, automated control of new liquid-metal-reactor (LMR) nuclear power plants. Although this program of research (entitled the ''Advanced Controls Program'') is focused on LMR technology, it will be capable of providing control design, test, and qualification capability for other advanced reactor designs (e.g., the advanced light water reactor [ALWR] and high temperature gas-cooled reactor [HTGR] designs), while also benefiting existing nuclear plants. The Program will also have applicability to complex, non-nuclear process control environments (e.g., petrochemical, aerospace, etc.). The Advanced Controls Program will support capabilities throughout the entire plant design life cycle, i.e., from the initial interactive first-principle dynamic model development for the process, systems, components, and instruments through advanced control room qualification. The current program involves five principal areas of research activities: (1) demonstrations of advanced control system designs, (2) development of an advanced controls design environment, (3) development of advanced control strategies, (4) research and development (R ampersand D) in human-system integration for advanced control system designs, and (5) testing and validation of advanced control system designs. Discussion of the research in these five areas forms the basis of this paper. Also included is a description of the research directions of the program. 8 refs

Basic package of health entitlements and solidarity in the Federation of Bosnia and Herzegovina.

Science.gov (United States)

Hrabac, B; Ljubic, B; Bagaric, I

2000-09-01

The aim of this report is to provide an overview of the methodology for designing a basic package of health entitlements and solidarity in the Federation of Bosnia and Herzegovina which will, respecting the principles of solidarity and equity, guarantee equal rights to all citizens of the Federation. After the analysis of the situation, we specified the reasons for the reform, listed the objectives, and described the basis of the basic package design, the establishment of federal solidarity, and the plan of realization. We discussed the background ethical theories of our policy choice, explicitly stated the normative and technical criteria for priority setting, and deliberated Federal financing solidarity policy and allocation methodology, as well as criteria for "risk equalization" among cantons.

A REVIEW OF ENGLISH TEXTBOOK ENTITLED "SKILLFUL: READING AND WRITING, STUDENT'S BOOK 1" BY DAVID BOHLKE AND DOROTHY ZEMACH

OpenAIRE

Thunyalak Polsuk; Nutprapha K. Dennis, Ph.D

2017-01-01

This study aims to evaluate the usefulness of a commercial textbook entitle “Skillful: Reading & Writing, Student’s Book 1”, written by David Bohlke with Dorothy E. Zemach as a series consultant, published by Macmillan publisher. The study also explores the appropriateness for considering to teaching university EFL students. The result of this study assists English teachers in choosing textbooks which will be most appropriate to the learners at various level to develop their reading and writi...

75 FR 52619 - Entitlement and Termination Requirements for Stepchildren

Science.gov (United States)

2010-08-27

... site, Social Security Online, at http://www.socialsecurity.gov . SUPPLEMENTARY INFORMATION: Electronic... SOCIAL SECURITY ADMINISTRATION 20 CFR Part 404 [Docket No. SSA-2006-0154] RIN 0960-AF78 Entitlement and Termination Requirements for Stepchildren AGENCY: Social Security Administration. ACTION...

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report - Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80+trademark Standard Design. This Volume 16 details the application of Human Factors Engineering in the design process

Sequential rhodium/palladium catalysis: enantioselective formation of dihydroquinolinones in the presence of achiral and chiral ligands.

Science.gov (United States)

Zhang, Lei; Qureshi, Zafar; Sonaglia, Lorenzo; Lautens, Mark

2014-12-08

Compatible combinations of achiral and chiral ligands can be used in rhodium/palladium catalysis to achieve highly enantioselective domino reactions. The difference in rates of catalysis and minimal effects of ligand interference confer control in the domino sequence. The "all-in-one" 1,4-conjugate arylation and C-N cross-coupling through sequential Rh/Pd catalysis provides access to enantioenriched dihydroquinolinone building blocks. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design of a facility for the in situ measurement of catalytic reaction by neutron scattering spectroscopy

Science.gov (United States)

Tan, Shuai; Cheng, Yongqiang; Daemen, Luke L.; Lutterman, Daniel A.

2018-01-01

Catalysis is a critical enabling science for future energy needs. The next frontier of catalysis is to evolve from catalyst discovery to catalyst design, and for this next step to be realized, we must develop new techniques to better understand reaction mechanisms. To do this, we must connect catalytic reaction rates and selectivities to the kinetics, energetics, and dynamics of individual elementary steps and relate these to the structure and dynamics of the catalytic sites involved. Neutron scattering spectroscopies offer unique capabilities that are difficult or impossible to match by other techniques. The current study presents the development of a compact and portable instrumental design that enables the in situ investigation of catalytic samples by neutron scattering techniques. The developed apparatus was tested at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory and includes a gas handling panel that allows for computer hookups to control the panel externally and online measurement equipment such as coupled GC-FID/TCD (Gas Chromatography-Flame Ionization Detector/Thermal Conductivity Detector) and MS (Mass Spectrometry) to characterize offgassing while the sample is in the neutron scattering spectrometer. This system is flexible, modular, compact, and portable enabling its use for many types of gas-solid and liquid-solid reactions at the various beamlines housed at the SNS.

Comparison of the role that entropy has played in processes of non-enzymatic and enzymatic catalysis

International Nuclear Information System (INIS)

Dixon Pineda, Manuel Tomas

2012-01-01

The function that entropy has played is compared in processes of non-enzymatic and enzymatic catalysis. The processes followed are showed: the kinetics of the acid hydrolysis of 3-pentyl acetate and cyclopentyl acetate catalyzed by hydrochloric acid and enzymatic hydrolysis of ethyl acetate and γ-butyrolactone catalyzed by pig liver esterase. The activation parameters of Eyring were determined for each process and interpreted the contribution of the entropy of activation for catalysis in this type of model reactions. (author) [es

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80+trademark Standard Design. This Volume 18 provides Appendix B, Probabilistic Risk Assessment

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80 + trademark Standard Design. This volume 9 discusses Electric Power and Auxiliary Systems

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80 + trademark Standard Design. This volume 8 provides a description of instrumentation and controls

31 CFR 354.4 - Creation of Participant's Security Entitlement; security interests.

Science.gov (United States)

2010-07-01

... REGULATIONS GOVERNING BOOK-ENTRY SECURITIES OF THE STUDENT LOAN MARKETING ASSOCIATION (SALLIE MAE) § 354.4... Entitlement is created when a Federal Reserve Bank indicates by book-entry that a Book-entry Sallie Mae... the books of a Federal Reserve Bank is thereby effected and perfected, and has priority over any other...

76 FR 28789 - Draft Alert Entitled “Preventing Occupational Respiratory Disease From Dampness in Office...

Science.gov (United States)

2011-05-18

... NIOSH-238] Draft Alert Entitled ``Preventing Occupational Respiratory Disease From Dampness in Office... Institute for Occupational Safety and Health (NIOSH) of the Centers for Disease Control and Prevention (CDC), announces the availability of a draft Alert entitled ``Preventing Occupational Respiratory Disease from...

Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial Considerations

International Nuclear Information System (INIS)

Vilcocq, L.; Cabiac, A.; Guillon, E.; Especel, C.; Duprez, D.

2013-01-01

Decreasing oil supplies and increasing energy demand provide incentives to find alternative fuels. First, the valorisation of edible crops for ethanol and bio-diesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic biomass as a source of renewable carbon (second generation biofuels). Whereas the cellulosic ethanol production is in progress, a new way consisting of the transformation of ex-lignocellulose sugars and polyols towards light hydrocarbons by heterogeneous catalysis in aqueous phase has been recently described. This process is performed under mild conditions (T < 300 deg. C and P < 50 bar). It requires on one hand hydrogen formation by catalytic reforming of carbohydrates in aqueous phase and on the other hand, the dehydration/hydrogenation of polyols leading to alkanes by selective C-O bond cleavages. The challenge here is to conceive multifunctional catalytic systems that are stable, active and selective under the reaction conditions. The aim of this article is to present the involved reactions, the catalytic systems described in literature for that kind of transformation and examples of industrial applications. (authors)

What Are Occupational Pension Plan Entitlements Worth in Britain?

OpenAIRE

Disney, Richard; Whitehouse, Edward

1996-01-01

The acquisition of rights by workers in private pension plans underpins retirement behavior, recruitment policy, and wage structure but there is controversy as to how these individual pension rights should be valued. The paper combines four data-sets to calculate pension entitlements for a sample of 3,000 British workers in 1987. Expected scheme tenure is a key variable in valuation; younger workers and women face greater initial uncertainty as to their pension outcomes, which is resolved as ...

Surface science and heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1980-05-01

The catalytic reactions studied include hydrocarbon conversion over platinum, the transition metal-catalyzed hydrogenation of carbon monoxide, and the photocatalyzed dissociation of water over oxide surfaces. The method of combined surface science and catalytic studies is similar to those used in synthetic organic chemistry. The single-crystal models for the working catalyst are compared with real catalysts by comparing the rates of cyclopropane ring opening on platinum and the hydrogenation of carbon monoxide on rhodium single crystal surface with those on practical commercial catalyst systems. Excellent agreement was obtained for these reactions. This document reviews what was learned about heterogeneous catalysis from these surface science approaches over the past 15 years and present models of the active catalyst surface

Generative design visualize, program, and create with processing

CERN Document Server

Bohnacker, Hartmut; Laub, Julia; Lazzeroni, Claudius

2012-01-01

Generative design is a revolutionary new method of creating artwork, models, and animations from sets of rules, or algorithms. By using accessible programming languages such as Processing, artists and designers are producing extravagant, crystalline structures that can form the basis of anything from patterned textiles and typography to lighting, scientific diagrams, sculptures, films, and even fantastical buildings. Opening with a gallery of thirty-five illustrated case studies, Generative Design takes users through specific, practical instructions on how to create their own visual experiments by combining simple-to-use programming codes with basic design principles. A detailed handbook of advanced strategies provides visual artists with all the tools to achieve proficiency. Both a how-to manual and a showcase for recent work in this exciting new field, Generative Design is the definitive study and reference book that designers have been waiting for.

A COMPUTER APPLICATION FOR THE ARCHITECTURAL PROGRAM DEVELOPMENT IN DESIGN EDUCATION

Directory of Open Access Journals (Sweden)

Daniel de Carvalho Moreira

2012-02-01

Full Text Available The development of the architectural program in the design studio faces several difficulties. The purpose of the program is to describe the conditions where the building being designed will operate; this requires a lot of information and organization. Due to its complexity, the architetural program definition in the disciplines of design is often simplified. This article discusses such issue and proposes a computer application (SINFORMA that gathers information about the building and the theme of the project in order to develop the architectural program based on structures proposed by bibliographic references. The SINFORMA is composed by a framework which includes a data base and modules which analyze and organize functional requirements, according to the Problem Seeking method and the contemporary values of architecture enumerated by Hershberger. It is discussed how the application can be applied in design education and how it offers students a practical approach and a comprehensive data analysis for the design of built environment. Keywords: Architectural programming, Architectural design, Education.

Design and fabrication of an automated temperature programmed ...

Indian Academy of Sciences (India)

Unknown

Testing of 3-way catalysis with CO, NO and C2H2 to convert to CO2, N2 and H2O is done with this catalyst which .... proper settings on the emission control, mass range, scan rate etc. to ..... Robertson S D, McNicol B D, De Bass J H, Kloet S.

User-Centered Design of GPU-Based Shader Programs

DEFF Research Database (Denmark)

Kraus, Martin

2012-01-01

In the context of game engines with graphical user interfaces, shader programs for GPUs (graphics processing units) are an asset for game development that is often used by artists and game developers without knowledge of shader programming. Thus, it is important that non-programmers are enabled...... to explore and exploit the full potential of shader programs. To this end, we develop principles and guidelines for the design of usercentered graphical interfaces for shaders. With the help of several examples, we show how the requirements of a user-centered interface design influence the choice of widgets...

Review Article: Revisiting the Entitlement Approach to Famine ...

African Journals Online (AJOL)

Sen's (1981b) entitlement approach conceptualises famine as the characteristics of some people not having enough food to eat but not of there being not enough food to eat. Famine from this perspective is one that occurs without a decline in the macro level supply of food and, hence, it is all about demand failure/shift in the ...

The application of parameters for comprehensive smile esthetics by digital smile design programs: A review of literature

Directory of Open Access Journals (Sweden)

Doya Omar

2018-01-01

Full Text Available Cosmetic dentistry is increasingly becoming an issue of concern to patients who hope to improve their smile. A systematic and comprehensive dentofacial analysis must be performed before commencing esthetic treatment. Several computer software programs have been developed for digital smile design (DSD to assist clinicians in this process. This article compares DSD programs commonly used in cosmetic dentistry and their ability to assess esthetic parameters. A literature review was performed of current dentofacial aesthetic parameters and clinical applications of computer technology to assess facial, dentogingival and dental esthetics. Eight DSD programs (Photoshop CS6, Keynote, Planmeca Romexis Smile Design, Cerec SW 4.2, Aesthetic Digital Smile Design, Smile Designer Pro, DSD App and VisagiSMile were compared. Photoshop, Keynote and Aesthetic Digital Smile Design included the largest number of esthetic analysis parameters. Other studied DSD programs presented deficiencies in their ability to analyze facial esthetic parameters but included comprehensive dentogingival and dental esthetic functions. The DSD App, Planmeca Romexis Smile Design, and Cerec SW 4.2 were able to perform 3D analysis; furthermore, Cerec SW 4.2 and PRSD could be used jointly with CAD/CAM. The DSD App and Smile Designer Pro are available as mobile phone applications. It can be concluded that despite the fact that they were not specifically designed for dental diagnosis, Photoshop CS6 and Keynote provide a more comprehensive smile analysis than most specialized DSD programs. However, other program functions should also be considered when deciding which DSD program is applicable to individual clinical setups.

Evaluation of commercial and sulfated ZrO_2 aiming application catalysis

International Nuclear Information System (INIS)

Silva, F.N.; Dantas, J.; Costa, A.C.F.M.; Pallone, E.M.J.A.; Dutra, R.C.L.

2014-01-01

This study evaluates the performance of commercial and sulfated ZrO_2 for future application in catalysis. Commercial ZrO_2 was provided by the company Saint-Gobain Zirpro. The sulfation occurred with SO_4"-"2 ion content of 30% compared to the mass of ZrO_2. The samples were characterized by XRD, FTIR, EDX and GD. The results revealed the formation of a monoclinic phase for the commercial sample, and a monoclinic major phase with tetragonal traces for the sulfated sample. The commercial ZrO_2 showed a narrow, bimodal and asymmetric agglomerates distribution, while the sulfated sample showed a narrow, tetramodal and asymmetric agglomerates distribution. The presence of traces of the tetragonal phase in the SO_4"-"2/ZrO_2 XRD, and the presence of SO_3 in the EDX were good indicators for future use in catalysis to provide ester. (author)

An assessment of design control practices and design reconstitution programs in the nuclear power industry

International Nuclear Information System (INIS)

Imbro, E.V.

1991-02-01

The US Nuclear Regulatory Commission (NRC) and the utilities have identified shortcomings involving the maintenance of well-defined design bases and the availability of the necessary supporting design documentation. Many utilities have embarked on design-document reconstitution programs although there has been no clear consensus regarding what information should be included in design-bases documents, what is the minimum set of necessary design documents to support the design bases, or how missing or deficient design documentation should be handled. The NRC initiated a survey to ascertain the status of design control programs within the industry and the approaches to design-bases documentation used by some utilities. The survey scope included six utilities and one nuclear steam supply system vendor. Conclusions and observations resulting from the survey assessments are provided so that utilities and the NRC can consider actions to improve these programs. 12 refs

Market Aspects of an Interior Design Program.

Science.gov (United States)

Gold, Judy E.

A project was conducted to evaluate a proposed interior design program in order to determine the marketability (job availability in the field of interior design and home furnishings merchandising) and the feasibility (educational requirements for entrance into the interior design and home furnishings merchandising job market) of the program. To…

Nitrogen doped carbon nanotubes : synthesis, characterization and catalysis

NARCIS (Netherlands)

van Dommele, S.

2008-01-01

Nitrogen containing Carbon Nanotubes (NCNT) have altered physical- and chemical properties with respect to polarity, conductivity and reactivity as compared to conventional carbon nanotubes (CNT) and have potential for use in electronic applications or catalysis. In this thesis the incorporation of

Molecular complexity from polyunsaturated substrates: the gold catalysis approach.

Science.gov (United States)

Fensterbank, Louis; Malacria, Max

2014-03-18

Over the last two decades, electrophilic catalysis relying on platinum(II), gold(I), and gold(III) salts has emerged as a remarkable synthetic methodology. Chemists have discovered a large variety of organic transformations that convert a great assortment of highly functionalized precursors into valuable final products. In many cases, these methodologies offer unique features, allowing access to unprecedented molecular architectures. Due to the mild reaction conditions and high function compatibility, scientists have successfully developed applications in total synthesis of natural products, as well as in asymmetric catalysis. In addition, all these developments have been accompanied by the invention of well-tailored catalysts, so that a palette of different electrophilic agents is now commercially available or readily synthesized at the bench. In some respects, researchers' interests in developing homogeneous gold catalysis can be compared with the Californian gold rush of the 19th century. It has attracted into its fervor thousands of scientists, providing a huge number of versatile and important reports. More notably, it is clear that the contribution to the art of organic synthesis is very valuable, though the quest is not over yet. Because they rely on the intervention of previously unknown types of intermediates, new retrosynthetic disconnections are now possible. In this Account, we discuss our efforts on the use of readily available polyunsaturated precursors, such as enynes, dienynes, allenynes, and allenenes to give access to highly original polycyclic structures in a single operation. These transformations transit via previously undescribed intermediates A, B, D, F, and H that will be encountered later on. All these intermediates have been determined by both ourselves and others by DFT calculations and in some cases have been confirmed on the basis of experimental data. In addition, dual gold activation can be at work in some of these transformations

Program packages for dynamics systems analysis and design

International Nuclear Information System (INIS)

Athani, V.V.

1976-01-01

The development of computer program packages for dynamic system analysis and design are reported. The purpose of developing these program packages is to take the burden of writing computer programs off the mind of the system engineer and to enable him to concentrate on his main system analysis and design work. Towards this end, four standard computer program packages have been prepared : (1) TFANA - starting from system transfer function this program computes transient response, frequency response, root locus and stability by Routh Hurwitz criterion, (2) TFSYN - classical synthesis using algebraic method of Shipley, (3) MODANA - starting from state equations of the system this program computes solution of state equations, controllability, observability and stability, (4) OPTCON - This program obtains solutions of (i) linear regulator problem, (ii) servomechanism problems and (iii) problem of pole placement. The paper describes these program packages with the help of flowcharts and illustrates their use with the help of examples. (author)

Molecular catalysis and high-volume organic synthesis

Energy Technology Data Exchange (ETDEWEB)

Khidekel, M L; Vasserberg, V E

1977-01-01

The field of catalysis is very wide. The properties of catalysts are briefly reviewed and compared with the properties of enzymes. Various uses of enxymes in industry (sugar from corn, cellulose breakdown, etc.) are pointed out. The types of homogeneous and heterogeneous catalysts for use in organic synthesis are discussed. 48 refs. (SJR)

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80 + trademark Standard Design. This volume 10 discusses the Steam and Power Conversion System and Radioactive Waste Management

Computational Materials Program for Alloy Design

Science.gov (United States)

Bozzolo, Guillermo

2005-01-01

The research program sponsored by this grant, "Computational Materials Program for Alloy Design", covers a period of time of enormous change in the emerging field of computational materials science. The computational materials program started with the development of the BFS method for alloys, a quantum approximate method for atomistic analysis of alloys specifically tailored to effectively deal with the current challenges in the area of atomistic modeling and to support modern experimental programs. During the grant period, the program benefited from steady growth which, as detailed below, far exceeds its original set of goals and objectives. Not surprisingly, by the end of this grant, the methodology and the computational materials program became an established force in the materials communitiy, with substantial impact in several areas. Major achievements during the duration of the grant include the completion of a Level 1 Milestone for the HITEMP program at NASA Glenn, consisting of the planning, development and organization of an international conference held at the Ohio Aerospace Institute in August of 2002, finalizing a period of rapid insertion of the methodology in the research community worlwide. The conference, attended by citizens of 17 countries representing various fields of the research community, resulted in a special issue of the leading journal in the area of applied surface science. Another element of the Level 1 Milestone was the presentation of the first version of the Alloy Design Workbench software package, currently known as "adwTools". This software package constitutes the first PC-based piece of software for atomistic simulations for both solid alloys and surfaces in the market.Dissemination of results and insertion in the materials community worldwide was a primary focus during this period. As a result, the P.I. was responsible for presenting 37 contributed talks, 19 invited talks, and publishing 71 articles in peer-reviewed journals, as

Catalysis Research of Relevance to Carbon Management: Progress, Challenges, and Opportunities

Energy Technology Data Exchange (ETDEWEB)

Arakawa, Hironori; Aresta, Michele; Armor, John; Barteau, Mark; Beckman, Eric J.; Bell, Alexis T.; Bercaw, John E.; Creutz, Carol; Dinjus, Eckhard; Dixon, David A.; Domen, Kazunari; Dubois, Daniel L.; Eckert, Juergen; Fujita, Etsuko; Gibson, Dorothy H.; Goddard, William A.; Goodman, Wayne D.; Keller, Jay; Kubas, Gregory J.; Kung, Harold H.; Lyons, James E.; Manzer, Leo; Marks, Tobin J.; Morokuma, Keiji; Nicholas, Kenneth M.; Periana, Roy; Que, Lawrence; Rostrup-Nielson, Jens; Sachtler, Woflgang M H.; Schmidt, Lanny D.; Sen, Ayusman; Somorjai, Gabor A.; Stair, Peter C.; Stults, Bailey R.; Tumas, William

2001-04-11

The goal of the 'Opportunities for Catalysis Research in Carbon Management' workshop was to review within the context of greenhouse gas/carbon issues the current state of knowledge, barriers to further scientific and technological progress, and basic scientific research needs in the areas of H{sub 2} generation and utilization, light hydrocarbon activation and utilization, carbon dioxide activation, utilization, and sequestration, emerging techniques and research directions in relevant catalysis research, and in catalysis for more efficient transportation engines. Several overarching themes emerge from this review. First and foremost, there is a pressing need to better understand in detail the catalytic mechanisms involved in almost every process area mentioned above. This includes the structures, energetics, lifetimes, and reactivities of the species thought to be important in the key catalytic cycles. As much of this type of information as is possible to acquire would also greatly aid in better understanding perplexing, incomplete/inefficient catalytic cycles and in inventing new, efficient ones. The most productive way to attack such problems must include long-term, in-depth fundamental studies of both commercial and model processes, by conventional research techniques and, importantly, by applying various promising new physicochemical and computational approaches which would allow incisive, in situ elucidation of reaction pathways. There is also a consensus that more exploratory experiments, especially high-risk, unconventional catalytic and model studies, should be undertaken. Such an effort will likely require specialized equipment, instrumentation, and computational facilities. The most expeditious and cost-effective means to carry out this research would be by close coupling of academic, industrial, and national laboratory catalysis efforts worldwide. Completely new research approaches should be vigorously explored, ranging from novel compositions

Bridging heterogeneous and homogeneous catalysis concepts, strategies, and applications

CERN Document Server

Li, Can

2014-01-01

This unique handbook fills the gap in the market for an up-to-date work that links both homogeneous catalysis applied to organic reactions and catalytic reactions on surfaces of heterogeneous catalysts.

Mechanistic studies on the phosphoramidite coupling reaction in oligonucleotide synthesis. I. Evidence for nudeophilic catalysis by tetrazole and rate variations with the phosphorus substituents

DEFF Research Database (Denmark)

Dahl, Bjarne H.; Nielsen, John; Dahl, Otto

1987-01-01

, and that dialkylammonium tetrazolide salts are inhibitors. These and other facts are evidence that the reactions are subjected to nucleophilic catalysis by tetrazole, in addition to acid catalysis. The rate variations with phosphorus substituents of 1a-h are NEt 2 > NRr12 > N(CH 2CH 2)O > NMePh, and OMe > OCH 2CH 2CN......Tetrazole catalyzed reactions of a series of phosphoramidites, 5′ -O- DMTdT-3′-O-P(OR 1)NRNR22 (1a-h), with 3′ O-SiBu tPh 2-6-N-benzoyl-dA (2a) in acetonitrite solution have been studied. It is found that the coupling rate depends very much on whether tetrazole is added before or after 2a...

Can a sense of entitlement increase stealing?

DEFF Research Database (Denmark)

Gravert, Christina Annette

Are people more likely to steal when the payoff they deserve is determined randomly or when it depends on their performance in a difficult task? In this paper I investigate how the probability of stealing is affected by the way in which payoff is earned. After answering a short survey one group...... to take the (undeserved) maximum payoff than the participants in the random payment scheme. In contrast to previous findings in the cheating literature, stealing is an all-or-nothing decision rather than a trade-off between a slightly higher payoff and the desire to keep ones moral values intact....... The results support the theory that unethical behavior is increased by a sense of entitlement, which is more pronounced when wealth depends on performance than on the roll of a die....

Rapid one-pot propargylamine synthesis by plasmon mediated catalysis with gold nanoparticles on ZnO under ambient conditions.

Science.gov (United States)

González-Béjar, María; Peters, Kate; Hallett-Tapley, Geniece L; Grenier, Michel; Scaiano, Juan C

2013-02-28

Surface plasmon excitation of gold nanoparticles on ZnO in the presence of an aldehyde, an amine and phenylacetylene led to rapid and selective formation of propargylamines with good yields (50-95%) at room temperature. Plasmon mediated catalysis is the best available route for this ternary coupling.

System 80+trademark Standard Design: CESSAR design certification

International Nuclear Information System (INIS)

1990-01-01

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describes the Combustion Engineering, Inc. System 80+trademark Standard Design. This Volume 17 provides Appendix A of this report, closure of unresolved and Genetic Safety Issues

Fusion reactor design and technology program in China

International Nuclear Information System (INIS)

Huang, J.H.

1994-01-01

A fusion-fission hybrid reactor program was launched in 1987. The purpose of development of the hybrid reactor is twofold: to solve the problem of nuclear fuel supply for an expected large-scale development of fission reactor plants, and to maintain the momentum of fusion research. The program is described and the activities and progress of the program are presented. Two conceptual designs of an engineering test reactor with tokamak configuration were developed at the Southwestern Institute of Physics and the Institute of Plasma Physics. The results are a tokamak engineering test breeder (TETB) series design and a fusion-fission hybrid reactor design (SSEHR), characterized by a liquid-Li self-cooled blanket and an He-cooled solid tritium breeder blanket respectively. In parallel with the design studies, relevant technological experiments on a small or medium scale have been supported by this program. These include LHCD, ICRH and pellet injection in the area of plasma engineering; neutronics integral experiments with U, Pu, Fe and Be; various irradiation tests of austenitic and ferritic steels, magnetohydrodynamic (MHD) pressure drop experiments using a liquid metal loop; research into permeation barriers for tritium and hydrogen isotopes; solid tritium breeder tests using an in-situ loop in a fission reactor. All these experiments have proceeded successfully. The second step of this program is now starting. It seems reasonable that most of the research carried out in the first step will continue. ((orig.))

REALCAT: A New Platform to Bring Catalysis to the Lightspeed

Directory of Open Access Journals (Sweden)

Paul Sébastien

2015-03-01

Full Text Available Catalysis, irrespective of its form can be considered as one of the most important pillars of today’s chemical industry. The development of new catalysts with improved performances is therefore a highly strategic issue. However, the a priori theoretical design of the best catalyst for a desired reaction is not yet possible and a time- and money-consuming experimental phase is still needed to develop a new catalyst for a given reaction. The REALCAT platform described in this paper consists in a complete, unique, integrated and top-level high-throughput technologies workflow that allows a significant acceleration of this kind of research. This is illustrated by some preliminary results of optimization of the operating conditions of glycerol dehydration to acrolein over an heteropolyacid-based supported catalyst. It is shown that using REALCAT high-throughput tools a more than 10-fold acceleration of the operating conditions optimization process is obtained.

Plasma Chemistry and Catalysis in Gases and Liquids

CERN Document Server

Parvulescu, Vasile I; Lukes, Petr

2012-01-01

Filling the gap for a book that not only covers gases but also plasma methods in liquids, this is all set to become the standard reference on the topic. It considers the central aspects in plasma chemistry and plasma catalysis by focusing on the green and environmental applications, while also taking into account their practical and economic viability. With the topics addressed by an international group of major experts, this is a must-have for researchers, PhD students and postdocs specializing in the field.

Treatment of decontamination liquid waste of nuclear power plant components by heterogeneous photo catalysis with a continuous recirculation equipment

International Nuclear Information System (INIS)

Litter, Marta I.; La Gamma, Ana M.; Chocron, Mauricio; Blesa, Miguel A.; Repetto, Pablo

1999-01-01

It has been designed a bench scale, recirculation device, for testing the degradation of solutions of ethylendiamine tetraacetic acid (EDTA) by heterogeneous photo catalysis under irradiation with UV and titanium dioxide (TiO 2 ). Solutions of EDTA have been employed at concentrations and pH values similar to those used when a decontamination of nuclear power plant equipment is carried out. The circuit is composed of a photo reactor, a heat exchanger, a reservoir tank and a peristaltic pump. In the present paper, the results of the experiments of photo catalytic degradation of aqueous suspensions of TiO 2 (Degussa P-25) 1 g/L with EDTA (10 g/L) at pH 3.7 and 25 degree C and two irradiation wavelengths (366 and 254 nm) have been presented. At 366 nm the full degradation of EDTA has occurred in 10 hours. The 95% degradation of total organic carbon (TOC) has been achieved after 39 hours of irradiation. The irradiation at 254 nm in the same conditions has been much less effective (EDTA and TOC reduction of approximately 1%), due to a screening effect produced by the semiconductor. (author)

A kinetic study on the catalysis of KCl, K2SO4, and K2CO3 during oxy-biomass combustion.

Science.gov (United States)

Deng, Shuanghui; Wang, Xuebin; Zhang, Jiaye; Liu, Zihan; Mikulčić, Hrvoje; Vujanović, Milan; Tan, Houzhang; Duić, Neven

2018-07-15

Biomass combustion under the oxy-fuel conditions (Oxy-biomass combustion) is one of the approaches achieving negative CO 2 emissions. KCl, K 2 CO 3 and K 2 SO 4 , as the major potassium species in biomass ash, can catalytically affect biomass combustion. In this paper, the catalysis of the representative potassium salts on oxy-biomass combustion was studied using a thermogravimetric analyzer (TGA). Effects of potassium salt types (KCl, K 2 CO 3 and K 2 SO 4 ), loading concentrations (0, 1, 3, 5, 8 wt%), replacing N 2 by CO 2 , and O 2 concentrations (5, 20, 30 vol%) on the catalysis degree were discussed. The comparison between TG-DTG curves of biomass combustion before and after water washing in both the 20%O 2 /80%N 2 and 20%O 2 /80%CO 2 atmospheres indicates that the water-soluble minerals in biomass play a role in promoting the devolatilization and accelerating the char-oxidation; and the replacement of N 2 by CO 2 inhibits the devolatilization and char-oxidation processes during oxy-biomass combustion. In the devolatilization stage, the catalysis degree of potassium monotonously increases with the increase of potassium salt loaded concentration. The catalysis degree order of the studied potassium salts is K 2 CO 3  > KCl > K 2 SO 4 . In the char-oxidation stage, with the increase of loading concentration the three kinds of potassium salts present inconsistent change tendencies of the catalysis degree. In the studied loading concentrations from 0 to 8 wt%, there is an optimal loading concentration for KCl and K 2 CO 3 , at 3 and 5 wt%, respectively; while for K 2 SO 4 , the catalysis degree on char-oxidation monotonically increases with the loading potassium concentration. For most studied conditions, regardless of the potassium salt types or the loading concentrations or the combustion stages, the catalysis degree in the O 2 /CO 2 atmosphere is stronger than that in the O 2 /N 2 atmosphere. The catalysis degree is also affected by the O 2

Design criteria for piping and nozzles program

International Nuclear Information System (INIS)

Moore, S.E.; Bryson, J.W.

1977-01-01

This report reviews the activities and accomplishments of the Design Criteria for Piping and Nozzles program being conducted by the Oak Ridge National Laboratory for the period July 1, 1975, to September 30, 1976. The objectives of the program are to conduct integrated experimental and analytical stress analysis studies of piping system components and isolated and closely-spaced pressure vessel nozzles in order to confirm and/or improve the adequacy of structural design criteria and analytical methods used to assure the safe design of nuclear power plants. Activities this year included the development of a finite-element program for analyzing two closely spaced nozzles in a cylindrical pressure vessel; a limited-parameter study of vessels with isolated nozzles, finite-element studies of piping elbows, a fatigue test of an out-of-round elbow, summary and evaluation of experimental studies on the elastic-response and fatigue failure of tees, parameter studies on the behavior of flanged joints, publication of fifteen topical reports and papers on various experimental and analytical studies; and the development and acceptance of a number of design rules changes to the ASME Code. 2 figures, 2 tables

Catalysis-enhanced strengthening of porous materials

International Nuclear Information System (INIS)

Sokolova, L.N.; Shchukin, E.D.; Burenkova, L.N.; Romanovskij, B.V.

2000-01-01

Change in the strength of compressed tablets of the catalyst on the basis of ZrO 2 (84 mass %) and Y 2 O 3 (16 mass %) after conducting the endothermal reaction of the methanol and ethanol dehydration at 700-800 deg C is studied. It is shown, that the key factor, determining the strengthening effect by 65-88% is not at all the reaction exothermal nature, which could lead to local heating of the catalyst surface. In reality significant increase in concentration of surface defects, as compared to the equilibrium at the given temperature is achieved on the account of conjugation of processes of catalysis and surface defects formation [ru

Employee entitlements during pregnancy and maternal psychological well-being.

Science.gov (United States)

Cooklin, Amanda R; Rowe, Heather J; Fisher, Jane R W

2007-12-01

Antenatal psychological well-being is multifactorially determined, including by social circumstances. Evidence suggests that workplace conditions are salient determinants of mental health, but it is not known whether employment conditions influence antenatal psychological well-being. To investigate the relationship between employment conditions and antenatal psychological well-being in Australian women. A sociodemographically diverse consecutive cohort of employed nulliparous women was recruited in late pregnancy. Data were collected by a structured interview assessing sociodemographic characteristics, employment arrangements, experience of pregnancy-related discrimination, and access to maternity leave entitlements. Participants completed two standardised psychometric measures of maternal mood: the Edinburgh Depression Scale (EDS) and the Profile of Mood States (PoMS). Comparisons of self-reported mood were made between women by experience of workplace adversity, using a composite measure of workplace events. Of 205 eligible women, 165 agreed to participate. Of these, 114 of 165 (69%) reported at least one form of workplace adversity during pregnancy. More women without private health insurance (78%) reported workplace adversity than those who were privately insured (57%) (chi2(1)=6.95, P=0.008). Women experiencing workplace adversity had significantly worse psychological well-being as indicated by the EDS score (7.7+/-5.1) than those who were experiencing no workplace adversity (5.5+/-3.4), mean difference (95% CI)=-2.2 (-3.7 to -0.8), P=0.003. Similar results were reported for the PoMS. Workplace adversity during pregnancy is associated with poorer maternal psychological well-being. Workplace conditions and entitlements are salient factors for consideration in assessments of antenatal psychosocial well-being.

Efficient and convenient oxidation of benzyl halides to carbonyl compounds with sodium nitrate and acetic acid by phase transfer catalysis in aqueous media

Directory of Open Access Journals (Sweden)

Yu Lin Hu

2010-08-01

Full Text Available A variety of benzyl halides were converted to the corresponding aldehydes/ketones in good to high yields by phase transfer catalysis combined with sodium nitrate and acetic acid at reflux. As a result, a simple and high yield procedure has been developed.

Volunteer Educators' Influence on Youth Participation and Learning in 4-H STEM Learning by Design Programs

Science.gov (United States)

Worker, Steven Michael

The purpose of this study was to describe the co-construction of three 4-H STEM (science, technology, engineering, and mathematics) learning by design programs by volunteer educators and youth participants in the 4-H Youth Development Program. The programs advanced STEM learning through design, a pedagogical approach to support youth in planning, designing, and making shareable artifacts. This pedagogical approach is a special case of project-based learning, related to the practices found in the science learning through design literature as well as the making and tinkering movements. Specifically, I explored adult volunteer educators' roles and pedagogical strategies implementing the 4-H Junk Drawer Robotics curriculum (Mahacek, Worker, and Mahacek, 2011) and how that, in turn, afforded and constrained opportunities for youth to display or report engagement in design practices; learning of STEM content; strengthening tool competencies; dispositions of resilience, reciprocity, and playfulness; and psychological ownership. The curriculum targeted middle school youth with a sequence of science inquiry activities and engineering design challenges. This study employed naturalist and multiple-case study methodology relying on participant observations and video, interviews with educators, and focus groups with youth within three 4-H educational robotics programs organized by adult 4-H volunteer educators. Data collection took place in 2014 and 2015 at Santa Clara with an educator and seven youth; Solano with three educators and eight youth; and Alameda with an educator and seven youth. Data analysis revealed six discrete categories of pedagogy and interactions that I labeled as participation structures that included lecture, demonstration, learning activity, group sharing, scripted build, and design & build. These participation structures were related to the observed pedagogical practices employed by the educators. There was evidence of youth engagement in design

Ultimate limit state design of sheet pile walls by finite elements and nonlinear programming

DEFF Research Database (Denmark)

Krabbenhøft, Kristian; Damkilde, Lars; Krabbenhøft, Sven

2005-01-01

The design of sheet pile walls by lower bound limit analysis is considered. The design problem involves the determination of the necessary yield moment of the wall, the wall depth and the anchor force such that the structure is able to sustain the given loads. This problem is formulated...... as a nonlinear programming problem where the yield moment of the wall is minimized subject to equilibrium and yield conditions. The finite element discretization used enables exact fulfillment of these conditions and thus, according to the lower bound theorem, the solutions are safe....

Molecular catalysts structure and functional design

CERN Document Server

Gade, Lutz H

2014-01-01

Highlighting the key aspects and latest advances in the rapidly developing field of molecular catalysis, this book covers new strategies to investigate reaction mechanisms, the enhancement of the catalysts' selectivity and efficiency, as well as the rational design of well-defined molecular catalysts. The interdisciplinary author team with an excellent reputation within the community discusses experimental and theoretical studies, along with examples of improved catalysts, and their application in organic synthesis, biocatalysis, and supported organometallic catalysis. As a result, readers wil

78 FR 60169 - Federal Acquisition Regulation; Pilot Program for Enhancement of Contractor Employee...

Science.gov (United States)

2013-09-30

... 9000-AM56 Federal Acquisition Regulation; Pilot Program for Enhancement of Contractor Employee... program enhancing whistleblower protections for contractor employees. DATES: Effective: September 30, 2013... contractor employees at FAR subpart 3.9. The pilot program is mandated by section 828, entitled ``Pilot...

Measuring policy entitlements at the micro-level: maternity and parental leave in Europe

NARCIS (Netherlands)

Bártová, A.; Emery, T.

2018-01-01

Comparative social policy analysis has been shaped by the measurement of policy as a macro phenomenon. However, social policy theories have consistently asserted that policy entitlements vary across class, gender, ethnicity and the life-course. This paper synthesises a number of innovations to

Structured Design Language for Computer Programs

Science.gov (United States)

Pace, Walter H., Jr.

1986-01-01

Box language used at all stages of program development. Developed to provide improved productivity in designing, coding, and maintaining computer programs. BOX system written in FORTRAN 77 for batch execution.

Pincer-porphyrin hybrids : Synthesis, self-assembly, and catalysis

NARCIS (Netherlands)

Suijkerbuijk, B.M.J.M.

2007-01-01

Metal complexes play an important role in established research areas such as catalysis and materials chemistry as well as in emerging fields of chemical exploration such as bioinorganic chemistry. Changes in the metal center's ligand environment, i.e., the nature and number of the Lewis basic atoms

Acid-base catalysis of N-[(morpholine)methylene]daunorubicin.

Science.gov (United States)

Krause, Anna; Jelińska, Anna; Cielecka-Piontek, Judyta; Klawitter, Maria; Zalewski, Przemysław; Oszczapowicz, Irena; Wąsowska, Małgorzata

2012-08-01

The stability of N-[(morpholine)methylene]-daunorubicin hydrochloride (MMD) was investigated in the pH range 0.44-13.54, at 313, 308, 303 and 298 K. The degradation of MMD as a result of hydrolysis is a pseudo-first-order reaction described by the following equation: ln c = ln c(0) - k(obs)• t. In the solutions of hydrochloric acid, sodium hydroxide, borate, acetate and phosphate buffers, k(obs) = k(pH) because general acid-base catalysis was not observed. Specific acid-base catalysis of MMD comprises the following reactions: hydrolysis of the protonated molecules of MMD catalyzed by hydrogen ions (k(1)) and spontaneous hydrolysis of MMD molecules other than the protonated ones (k(2)) under the influence of water. The total rate of the reaction is equal to the sum of partial reactions: k(pH) = k(1) • a(H)+ • f(1) + k(2) • f(2) where: k(1) is the second-order rate constant (mol(-1) l s(-1)) of the specific hydrogen ion-catalyzed degradation of the protonated molecules of MMD; k(2) is the pseudo-first-order rate constant (s(-1)) of the water-catalyzed degradation of MMD molecules other than the protonated ones, f(1) - f(2) are fractions of the compound. MMD is the most stable at approx. pH 2.5.

Automated a complex computer aided design concept generated using macros programming

Science.gov (United States)

Rizal Ramly, Mohammad; Asrokin, Azharrudin; Abd Rahman, Safura; Zulkifly, Nurul Ain Md

2013-12-01

Changing a complex Computer Aided design profile such as car and aircraft surfaces has always been difficult and challenging. The capability of CAD software such as AutoCAD and CATIA show that a simple configuration of a CAD design can be easily modified without hassle, but it is not the case with complex design configuration. Design changes help users to test and explore various configurations of the design concept before the production of a model. The purpose of this study is to look into macros programming as parametric method of the commercial aircraft design. Macros programming is a method where the configurations of the design are done by recording a script of commands, editing the data value and adding a certain new command line to create an element of parametric design. The steps and the procedure to create a macro programming are discussed, besides looking into some difficulties during the process of creation and advantage of its usage. Generally, the advantages of macros programming as a method of parametric design are; allowing flexibility for design exploration, increasing the usability of the design solution, allowing proper contained by the model while restricting others and real time feedback changes.

Automated a complex computer aided design concept generated using macros programming

International Nuclear Information System (INIS)

Ramly, Mohammad Rizal; Asrokin, Azharrudin; Rahman, Safura Abd; Zulkifly, Nurul Ain Md

2013-01-01

Changing a complex Computer Aided design profile such as car and aircraft surfaces has always been difficult and challenging. The capability of CAD software such as AutoCAD and CATIA show that a simple configuration of a CAD design can be easily modified without hassle, but it is not the case with complex design configuration. Design changes help users to test and explore various configurations of the design concept before the production of a model. The purpose of this study is to look into macros programming as parametric method of the commercial aircraft design. Macros programming is a method where the configurations of the design are done by recording a script of commands, editing the data value and adding a certain new command line to create an element of parametric design. The steps and the procedure to create a macro programming are discussed, besides looking into some difficulties during the process of creation and advantage of its usage. Generally, the advantages of macros programming as a method of parametric design are; allowing flexibility for design exploration, increasing the usability of the design solution, allowing proper contained by the model while restricting others and real time feedback changes

Electronic automation of LRFD design programs.

Science.gov (United States)

2010-03-01

The study provided electronic programs to WisDOT for designing pre-stressed girders and piers using the Load : Resistance Factor Design (LRFD) methodology. The software provided is intended to ease the transition to : LRFD for WisDOT design engineers...

Confined catalysis under two-dimensional materials

OpenAIRE

Li, Haobo; Xiao, Jianping; Fu, Qiang; Bao, Xinhe

2017-01-01

Small spaces in nanoreactors may have big implications in chemistry, because the chemical nature of molecules and reactions within the nanospaces can be changed significantly due to the nanoconfinement effect. Two-dimensional (2D) nanoreactor formed under 2D materials can provide a well-defined model system to explore the confined catalysis. We demonstrate a general tendency for weakened surface adsorption under the confinement of graphene overlayer, illustrating the feasible modulation of su...

USD Catalysis Group for Alternative Energy

Energy Technology Data Exchange (ETDEWEB)

Hoefelmeyer, James D.; Koodali, Ranjit; Sereda, Grigoriy; Engebretson, Dan; Fong, Hao; Puszynski, Jan; Shende, Rajesh; Ahrenkiel, Phil

2012-03-13

The South Dakota Catalysis Group (SDCG) is a collaborative project with mission to develop advanced catalysts for energy conversion with two primary goals: (1) develop photocatalytic systems in which polyfunctionalized TiO2 are the basis for hydrogen/oxygen synthesis from water and sunlight (solar fuels group), (2) develop new materials for hydrogen utilization in fuel cells (fuel cell group). In tandem, these technologies complete a closed chemical cycle with zero emissions.

On the mechanism of hydrogen evolution catalysis by proteins: A case study with bovine serum albumin

Czech Academy of Sciences Publication Activity Database

Doneux, T.; Ostatná, Veronika; Paleček, Emil

2011-01-01

Roč. 56, č. 25 (2011), s. 9337-9343 ISSN 0013-4686 R&D Projects: GA MŠk(CZ) ME09038; GA MŠk(CZ) LC06035 Grant - others:GA ČR(CZ) GAP301/11/2055 Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702 Keywords : hydrogen evolution reaction * mediated catalysis * proton transfer Subject RIV: BO - Biophysics Impact factor: 3.832, year: 2011

Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.

Science.gov (United States)

Huang, Xiaoqiang; Webster, Richard D; Harms, Klaus; Meggers, Eric

2016-09-28

Electron-acceptor-substituted aryl azides and α-diazo carboxylic esters are used as substrates for visible-light-activated asymmetric α-amination and α-alkylation, respectively, of 2-acyl imidazoles catalyzed by a chiral-at-metal rhodium-based Lewis acid in combination with a photoredox sensitizer. This novel proton- and redox-neutral method provides yields of up to 99% and excellent enantioselectivities of up to >99% ee with broad functional group compatibility. Mechanistic investigations suggest that an intermediate rhodium enolate complex acts as a reductive quencher to initiate a radical process with the aryl azides and α-diazo carboxylic esters serving as precursors for nitrogen and carbon-centered radicals, respectively. This is the first report on using aryl azides and α-diazo carboxylic esters as substrates for asymmetric catalysis under photoredox conditions. These reagents have the advantage that molecular nitrogen is the leaving group and sole byproduct in this reaction.

21 CFR 1.401 - Who is entitled to appeal?

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Who is entitled to appeal? 1.401 Section 1.401 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL GENERAL ENFORCEMENT REGULATIONS Administrative Detention of Food for Human or Animal Consumption What Is the Appeal...

Catalysis looks to the future. Panel on new directions in catalytic science and technology

Energy Technology Data Exchange (ETDEWEB)

1992-12-31

Catalysts play a vital role in providing society with fuels, commodity and fine chemicals, pharmaceuticals, and means for protecting the environment. To be useful, a good catalyst must have a high turnover frequency (activity), produce the right kind of product (selectivity), and have a long life (durability), all at an acceptable cost. Research in the field of catalysis provides the tools and understanding required to facilitate and accelerate the development of improved catalysts and to open opportunities for the discovery of new catalytic processes. The aim of this report is to identify the research opportunities and challenges for catalysis in the coming decades and to detail the resources necessary to ensure steady progress. Chapter 2 discusses opportunities for developing new catalysts to meet the demands of the chemical and fuel industries, and the increasing role of catalysis in environmental protection. The intellectual challenges for advancing the frontiers of catalytic science are outlined in Chapter 3. The human and institutional resources available in the US for carrying out research on catalysis are summarized in Chapter 4. The findings and recommendations of the panel for industry, academe, the national laboratories, and the federal government are presented in Chapter 5.

76 FR 2758 - Agency Information Collection (Evidence for Transfer of Entitlement of Education Benefits (CFR 21...

Science.gov (United States)

2011-01-14

... for Transfer of Entitlement of Education Benefits (CFR 21.7080)) Activity Under OMB Review AGENCY... INFORMATION: Title: Evidence for Transfer of Entitlement of Education Benefits (CFR 21.7080). OMB Control... DOD Form 2366-1 to determine whether the dependent qualifies to receive education benefits under the...

Buildings energy management program workshop design. Final report

Energy Technology Data Exchange (ETDEWEB)

None

1978-12-01

This document describes activities undertaken by Honeywell's Energy Resources Center for design and development of the format, content, and materials that were used in conducting 129 one-day energy management workshops for specific commercial business audiences. The Building Energy Management Workshop Program was part of a National Workshop Program that was intended to increase awareness of energy-related issues and to encourage energy-conservation actions on the part of commercial and industrial sectors. The total effort included executive conferences for chief executive officers and other senior management personnel; industrial energy-conservation workshops directed at plant management and engineering personnel; vanpooling workshops designed to inform and encourage business in implementing a vanpooling program for employees; and the building energy-management workshops specifically developed for managers, owners, and operators of office and retail facilities, restaurants, and supermarkets. The total program spanned nearly two years and reached approximately 2,500 participants from all parts of the U.S. A detailed followup evaluation is still being conducted to determine the impact of this program in terms of conservation action undertaken by workshop participants.

Active sites engineering of metal-organic frameworks for heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Li, Xinle [Iowa State Univ., Ames, IA (United States)

2016-12-17

In conclusion, we have for the first time developed a novel solid base catalyst, Ndoped MOF-253 derived porous carbons (Cz-MOF-253). Cz-MOF-253 is highly porous and exhibit high efficiency in Knoevenagel condensation reaction. Furthermore, Cz-MOF-253 is robust and can be reused up to five times. In comparison, the analogous nitrogen-free catalyst-Cz-DUT-5, and other nitrogen- MOFs derived carbon showed an inferior performance. Moreover, the high basicity and porous nature enable the design of bifunctional catalyst and facilitate tandem condensation-hydrogenation reactions. This work delineates the first attempt that demonstrates MOF-derived carbons as solid base catalyst and its potential application in tandem catalysis. Future work on exploring new catalytic reactions based on such porous Lewis basic MOF-derived carbons is currently underway.

From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity

Energy Technology Data Exchange (ETDEWEB)

Lobo, Raul F.; Crooks, Richard M.; Mavrikakis, Manos

2014-04-08

“Catalysis by design” has been a dream for decades. To specify the composition and structure of matter to effect a desired catalytic transformation with desired and predicted rate and selectivity remains a monumental challenge, especially in heterogeneous catalysis. Our research thrusts have been chosen not only for their practical and scientific relevance, e.g. for more efficient and sustainable chemicals and fuels production, but also because they provide a foundation for developing and exploring broadly applicable principles and strategies for catalyst design.

Pengaruh Program Gemar Membaca terhadap Kemampuan Mengarang Siswa Kelas IV SD

Directory of Open Access Journals (Sweden)

Hakimah Saidah

2017-12-01

Full Text Available The reading program is another name for reading literature used by SDN Bugangan 02Semarang. Implementation of the program likes to read that is 15 minutes before the learning activities of students reading books with the title as he wishes. In this study students are given a book entitled "a collection of children's stories about the habit of eating healthy food". This short story contains six titles of children with a theme of healthy food. This theme is in accordance with the 9th grade theme teacher's book. This study aims to determine the effect of reading programs on the ability to make students. This research uses Pre-Experiment Designs with quantitative approach. The sample of this research is all students of grade IV SDN Bugangan 02 Semarang. The results of this study indicate that reading programs affect students' writing ability.

Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: A theoretical study of unusual H-bond-assisted catalysis

Czech Academy of Sciences Publication Activity Database

Srnec, Martin; Ončák, Milan; Zahradník, Rudolf

2008-01-01

Roč. 112, č. 6 (2008), s. 3631-3637 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : hypofluorous acid * self-catalysis * Rozen oxidation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.871, year: 2008

Program Helps Design Tests Of Developmental Software

Science.gov (United States)

Hops, Jonathan

1994-01-01

Computer program called "A Formal Test Representation Language and Tool for Functional Test Designs" (TRL) provides automatic software tool and formal language used to implement category-partition method and produce specification of test cases in testing phase of development of software. Category-partition method useful in defining input, outputs, and purpose of test-design phase of development and combines benefits of choosing normal cases having error-exposing properties. Traceability maintained quite easily by creating test design for each objective in test plan. Effort to transform test cases into procedures simplified by use of automatic software tool to create cases based on test design. Method enables rapid elimination of undesired test cases from consideration and facilitates review of test designs by peer groups. Written in C language.

Density functional theory in surface science and heterogeneous catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

2006-01-01

Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

Alkylation of hydrothiophosphoryl compounds in conditions of interphase catalysis

International Nuclear Information System (INIS)

Aladzheva, I.M.; Odinets, I.L.; Petrovskij, P.V.; Mastryukova, T.A.; Kabachkin, M.I.

1993-01-01

A method of interphase catalysis permitted to develop a common method for synthesis of compounds with thiophosphoryl group. The effect of nature of hydrothiophosphoryl compound, alkylating agent, two-phase system and reaction conditions on alkylation product yields was investigated in detail

FORUM: Instructional Communication and Millennial Students: Millennial Students in the College Classroom: Adjusting to Academic Entitlement

Science.gov (United States)

Goldman, Zachary W.; Martin, Matthew M.

2016-01-01

Academic entitlement (AE) refers to the expectation of educational success despite the input of personal effort needed to earn it (Boswell, 2012). Entitled students feel that learning should require minimal work and that difficulties encountered during the learning process should be attributed to instructors, rather than themselves. AE has become…

Cp2 TiX Complexes for Sustainable Catalysis in Single-Electron Steps.

Science.gov (United States)

Richrath, Ruben B; Olyschläger, Theresa; Hildebrandt, Sven; Enny, Daniel G; Fianu, Godfred D; Flowers, Robert A; Gansäuer, Andreas

2018-04-25

We present a combined electrochemical, kinetic, and synthetic study with a novel and easily accessible class of titanocene catalysts for catalysis in single-electron steps. The tailoring of the electronic properties of our Cp 2 TiX-catalysts that are prepared in situ from readily available Cp 2 TiX 2 is achieved by varying the anionic ligand X. Of the complexes investigated, Cp 2 TiOMs proved to be either equal or substantially superior to the best catalysts developed earlier. The kinetic and thermodynamic properties pertinent to catalysis have been determined. They allow a mechanistic understanding of the subtle interplay of properties required for an efficient oxidative addition and reduction. Therefore, our study highlights that efficient catalysts do not require the elaborate covalent modification of the cyclopentadienyl ligands. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface science and model catalysis with ionic liquid-modified materials.

Science.gov (United States)

Steinrück, H-P; Libuda, J; Wasserscheid, P; Cremer, T; Kolbeck, C; Laurin, M; Maier, F; Sobota, M; Schulz, P S; Stark, M

2011-06-17

Materials making use of thin ionic liquid (IL) films as support-modifying functional layer open up a variety of new possibilities in heterogeneous catalysis, which range from the tailoring of gas-surface interactions to the immobilization of molecularly defined reactive sites. The present report reviews recent progress towards an understanding of "supported ionic liquid phase (SILP)" and "solid catalysts with ionic liquid layer (SCILL)" materials at the microscopic level, using a surface science and model catalysis type of approach. Thin film IL systems can be prepared not only ex-situ, but also in-situ under ultrahigh vacuum (UHV) conditions using atomically well-defined surfaces as substrates, for example by physical vapor deposition (PVD). Due to their low vapor pressure, these systems can be studied in UHV using the full spectrum of surface science techniques. We discuss general strategies and considerations of this approach and exemplify the information available from complementary methods, specifically photoelectron spectroscopy and surface vibrational spectroscopy. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Environmental qualification program for new designs

International Nuclear Information System (INIS)

Doerffer, K.

2007-01-01

Qualification of nuclear power plant equipment and components important to safety (ITS) is an integral part of the design process. The qualification methodology differs based on the severity of service conditions (operational and ambient), to which the ITS equipment is exposed. In Canada, the licensing requirements for environmental qualification for new designs are governed by the Canadian Standard Association (CSA) standard, N290.13-2005 titled 'Environmental Qualification of Equipment for CANDU Nuclear Power Plants' and the pre-consultation draft, 'Requirements for Design of Nuclear Power Plants'(DRD), issued for trial use by the Canadian Nuclear Safety Commission (CNSC) in March 2005. This paper will describe AECL's current Environmental Qualification program developed to comply with the above licensing requirements as applied to new designs. The focus will be given to qualification of ITS systems structures and components (SSC) to harsh conditions occurring due to the Design Basis Accidents (DBA). (author)

Successful Bullying Prevention Programs: Influence of Research Design, Implementation Features, and Program Components

Directory of Open Access Journals (Sweden)

Bryanna Hahn Fox

2012-12-01

Full Text Available Bullying prevention programs have been shown to be generally effective in reducing bullying and victimization. However, the effects are relatively small in randomized experiments and greater in quasi-experimental and age-cohort designs. Programs that are more intensive and of longer duration (for both children and teachers are more effective, as are programs containing more components. Several program components are associated with large effect sizes, including parent training or meetings and teacher training. These results should inform the design and evaluation of anti-bullying programs in the future, and a system ofaccreditation of effective programs.

Microbial electro-catalysis in fuel cell

International Nuclear Information System (INIS)

Dumas, Claire

2007-01-01

Microbial fuel cells (MFC) are devices that ensure the direct conversion of organic matter into electricity using bacterial bio-films as the catalysts of the electrochemical reactions. This study aims at improving the comprehension of the mechanisms involved in electron transfer pathways between the adhered bacteria and the electrodes. This optimization of the MFC power output could be done, for example, in exploring and characterizing various electrode materials. The electrolysis experiments carried out on Geobacter sulfurreducens deal with the microbial catalysis of the acetate oxidation, on the one hand, and the catalysis of the fumarate reduction on the other hand. On the anodic side, differences in current densities appeared on graphite, DSA R and stainless steel (8 A/m 2 , 5 A/m 2 and 0.7 A/m 2 respectively). These variations were explained more by materials roughness differences rather than their nature. Impedance spectroscopy study shows that the electro-active bio-film developed on stainless steel does not seem to modify the evolution of the stainless steel oxide layer, only the imposed potential remains determining. On the cathodic side, stainless steel sustained current densities more than twenty times higher than those obtained with graphite electrodes. The adhesion study of G. sulfurreducens on various materials in a flow cell, suggests that the bio-films resist to the hydrodynamic constraints and are not detached under a shear stress threshold value. The installation of two MFC prototypes, one in a sea station and the other directly in Genoa harbour (Italy) confirms some results obtained in laboratory and were promising for a MFC scale-up. (author) [fr

Programming languages for circuit design.

Science.gov (United States)

Pedersen, Michael; Yordanov, Boyan

2015-01-01

This chapter provides an overview of a programming language for Genetic Engineering of Cells (GEC). A GEC program specifies a genetic circuit at a high level of abstraction through constraints on otherwise unspecified DNA parts. The GEC compiler then selects parts which satisfy the constraints from a given parts database. GEC further provides more conventional programming language constructs for abstraction, e.g., through modularity. The GEC language and compiler is available through a Web tool which also provides functionality, e.g., for simulation of designed circuits.

Residential energy efficiency retrofits: How program design affects participation and outcomes

International Nuclear Information System (INIS)

Hoicka, Christina E.; Parker, Paul; Andrey, Jean

2014-01-01

Better methods of characterizing and addressing heterogeneity in preferences and decision making are needed to stimulate reductions in household greenhouse gas emissions. Four residential energy efficiency programs were delivered consecutively in the Region of Waterloo, Canada, between 1999 and 2011, and each offered a unique combination of information, financial reward structure, and price. A natural quasi-experimental intervention design was employed to assess differences in outcomes across these program structures. Participation at the initial (evaluation by an energy advisor) and follow-up (verification of retrofit) stages, and the material characteristics (e.g., energy performance) were measured and compared between the groups of houses included in each program at each stage. The programs appealed to people with different types of material concerns; each phase of the program was associated with houses with a different mix of material characteristics and depths of recommended and achieved changes. While a performance-based reward attracted fewer houses at each stage than a larger list-based reward, older houses with poorer energy performance were included at each stage. The findings support experimentation with program designs to target sub-populations of housing stock; future program designs should experiment more carefully and with larger performance-based rewards and test parallels with potential carbon market structures. - Highlights: • Multi-program data over 12 years detailing residential energy retrofits. • Natural experimental intervention research design for program evaluation. • Number and attributes of participating households differed by program design. • Financial rewards attracted more participants to the verification stage. • Performance-based incentives have the largest potential for energy savings

Supramolecular chemistry and chemical warfare agents: from fundamentals of recognition to catalysis and sensing.

Science.gov (United States)

Sambrook, M R; Notman, S

2013-12-21

Supramolecular chemistry presents many possible avenues for the mitigation of the effects of chemical warfare agents (CWAs), including sensing, catalysis and sequestration. To-date, efforts in this field both to study fundamental interactions between CWAs and to design and exploit host systems remain sporadic. In this tutorial review the non-covalent recognition of CWAs is considered from first principles, including taking inspiration from enzymatic systems, and gaps in fundamental knowledge are indicated. Examples of synthetic systems developed for the recognition of CWAs are discussed with a focus on the supramolecular complexation behaviour and non-covalent approaches rather than on the proposed applications.

Magnetic Catalysis of Chiral Symmetry Breaking: A Holographic Prospective

International Nuclear Information System (INIS)

Filev, V.; Rashkov, R.; Rashkov, R.

2010-01-01

We review a recent investigation of the effect of magnetic catalysis of mass generation in holographic Yang-Mills theories. We aim at a self-contained and pedagogical form of the review. We provide a brief field theory background and review the basics of holographic flavordynamics. The main part of the paper investigates the influence of external magnetic field to holographic gauge theories dual to the D3/D5- and D3/D7-brane intersections. Among the observed phenomena are the spontaneous breaking of a global internal symmetry, Zeeman splitting of the energy levels, and the existence of pseudo, Goldstone modes. An analytic derivation of the Gell-Mann-Oaks-Renner relation for the D3/D7 set up is reviewed. In the D3/D5 case, the pseudo-Goldstone modes satisfy nonrelativistic dispersion relation. The studies reviewed confirm the universal nature of the magnetic catalysis of mass generation.

Proton Mediated Chemistry and Catalysis in a Self-Assembled Supramolecular Host

Energy Technology Data Exchange (ETDEWEB)

Pluth, Michael; Bergman, Robert; Raymond, Kenneth

2009-04-10

Synthetic supramolecular host assemblies can impart unique reactivity to encapsulated guest molecules. Synthetic host molecules have been developed to carry out complex reactions within their cavities, despite the fact that they lack the type of specifically tailored functional groups normally located in the analogous active sites of enzymes. Over the past decade, the Raymond group has developed a series of self-assembled supramolecules and the Bergman group has developed and studied a number of catalytic transformations. In this Account, we detail recent collaborative work between these two groups, focusing on chemical catalysis stemming from the encapsulation of protonated guests and expanding to acid catalysis in basic solution. We initially investigated the ability of a water-soluble, self-assembled supramolecular host molecule to encapsulate protonated guests in its hydrophobic core. Our study of encapsulated protonated amines revealed rich host-guest chemistry. We established that self-exchange (that is, in-out guest movement) rates of protonated amines were dependent on the steric bulk of the amine rather than its basicity. The host molecule has purely rotational tetrahedral (T) symmetry, so guests with geminal N-methyl groups (and their attendant mirror plane) were effectively desymmetrized; this allowed for the observation and quantification of the barriers for nitrogen inversion followed by bond rotation. Furthermore, small nitrogen heterocycles, such as N-alkylaziridines, N-alkylazetidines, and N-alkylpyrrolidines, were found to be encapsulated as proton-bound homodimers or homotrimers. We further investigated the thermodynamic stabilization of protonated amines, showing that encapsulation makes the amines more basic in the cavity. Encapsulation raises the effective basicity of protonated amines by up to 4.5 pK{sub a} units, a difference almost as large as that between the moderate and strong bases carbonate and hydroxide. The thermodynamic stabilization

Proton-Mediated Chemistry and Catalysis in a Self-Assembled Supramolecular Host

International Nuclear Information System (INIS)

Pluth, Michael; Bergman, Robert; Raymond, Kenneth

2009-01-01

Synthetic supramolecular host assemblies can impart unique reactivity to encapsulated guest molecules. Synthetic host molecules have been developed to carry out complex reactions within their cavities, despite the fact that they lack the type of specifically tailored functional groups normally located in the analogous active sites of enzymes. Over the past decade, the Raymond group has developed a series of self-assembled supramolecules and the Bergman group has developed and studied a number of catalytic transformations. In this Account, we detail recent collaborative work between these two groups, focusing on chemical catalysis stemming from the encapsulation of protonated guests and expanding to acid catalysis in basic solution. We initially investigated the ability of a water-soluble, self-assembled supramolecular host molecule to encapsulate protonated guests in its hydrophobic core. Our study of encapsulated protonated amines revealed rich host-guest chemistry. We established that self-exchange (that is, in-out guest movement) rates of protonated amines were dependent on the steric bulk of the amine rather than its basicity. The host molecule has purely rotational tetrahedral (T) symmetry, so guests with geminal N-methyl groups (and their attendant mirror plane) were effectively desymmetrized; this allowed for the observation and quantification of the barriers for nitrogen inversion followed by bond rotation. Furthermore, small nitrogen heterocycles, such as N-alkylaziridines, N-alkylazetidines, and N-alkylpyrrolidines, were found to be encapsulated as proton-bound homodimers or homotrimers. We further investigated the thermodynamic stabilization of protonated amines, showing that encapsulation makes the amines more basic in the cavity. Encapsulation raises the effective basicity of protonated amines by up to 4.5 pK a units, a difference almost as large as that between the moderate and strong bases carbonate and hydroxide. The thermodynamic stabilization of

Structural and catalytic effects of an invariant purine substitution in the hammerhead ribozyme: implications for the mechanism of acid–base catalysis

Science.gov (United States)

Schultz, Eric P.; Vasquez, Ernesto E.; Scott, William G.

2014-01-01

The hammerhead ribozyme catalyzes RNA cleavage via acid–base catalysis. Whether it does so by general acid–base catalysis, in which the RNA itself donates and abstracts protons in the transition state, as is typically assumed, or by specific acid–base catalysis, in which the RNA plays a structural role and proton transfer is mediated by active-site water molecules, is unknown. Previous biochemical and crystallographic experiments implicate an invariant purine in the active site, G12, as the general base. However, G12 may play a structural role consistent with specific base catalysis. To better understand the role of G12 in the mechanism of hammerhead catalysis, a 2.2 Å resolution crystal structure of a hammerhead ribozyme from Schistosoma mansoni with a purine substituted for G12 in the active site of the ribozyme was obtained. Comparison of this structure (PDB entry 3zd4), in which A12 is substituted for G, with three previously determined structures that now serve as important experimental controls, allows the identification of structural perturbations that are owing to the purine substitution itself. Kinetic measurements for G12 purine-substituted schistosomal hammerheads confirm a previously observed dependence of rate on the pK a of the substituted purine; in both cases inosine, which is similar to G in pK a and hydrogen-bonding properties, is unexpectedly inactive. Structural comparisons indicate that this may primarily be owing to the lack of the exocyclic 2-amino group in the G12A and G12I substitutions and its structural effect upon both the nucleotide base and phosphate of A9. The latter involves the perturbation of a previously identified and well characterized metal ion-binding site known to be catalytically important in both minimal and full-length hammerhead ribozyme sequences. The results permit it to be suggested that G12 plays an important role in stabilizing the active-site structure. This result, although not inconsistent with the

Structural and catalytic effects of an invariant purine substitution in the hammerhead ribozyme: implications for the mechanism of acid-base catalysis.

Science.gov (United States)

Schultz, Eric P; Vasquez, Ernesto E; Scott, William G

2014-09-01

The hammerhead ribozyme catalyzes RNA cleavage via acid-base catalysis. Whether it does so by general acid-base catalysis, in which the RNA itself donates and abstracts protons in the transition state, as is typically assumed, or by specific acid-base catalysis, in which the RNA plays a structural role and proton transfer is mediated by active-site water molecules, is unknown. Previous biochemical and crystallographic experiments implicate an invariant purine in the active site, G12, as the general base. However, G12 may play a structural role consistent with specific base catalysis. To better understand the role of G12 in the mechanism of hammerhead catalysis, a 2.2 Å resolution crystal structure of a hammerhead ribozyme from Schistosoma mansoni with a purine substituted for G12 in the active site of the ribozyme was obtained. Comparison of this structure (PDB entry 3zd4), in which A12 is substituted for G, with three previously determined structures that now serve as important experimental controls, allows the identification of structural perturbations that are owing to the purine substitution itself. Kinetic measurements for G12 purine-substituted schistosomal hammerheads confirm a previously observed dependence of rate on the pK(a) of the substituted purine; in both cases inosine, which is similar to G in pK(a) and hydrogen-bonding properties, is unexpectedly inactive. Structural comparisons indicate that this may primarily be owing to the lack of the exocyclic 2-amino group in the G12A and G12I substitutions and its structural effect upon both the nucleotide base and phosphate of A9. The latter involves the perturbation of a previously identified and well characterized metal ion-binding site known to be catalytically important in both minimal and full-length hammerhead ribozyme sequences. The results permit it to be suggested that G12 plays an important role in stabilizing the active-site structure. This result, although not inconsistent with the potential

Entitled vengeance: A meta-analysis relating narcissism to provoked aggression.

Science.gov (United States)

Rasmussen, Kyler

2016-07-01

Narcissism has long been used to predict aggressive or vengeful responses to provocations from others. The strength of this relation can, however, vary widely from study to study. Narcissism and revenge were examined in 84 independent samples (N = 11297), along with the moderating role of sample type (i.e., child/adolescent, prisoner, undergraduate, or general samples), type of narcissism measure used (i.e., Narcissistic Personality Inventory, Psychological Entitlement Scale, Short D3, etc.), the nature of the provocation, and the type of provoked aggression examined. Narcissism was positively related to provoked aggression across studies (ρ = .25), but that relation was stronger in child/adolescent samples (ρ = .36) and when measures of entitlement or vulnerable narcissism were employed (ρ = .29). Implications for practical research, as well as neglected areas of research on narcissism and provoked aggression are discussed. Aggr. Behav. 42:362-379, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

NASA universities advanced space design program, focus on nuclear engineering

International Nuclear Information System (INIS)

Lyon, W.F. III; George, J.A.; Alred, J.W.; Peddicord, K.L.

1987-01-01

In January 1985, the National Aeronautics and Space Administration (NASA), in affiliation with the Universities Space Research Association (USRA), inaugurated the NASA Universities Advanced Space Design Program. The purpose of the program was to encourage participating universities to utilize design projects for the senior and graduate level design courses that would focus on topics relevant to the nation's space program. The activities and projects being carried out under the NASA Universities Advanced Space Design Program are excellent experiences for the participants. This program is a well-conceived, well-planned effort to achieve the maximum benefit out of not only the university design experience but also of the subsequent summer programs. The students in the university design classes have the opportunity to investigate dramatic and new concepts, which at the same time have a place in a program of national importance. This program could serve as a very useful model for the development of university interaction with other federal agencies

Generating carbyne equivalents with photoredox catalysis

Science.gov (United States)

Wang, Zhaofeng; Herraiz, Ana G.; Del Hoyo, Ana M.; Suero, Marcos G.

2018-02-01

Carbon has the unique ability to bind four atoms and form stable tetravalent structures that are prevalent in nature. The lack of one or two valences leads to a set of species—carbocations, carbanions, radicals and carbenes—that is fundamental to our understanding of chemical reactivity. In contrast, the carbyne—a monovalent carbon with three non-bonded electrons—is a relatively unexplored reactive intermediate; the design of reactions involving a carbyne is limited by challenges associated with controlling its extreme reactivity and the lack of efficient sources. Given the innate ability of carbynes to form three new covalent bonds sequentially, we anticipated that a catalytic method of generating carbynes or related stabilized species would allow what we term an ‘assembly point’ disconnection approach for the construction of chiral centres. Here we describe a catalytic strategy that generates diazomethyl radicals as direct equivalents of carbyne species using visible-light photoredox catalysis. The ability of these carbyne equivalents to induce site-selective carbon-hydrogen bond cleavage in aromatic rings enables a useful diazomethylation reaction, which underpins sequencing control for the late-stage assembly-point functionalization of medically relevant agents. Our strategy provides an efficient route to libraries of potentially bioactive molecules through the installation of tailored chiral centres at carbon-hydrogen bonds, while complementing current translational late-stage functionalization processes. Furthermore, we exploit the dual radical and carbene character of the generated carbyne equivalent in the direct transformation of abundant chemical feedstocks into valuable chiral molecules.

Usability Issues in the Design of Novice Programming Systems,

Science.gov (United States)

1996-08-01

lists this as a design principle for novice programming environments. In traditional compiled languages, beginners are also confused by the need to...programming task external knowledge that might interfere with correct under- standing of the language. Most beginner programming errors can be...language for text editing, but [Curtis 1988] found that a textual pseudocode and graphical flowcharts were both bet- ter than natural language in program

Agentic and communal narcissism and satisfaction with life: The mediating role of psychological entitlement and self-esteem.

Science.gov (United States)

Żemojtel-Piotrowska, Magdalena A; Piotrowski, Jarosław P; Maltby, John

2017-10-01

This study examined the mediational role of self-esteem (as an enhancement) and psychological entitlement (as a cost) in the relationship between an agentic-communal model of grandiose narcissism and satisfaction with life. Two hundred and forty-eight university undergraduate students completed measures of agentic and communal narcissism, self-esteem, psychological entitlement and satisfaction with life. The findings suggest that there is support for the usefulness of the agentic-communal model of narcissism, and, consistent with predictions in the wider literature, self-esteem and psychological entitlement mediated the relationship between agentic-communal narcissism and life satisfaction. © 2015 International Union of Psychological Science.

System 80+{trademark} Standard Design: CESSAR design certification. Volume 9: Amendment I

Energy Technology Data Exchange (ETDEWEB)

1990-12-21

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80{sup +}{trademark} Standard Design. This volume 9 discusses Electric Power and Auxiliary Systems.

Comparing oncology clinical programs by use of innovative designs and expected net present value optimization: Which adaptive approach leads to the best result?

Science.gov (United States)

Parke, Tom; Marchenko, Olga; Anisimov, Vladimir; Ivanova, Anastasia; Jennison, Christopher; Perevozskaya, Inna; Song, Guochen

2017-01-01

Designing an oncology clinical program is more challenging than designing a single study. The standard approaches have been proven to be not very successful during the last decade; the failure rate of Phase 2 and Phase 3 trials in oncology remains high. Improving a development strategy by applying innovative statistical methods is one of the major objectives of a drug development process. The oncology sub-team on Adaptive Program under the Drug Information Association Adaptive Design Scientific Working Group (DIA ADSWG) evaluated hypothetical oncology programs with two competing treatments and published the work in the Therapeutic Innovation and Regulatory Science journal in January 2014. Five oncology development programs based on different Phase 2 designs, including adaptive designs and a standard two parallel arm Phase 3 design were simulated and compared in terms of the probability of clinical program success and expected net present value (eNPV). In this article, we consider eight Phase2/Phase3 development programs based on selected combinations of five Phase 2 study designs and three Phase 3 study designs. We again used the probability of program success and eNPV to compare simulated programs. For the development strategies, we considered that the eNPV showed robust improvement for each successive strategy, with the highest being for a three-arm response adaptive randomization design in Phase 2 and a group sequential design with 5 analyses in Phase 3.

Studies of Metal-Metal Bonded Compounds in Catalysis

Energy Technology Data Exchange (ETDEWEB)

Berry, John F. [Univ. of Wisconsin, Madison, WI (United States)

2018-01-19

The overall goals of this research are (1) to define the fundamental coordination chemistry underlying successful catalytic transformations promoted by metal-metal bonded compounds, and (2) to explore new chemical transformations that occur at metal-metal bonded sites that could lead to the discovery of new catalytic processes. Transformations of interest include metal-promoted reactions of carbene, nitrene, or nitrido species to yield products with new C–C and C–N bonds, respectively. The most promising suite of transition metal catalysts for these transformations is the set of metal-metal bonded coordination compounds of Ru and Rh of the general formula M₂(ligand)₄, where M = Ru or Rh and ligand = a monoanionic, bridging ligand such as acetate. Development of new catalysts and improvement of catalytic conditions have been stymied by a general lack of knowledge about the nature of highly reactive intermediates in these reactions, the knowledge that is to be supplied by this work. Our three specific objectives for this year have been (A) to trap, isolate, and characterize new reactive intermediates of general relevance to catalysis, (B) to explore the electronic structure and reactivity of these unusual species, and how these two properties are interrelated, and (C) to use our obtained mechanistic knowledge to design new catalysts with a focus on Earth-abundant first-row transition metal compounds.

Ir/Sn dual-reagent catalysis towards highly selective alkylation of ...

Indian Academy of Sciences (India)

Wintec

Organometallic; bimetallic; catalysis; alkylation; benzyl alcohol; iridium, tin. 1. Introduction ... cording to our proposal, the oxidative addition of tin(IV) halides across a ..... 33. 4. Conclusion. In summary, we have demonstrated here an Ir/Sn.

EGUN: An electron optics and gun design program

International Nuclear Information System (INIS)

Herrmannsfeldt, W.B.

1988-10-01

The name EGUN has become commonly associated with the program also known as the SLAC Electron Trajectory Program. This document is an updated version of SLAC-226, published in 1979. The program itself has had substantial upgrading since then, but only a few new features are of much concern to the user. Most of the improvements are internal and are intended to improve speed or accuracy. EGUN is designed to compute trajectories of charged particles in electrostatic and magnetostatic fields, including the effects of space charge and self-magnetic fields. Starting options include Child's Law conditions on cathodes of various shapes, as well as used specified initial conditions. Either rectangular or cylindrical symmetry may be used. In the new jargon, the program is a 2-1/2 dimension code meaning 2-D in all fields and 3-D in all particle motion. A Poisson's Equation Solver is used to find the electrostatic fields by using difference equations derived from the boundary conditions. Magnetic fields are to be specified externally, by the user, by using one of several methods including data from another program or arbitrary configurations of coils. This edition of the documentation also covers the program EGN87c, which is a recently developed version of EGUN designed to be used on the newer models of personal computers, small main frames, work stations, etc. The EGN87c program uses the programming language C which is very transportable so the program should operate on any system that supports C. Plotting routines for most common PC monitors are included, and the capability to make hard copy plots on dot-matrix printer-plotters is provided. 18 refs., 7 figs

Hanford Site waste tank farm facilities design reconstitution program plan

International Nuclear Information System (INIS)

Vollert, F.R.

1994-01-01

Throughout the commercial nuclear industry the lack of design reconstitution programs prior to the mid 1980's has resulted in inadequate documentation to support operating facilities configuration changes or safety evaluations. As a result, many utilities have completed or have ongoing design reconstitution programs and have discovered that without sufficient pre-planning their program can be potentially very expensive and may result in end-products inconsistent with the facility needs or expectations. A design reconstitution program plan is developed here for the Hanford waste tank farms facility as a consequence of the DOE Standard on operational configuration management. This design reconstitution plan provides for the recovery or regeneration of design requirements and basis, the compilation of Design Information Summaries, and a methodology to disposition items open for regeneration that were discovered during the development of Design Information Summaries. Implementation of this plan will culminate in an end-product of about 30 Design Information Summary documents. These documents will be developed to identify tank farms facility design requirements and design bases and thereby capture the technical baselines of the facility. This plan identifies the methodology necessary to systematically recover documents that are sources of design input information, and to evaluate and disposition open items or regeneration items discovered during the development of the Design Information Summaries or during the verification and validation processes. These development activities will be governed and implemented by three procedures and a guide that are to be developed as an outgrowth of this plan

Nanoscale Advances in Catalysis and Energy Applications

Energy Technology Data Exchange (ETDEWEB)

Li, Yimin; Somorjai, Gabor A.

2010-05-12

In this perspective, we present an overview of nanoscience applications in catalysis, energy conversion, and energy conservation technologies. We discuss how novel physical and chemical properties of nanomaterials can be applied and engineered to meet the advanced material requirements in the new generation of chemical and energy conversion devices. We highlight some of the latest advances in these nanotechnologies and provide an outlook at the major challenges for further developments.

Off ramp : a secondary school TDM program

Energy Technology Data Exchange (ETDEWEB)

Haq, F. [Better Environmentally Sound Transportation (BEST), Vancouver, BC (Canada)

2002-07-01

The cities of Vancouver and Victoria in British Columbia have implemented a high school vehicle trip reduction program entitled Off-Ramp. The program, created by BEST, is about youth empowerment to help youths lead their peers to walk, cycle, skateboard, in-line skate, or carpool to school for a sustainable environment. Students raise awareness through media and drama to counter pop images of driving as being cool. Sponsorship is very important to the success of the program.

Entitlement to Sickness Benefits in Sweden: The Social Insurance Officers Experiences

Directory of Open Access Journals (Sweden)

Ulrika Müssener

2008-01-01

Full Text Available Background: Social insurance offices (SIOs handle a wide range of complex assessments of the entitlement to sickness benefits for an increasing number of clients on sick leave and consequently, the demands on the SIOs have increased considerably.Aim: To gain deeper knowledge of the problems experienced by the SIOs in their work associated with entitlement to sickness benefits.Method: A descriptive and explorative qualitative approach was used to analyse data from two focus-group interviews, including six participants in each group.Results: The participants discussed different dilemmas in regard to; physicians’ responsibility for issuing sickness certificates, interactions with the insured individuals, disclosure of decisions, communications with medical consultants, documentation of sickness benefit claims, threats in the workplace, as well as their own competence. The SIOs regarded incomplete information on sickness certificates as a main problem, because they frequently had to contact the client and the physicians who issued the certificates in order to obtain further details, leading to delays in the decision-making whether to grant sickness benefits.Conclusions: More knowledge regarding SIOs work is required to improve the methods used in the sickness insurance system and to ensure adequate training of new staff members.

User's guide for LTGSTD24 program, Version 2. 4

Energy Technology Data Exchange (ETDEWEB)

Hanlon, R.L.; Connell, L.M.

1993-05-01

On January 30, 1989, the US Department of Energy (DOE) promulgated an interim rule entitled [open quotes]Energy Conservation Voluntary Performance Standards for New Commercial and Multi-Family High Rise Residential Buildings; Mandatory for New Federal Buildings[close quotes] (10 CFR Part 435, Subpart A). These standards require federal agencies to design all future federal commercial and multifamily high-rise residential buildings in accordance with the standards, or demonstrate that their current requirements already meet or exceed the energy-efficiency requirements of the standards. Although these newly enacted standards do not regulate the design of non-federal buildings, the DOE recommends that all design professionals use the standards as guidelines for designing energy-conserving buildings. To encourage private sector use, the DOE published the standards in the January 30, 1989, Federal Register in the format typical of commercial standards. The Pacific Northwest Laboratory developed several computer programs for the DOE to make it easier for designers to comply with the standards. One of the programs, LTGSTD24 (Version 2.4), is detailed in this user's guide and is provided on the accompanying diskettes. The program will facilitate the designer's use of the standards dealing specifically with building lighting design. Using this program will greatly simplify the designer's task of performing the calculations needed to determine if a design complies with the standards.

Asymmetric catalysis in the cyclopropanation of olefins; Catalise assimetrica na ciclopropanacao de olefinas

Energy Technology Data Exchange (ETDEWEB)

Leao, Raquel A.C.; Ferreira, Vitor F.; Pinheiro, Sergio [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Dept. de Quimica Organica]. E-mail: cegvito@vm.uff.br

2007-07-01

The main methodologies in the asymmetric cyclopropanation of alkenes with emphasis on asymmetric catalysis are covered. Examples are the Simmons-Smith reaction, the use of diazoalkanes and reactions carried out by decomposition of alpha-diazoesters in the presence of transition metals. (author)

Slide layout and integrated design (SLIDE) program

International Nuclear Information System (INIS)

Roberts, S.G.

1975-01-01

SLIDE is a FORTRAN IV program for producing 35 mm color slides on the Control Data CYBER-74. SLIDE interfaces with the graphics package, DISSPLA, on the CYBER-74. It was designed so that persons with no previous computer experience can easily and quickly generate their own textual 35 mm color slides for verbal presentations. SLIDE's features include seven different colors, five text sizes, ten tab positions, and two page sizes. As many slides as desired may be produced during any one run of the program. Each slide is designed to represent an 8 1 / 2 in. x 11 in. or an 11 in. x 8 1 / 2 in. page. The input data cards required to run the SLIDE program and the program output are described. Appendixes contain a sample program run showing input, output, and the resulting slides produced and a FORTRAN listing of the SLIDE program. (U.S.)

System 80+{trademark} Standard Design: CESSAR design certification. Volume 8: Amendment I

Energy Technology Data Exchange (ETDEWEB)

1990-12-21

This report, entitled Combustion Engineering Standard Safety Analysis Report -- Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These volumes describe the Combustion Engineering, Inc. System 80{sup +}{trademark} Standard Design. This volume 8 provides a description of instrumentation and controls.

Intelligent Flight Control Simulation Research Program

National Research Council Canada - National Science Library

Stolarik, Brian

2007-01-01

...). Under the program, entitled "Intelligent Flight Control Simulation Research Laboratory," a variety of technologies were investigated or developed during the course of the research for AFRL/VAC...

System 80+{trademark} Standard Design: CESSAR design certification. Volume 3: Amendment I

Energy Technology Data Exchange (ETDEWEB)

1990-12-21

This report, entitled Combustion Engineering Standard Safety Analysis Report - Design Certification (CESSAR-DC), has been prepared in support of the industry effort to standardize nuclear plant designs. These documents describe the Combustion Engineering, Inc. System 80+{sup TM} Standard Design. This report, Volume 3, in conjunction with Volume 2, provides the design of structures, components, equipment and systems.

Design-reliability assurance program application to ACP600

International Nuclear Information System (INIS)

Zhichao, Huang; Bo, Zhao

2012-01-01

ACP600 is a newly nuclear power plant technology made by CNNC in China and it is based on the Generation III NPPs design experience and general safety goals. The ACP600 Design Reliability Assurance Program (D-RAP) is implemented as an integral part of the ACP600 design process. A RAP is a formal management system which assures the collection of important characteristic information about plant performance throughout each phase of its life and directs the use of this information in the implementation of analytical and management process which are specifically designed to meet two specific objects: confirm the plant goals and cost effective improvements. In general, typical reliability assurance program have 4 broad functional elements: 1) Goals and performance criteria; 2) Management system and implementing procedures; 3) Analytical tools and investigative methods; and 4) Information management. In this paper we will use the D-RAP technical and Risk-Informed requirements, and establish the RAM and PSA model to optimize the ACP600 design. Compared with previous design process, the D-RAP is more competent for the higher design targets and requirements, enjoying more creativity through an easier implementation of technical breakthroughs. By using D-RAP, the plants goals, system goals, performance criteria and safety criteria can be easier to realize, and the design can be optimized and more rational

Design of an internal dosimetry program

International Nuclear Information System (INIS)

Wu, C.F.; Goff, T.E.

2004-01-01

Measurement of radiation dose is an essential element of radiation protection programs at nuclear facilities. To protect workers and demonstrate compliance with regulatory requirements, dosimetry programs must be established based on sound technical basis. Historically, external exposure was controlled by occupational dose limits. Internal exposure to radionuclides was limited by maximum permissible body burden and maximum permissible concentration. With the issuance of ICRP 26, ICRP 30, DOE Order 5480.11, DOE/EH-0256T, and the new 10 CFR 20, it has become a requirement that internal dose be assessed and the sum of internal and external doses be maintained below regulatory limits. Nuclear facilities are required to have internal dose evaluation programs adequate to demonstrate compliance with radiation protection standards (RPSs). The Waste Isolation Pilot Plant is a DOE facility designed to demonstrate safe disposal of transuranic (TRU) wastes in an ancient salt bed 2,150 feet underground. Internal dose measurement is required to support waste handling activities. This paper describes the technical basis for the WIPP Internal Dosimetry Program. (author)

Design Minimalism in Robotics Programming

Directory of Open Access Journals (Sweden)

Anthony Cowley

2008-11-01

Full Text Available With the increasing use of general robotic platforms in different application scenarios, modularity and reusability have become key issues in effective robotics programming. In this paper, we present a minimalist approach for designing robot software, in which very simple modules, with well designed interfaces and very little redundancy can be connected through a strongly typed framework to specify and execute different robotics tasks.

Design Minimalism in Robotics Programming

Directory of Open Access Journals (Sweden)

Anthony Cowley

2006-03-01

Full Text Available With the increasing use of general robotic platforms in different application scenarios, modularity and reusability have become key issues in effective robotics programming. In this paper, we present a minimalist approach for designing robot software, in which very simple modules, with well designed interfaces and very little redundancy can be connected through a strongly typed framework to specify and execute different robotics tasks.

Cover Letter Dear Editor, Please find enclosed a paper entitled ...

African Journals Online (AJOL)

Ajamein

Dear Editor,. Please find enclosed a paper entitled ' Intrinsic Kinetics of Fischer- Tropsch Synthesis Over a. Promoted Iron Catalyst '. I am submitting to your journal to be considered for publication as a research paper in Bulletin of the Chemical Society of Ethiopia. The manuscript has not been previously published, is not ...

Metal nanoparticles in liquid phase catalysis; from recent advances to future goals.

Science.gov (United States)

Zahmakıran, Mehmet; Ozkar, Saim

2011-09-01

Metal nanoparticles have attracted much attention over the last decade owing to their unique properties, different to their bulk counterparts, which pave the way for their application in different fields from materials science and engineering to biomedical applications. Of particular interest, the use of metal nanoparticles in catalysis has brought superior efficiency in terms of activity, selectivity and lifetime to heterogeneous catalysis. This article reviews the recent developments in the synthesis routes and the catalytic performance of metal nanoparticles depending on the solvent used for various organic and inorganic transformations. Additionally, we also discuss the prevalent complications and their possible solutions plus future prospects in the field of nanocatalysis.

Computational design gains momentum in enzyme catalysis engineering

NARCIS (Netherlands)

Wijma, Hein J.; Janssen, Dick B.

Computational protein design is becoming a powerful tool for tailoring enzymes for specific biotechnological applications. When applied to existing enzymes, computational re-design makes it possible to obtain orders of magnitude improvement in catalytic activity towards a new target substrate.

Supported Ionic Liquid Phase (SILP) Catalysis for the Production of Acetic acid by Methanol Carbonylation

DEFF Research Database (Denmark)

Hanning, Christopher William

at the beginning with the construction of a suitable test reactor, then followed by the synthesis and testing of all the catalysts reported. A variety of nitrogen based ionic liquids were initially tested, giving good results and stability in the system. Later a number of phosphonium based salts were tested (these......The work presented here is focused on the development of a new reaction process. It applies Supported Ionic Liquid Phase (SILP) catalysis to a specific reaction. By reacting methanol and carbon monoxide over a rhodium catalyst, acetic acid can be formed. This reaction is important on a large scale...... were no longer classified as ionic liquids due to melting points above 100◦C). The phosphonium salts showed even better activity in the system compared to the ionic liquids. Overall the work has shown that this process for the manufacture of acetic acid is viable industrially. This is backed up...

Sodium sulfur electric vehicle battery engineering program final report, September 2, 1986--June 15, 1993

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-06-01

In September 1986 a contract was signed between Chloride Silent Power Limited (CSPL) and Sandia National Laboratories (SNL) entitled ``Sodium Sulfur Electric Vehicle Battery Engineering Program``. The aim of the cost shared program was to advance the state of the art of sodium sulfur batteries for electric vehicle propulsion. Initially, the work statement was non-specific in regard to the vehicle to be used as the design and test platform. Under a separate contract with the DOE, Ford Motor Company was designing an advanced electric vehicle drive system. This program, called the ETX II, used a modified Aerostar van for its platform. In 1987, the ETX II vehicle was adopted for the purposes of this contract. This report details the development and testing of a series of battery designs and concepts which led to the testing, in the US, of three substantial battery deliverables.

Entitlement Can Both Decrease and Increase Consumer Susceptibility to Social Influence

NARCIS (Netherlands)

van der Heide, Martine; Fennis, Bob; van Ittersum, Koert; Trampe, Debra; Diehl, Kristin; Yoon, Carolyn

2015-01-01

Two studies indicate that entitlement—a sense that one deserves special treatment and is exempt from normal social demands—can both buffer and boost consumers’ proneness to social influence. Specifically, Study 1 shows that entitlement reduces susceptibility to consistency appeals. Study 2, however,

Laue diffraction as a tool in dynamic studies: Hydrolysis of a transiently stable intermediate in catalysis by trypsin

Energy Technology Data Exchange (ETDEWEB)

Singer, P.T.; Berman, L.E.; Cai, Z.; Mangel, W.F.; Jones, K.W.; Sweet, R.M. (Brookhaven National Lab., Upton, NY (United States)); Carty, R.P. (State Univ. of New York, Brooklyn, NY (United States). Dept. of Biochemistry); Schlichting, I. (Brandeis Univ., Waltham, MA (United States). Rosenstiel Basic Medical Science Center); Stock, A. (Center for Advanced Biotechnology and Medicine, Piscataway, NJ (Un

1992-01-01

A transiently stable intermediate in trypsin catalysis, guanidinobenzyol-Ser-195 trypsin, can be trapped and then released by control of the pH in crystals of the enzyme. This effect has been investigated by static and dynamic white-beam Laue crystallography. Comparison of structures determined before and immediately after a pH jump reveals the nature of concerted changes that accompany activation of the enzyme. Careful analysis of the results of several structure determinations gives information about the reliability of Laue results in general. A study of multiple exposures taken under differing conditions of beam intensity, crystal quality, and temperature revealed information about ways to control damage of specimens by the x-ray beam.

Laue diffraction as a tool in dynamic studies: Hydrolysis of a transiently stable intermediate in catalysis by trypsin

Energy Technology Data Exchange (ETDEWEB)

Singer, P.T.; Berman, L.E.; Cai, Z.; Mangel, W.F.; Jones, K.W.; Sweet, R.M. [Brookhaven National Lab., Upton, NY (United States); Carty, R.P. [State Univ. of New York, Brooklyn, NY (United States). Dept. of Biochemistry; Schlichting, I. [Brandeis Univ., Waltham, MA (United States). Rosenstiel Basic Medical Science Center; Stock, A. [Center for Advanced Biotechnology and Medicine, Piscataway, NJ (United States); Smalas, A. [Univ. of Tromso (Norway). Inst. of Mathematics and Physical Science

1992-11-01

A transiently stable intermediate in trypsin catalysis, guanidinobenzyol-Ser-195 trypsin, can be trapped and then released by control of the pH in crystals of the enzyme. This effect has been investigated by static and dynamic white-beam Laue crystallography. Comparison of structures determined before and immediately after a pH jump reveals the nature of concerted changes that accompany activation of the enzyme. Careful analysis of the results of several structure determinations gives information about the reliability of Laue results in general. A study of multiple exposures taken under differing conditions of beam intensity, crystal quality, and temperature revealed information about ways to control damage of specimens by the x-ray beam.

Laue diffraction as a tool in dynamic studies: Hydrolysis of a transiently stable intermediate in catalysis by trypsin

International Nuclear Information System (INIS)

Singer, P.T.; Berman, L.E.; Cai, Z.; Mangel, W.F.; Jones, K.W.; Sweet, R.M.; Carty, R.P.; Smalas, A.

1992-01-01

A transiently stable intermediate in trypsin catalysis, guanidinobenzyol-Ser-195 trypsin, can be trapped and then released by control of the pH in crystals of the enzyme. This effect has been investigated by static and dynamic white-beam Laue crystallography. Comparison of structures determined before and immediately after a pH jump reveals the nature of concerted changes that accompany activation of the enzyme. Careful analysis of the results of several structure determinations gives information about the reliability of Laue results in general. A study of multiple exposures taken under differing conditions of beam intensity, crystal quality, and temperature revealed information about ways to control damage of specimens by the x-ray beam

National Health Service Principles as Experienced by Vulnerable London Migrants in “Austerity Britain”: A Qualitative Study of Rights, Entitlements, and Civil-Society Advocacy

Directory of Open Access Journals (Sweden)

Elham Rafighi

2016-10-01

Full Text Available Background: Recent British National Health Service (NHS reforms, in response to austerity and alleged ‘health tourism,’ could impose additional barriers to healthcare access for non-European Economic Area (EEA migrants. This study explores policy reform challenges and implications, using excerpts from the perspectives of non-EEA migrants and health advocates in London. Methods: A qualitative study design was selected. Data were collected through document review and 22 indepth interviews with non-EEA migrants and civil-society organisation representatives. Data were analysed thematically using the NHS principles. Results: The experiences of those ‘vulnerable migrants’ (ie, defined as adult non-EEA asylum-seekers, refugees, undocumented, low-skilled, and trafficked migrants susceptible to marginalised healthcare access able to access health services were positive, with healthcare professionals generally demonstrating caring attitudes. However, general confusion existed about entitlements due to recent NHS changes, controversy over ‘health tourism,’ and challenges registering for health services or accessing secondary facilities. Factors requiring greater clarity or improvement included accessibility, communication, and clarity on general practitioner (GP responsibilities and migrant entitlements. Conclusion: Legislation to restrict access to healthcare based on immigration status could further compromise the health of vulnerable individuals in Britain. This study highlights current challenges in health services policy and practice and the role of non-governmental organizations (NGOs in healthcare advocacy (eg, helping the voices of the most vulnerable reach policy-makers. Thus, it contributes to broadening national discussions and enabling more nuanced interpretation of ongoing global debates on immigration and health.

Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis

Science.gov (United States)

Gherib, Rami; Dokainish, Hisham M.; Gauld, James W.

2014-01-01

Elucidating the origin of enzymatic catalysis stands as one the great challenges of contemporary biochemistry and biophysics. The recent emergence of computational enzymology has enhanced our atomistic-level description of biocatalysis as well the kinetic and thermodynamic properties of their mechanisms. There exists a diversity of computational methods allowing the investigation of specific enzymatic properties. Small or large density functional theory models allow the comparison of a plethora of mechanistic reactive species and divergent catalytic pathways. Molecular docking can model different substrate conformations embedded within enzyme active sites and determine those with optimal binding affinities. Molecular dynamics simulations provide insights into the dynamics and roles of active site components as well as the interactions between substrate and enzymes. Hybrid quantum mechanical/molecular mechanical (QM/MM) can model reactions in active sites while considering steric and electrostatic contributions provided by the surrounding environment. Using previous studies done within our group, on OvoA, EgtB, ThrRS, LuxS and MsrA enzymatic systems, we will review how these methods can be used either independently or cooperatively to get insights into enzymatic catalysis. PMID:24384841

Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis

Directory of Open Access Journals (Sweden)

Rami Gherib

2013-12-01

Full Text Available Elucidating the origin of enzymatic catalysis stands as one the great challenges of contemporary biochemistry and biophysics. The recent emergence of computational enzymology has enhanced our atomistic-level description of biocatalysis as well the kinetic and thermodynamic properties of their mechanisms. There exists a diversity of computational methods allowing the investigation of specific enzymatic properties. Small or large density functional theory models allow the comparison of a plethora of mechanistic reactive species and divergent catalytic pathways. Molecular docking can model different substrate conformations embedded within enzyme active sites and determine those with optimal binding affinities. Molecular dynamics simulations provide insights into the dynamics and roles of active site components as well as the interactions between substrate and enzymes. Hybrid quantum mechanical/molecular mechanical (QM/MM can model reactions in active sites while considering steric and electrostatic contributions provided by the surrounding environment. Using previous studies done within our group, on OvoA, EgtB, ThrRS, LuxS and MsrA enzymatic systems, we will review how these methods can be used either independently or cooperatively to get insights into enzymatic catalysis.

A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis.

Science.gov (United States)

Huang, Kai-Fa; Wang, Yu-Ruei; Chang, En-Cheng; Chou, Tsung-Lin; Wang, Andrew H-J

2008-04-01

QCs (glutaminyl cyclases; glutaminyl-peptide cyclotransferases, EC 2.3.2.5) catalyse N-terminal pyroglutamate formation in numerous bioactive peptides and proteins. The enzymes were reported to be involved in several pathological conditions such as amyloidotic disease, osteoporosis, rheumatoid arthritis and melanoma. The crystal structure of human QC revealed an unusual H-bond (hydrogen-bond) network in the active site, formed by several highly conserved residues (Ser(160), Glu(201), Asp(248), Asp(305) and His(319)), within which Glu(201) and Asp(248) were found to bind to substrate. In the present study we combined steady-state enzyme kinetic and X-ray structural analyses of 11 single-mutation human QCs to investigate the roles of the H-bond network in catalysis. Our results showed that disrupting one or both of the central H-bonds, i.e., Glu(201)...Asp(305) and Asp(248)...Asp(305), reduced the steady-state catalysis dramatically. The roles of these two COOH...COOH bonds on catalysis could be partly replaced by COOH...water bonds, but not by COOH...CONH(2) bonds, reminiscent of the low-barrier Asp...Asp H-bond in the active site of pepsin-like aspartic peptidases. Mutations on Asp(305), a residue located at the centre of the H-bond network, raised the K(m) value of the enzyme by 4.4-19-fold, but decreased the k(cat) value by 79-2842-fold, indicating that Asp(305) primarily plays a catalytic role. In addition, results from mutational studies on Ser(160) and His(319) suggest that these two residues might help to stabilize the conformations of Asp(248) and Asp(305) respectively. These data allow us to propose an essential proton transfer between Glu(201), Asp(305) and Asp(248) during the catalysis by animal QCs.

Feed-pump hydraulic performance and design improvement, Phase I: research program design. Final report

Energy Technology Data Exchange (ETDEWEB)

Brown, W.H.; Gopalakrishnan, S.; Fehlau, R.; Thompson, W.E.; Wilson, D.G.

1982-03-01

As a result of prior EPRI-sponsored studies, it was concluded that a research program should be designed and implemented to provide an improved basis for the design, procurement, testing, and operation of large feed pumps with increased reliability and stability over the full range of operating conditions. This two-volume report contains a research plan which is based on a review of the present state of the art and which defines the necessary R and D program and estimates the benefits and costs of the program. The recommended research program consists of 30 interrelated tasks. It is designed to perform the needed research; to verify the results; to develop improved components; and to publish computer-aided design methods, pump specification guidelines, and a troubleshooting manual. Most of the technology proposed in the research plan is applicable to nuclear power plants as well as to fossil-fired plants. This volume discusses the design, performance and failures of feed pumps, and recommendations for research on pump dynamics, design, and specifications.

NRC Seismic Design Margins Program Plan

International Nuclear Information System (INIS)

Cummings, G.E.; Johnson, J.J.; Budnitz, R.J.

1985-08-01

Recent studies estimate that seismically induced core melt comes mainly from earthquakes in the peak ground acceleration range from 2 to 4 times the safe shutdown earthquake (SSE) acceleration used in plant design. However, from the licensing perspective of the US Nuclear Regulatory Commission, there is a continuing need for consideration of the inherent quantitative seismic margins because of, among other things, the changing perceptions of the seismic hazard. This paper discusses a Seismic Design Margins Program Plan, developed under the auspices of the US NRC, that provides the technical basis for assessing the significance of design margins in terms of overall plant safety. The Plan will also identify potential weaknesses that might have to be addressed, and will recommend technical methods for assessing margins at existing plants. For the purposes of this program, a general definition of seismic design margin is expressed in terms of how much larger that the design basis earthquake an earthquake must be to compromise plant safety. In this context, margin needs to be determined at the plant, system/function, structure, and component levels. 14 refs., 1 fig

Highly Efficient Cooperative Catalysis by Co ^III (Porphyrin) Pairs in Interpenetrating Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Lin, Zekai; Zhang, Zhi-Ming; Chen, Yu-Sheng; Lin, Wenbin (UC); (Xiamen)

2016-12-02

A series of porous twofold interpenetrated In-Co^III(porphyrin) metal–organic frameworks (MOFs) were constructed by in situ metalation of porphyrin bridging ligands and used as efficient cooperative catalysts for the hydration of terminal alkynes. The twofold interpenetrating structure brings adjacent Co^III(porphyrins) in the two networks parallel to each other with a distance of about 8.8 Å, an ideal distance for the simultaneous activation of both substrates in alkyne hydration reactions. As a result, the In-Co^III(porphyrin) MOFs exhibit much higher (up to 38 times) catalytic activity than either homogeneous catalysts or MOF controls with isolated Co^III(porphyrin) centers, thus highlighting the potential application of MOFs in cooperative catalysis.

Mississippi Curriculum Framework for Drafting and Design Technology (Program CIP: 48.0102--Architectural Drafting Technology) (Program CIP: 48.0101--General Drafting). Postsecondary Programs.

Science.gov (United States)

Mississippi Research and Curriculum Unit for Vocational and Technical Education, State College.

This document, which is intended for use by community and junior colleges throughout Mississippi, contains curriculum frameworks for the two course sequences of the state's postsecondary-level drafting and design technology program: architectural drafting technology and drafting and design technology. Presented first are a program description and…

Very Low-Cost Nutritious Diet Plans Designed by Linear Programming.

Science.gov (United States)

Foytik, Jerry

1981-01-01

Provides procedural details of Linear Programing, developed by the U.S. Department of Agriculture to devise a dietary guide for consumers that minimizes food costs without sacrificing nutritional quality. Compares Linear Programming with the Thrifty Food Plan, which has been a basis for allocating coupons under the Food Stamp Program. (CS)

12 CFR 987.4 - Creation of Participant's Security Entitlement; security interests.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 7 2010-01-01 2010-01-01 false Creation of Participant's Security Entitlement... BOOK-ENTRY PROCEDURE FOR CONSOLIDATED OBLIGATIONS § 987.4 Creation of Participant's Security... of the United States to secure deposits of public money, including, without limitation, deposits to...

38 CFR 3.274 - Relationship of net worth to pension entitlement.

Science.gov (United States)

2010-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Relationship of net worth to pension entitlement. 3.274 Section 3.274 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS ADJUDICATION Pension, Compensation, and Dependency and Indemnity Compensation Regulations...

Electrochemiluminescence of luminol enhanced by the synergetic catalysis of hemin and silver nanoparticles for sensitive protein detection.

Science.gov (United States)

Jiang, Xinya; Chai, Yaqin; Wang, Haijun; Yuan, Ruo

2014-04-15

A novel and ultrasensitive electrochemiluminescence (ECL) immunosensor, which was based on the amplifying ECL of luminol by hemin-reduced graphene oxide (hemin-rGO) and Ag nanoparticles (AgNPs) decorated reduced graphene oxide (Ag-rGO), was constructed for the detection of carcinoembryonic antigen (CEA). For this proposed sandwich-type ECL immunosensor, Au nanoparticles electrodeposited (DpAu) onto hemin-rGO (DpAu/hemin-rGO) constructed the base of the immunosensor. DpAu had outstanding electrical conductivity to promote the electron transfer at the electrode interface and had good biocompatibility to load large amounts of primary antibody (Ab1), which provided an excellent platform for this immunosensor. Moreover, AgNPs and glucose oxidase (GOD) functionalized graphene labeled secondary antibody (Ag-rGO-Ab2-GOD) was designed as the signal probe for the sandwiched immunosensor. Not only did the hemin-rGO improve the electron transfer of the electrode surface, but hemin also further amplified the ECL signal of luminol in the presence of hydrogen peroxide (H2O2). With the aid of Ag-rGO-Ab2-GOD, enhanced signal was obtained by in situ generation of H2O2 and catalysis of AgNPs to ECL reaction of the luminol-H2O2 system. The as-prepared ECL immunosensor exhibited excellent analytical property for the detection of CEA in the range from 0.1 pg mL(-1) to 160 ng mL(-1) with a detection limit of 0.03 pg mL(-1) (SN(-1)=3). © 2013 Published by Elsevier B.V.

Research Suggestions in the Design of a Global Graduate Business Program Delivered by Online Learning

Science.gov (United States)

Puderbaugh, Amy

2015-01-01

The purpose of this paper was to examine the unique areas of concern when establishing an eLearning program in the field of global business. A survey of eLearning and a global management subject matter appears. This paper identifies potential challenges in program design and raises practical concerns for future research. [For the full proceedings,…

Insights into reaction mechanisms in heterogeneous catalysis revealed by in situ NMR spectroscopy.

Science.gov (United States)

Blasco, Teresa

2010-12-01

This tutorial review intends to show the possibilities of in situ solid state NMR spectroscopy in the elucidation of reaction mechanisms and the nature of the active sites in heterogeneous catalysis. After a brief overview of the more usual experimental devices used for in situ solid state NMR spectroscopy measurements, some examples of applications taken from the recent literature will be presented. It will be shown that in situ NMR spectroscopy allows: (i) the identification of stable intermediates and transient species using indirect methods, (ii) to prove shape selectivity in zeolites, (iii) the study of reaction kinetics, and (iv) the determination of the nature and the role played by the active sites in a catalytic reaction. The approaches and methodology used to get this information will be illustrated here summarizing the most relevant contributions on the investigation of the mechanisms of a series of reactions of industrial interest: aromatization of alkanes on bifunctional catalysts, carbonylation reaction of methanol with carbon monoxide, ethylbenzene disproportionation, and the Beckmann rearrangement reaction. Special attention is paid to the research carried out on the role played by carbenium ions and alkoxy as intermediate species in the transformation of hydrocarbon molecules on solid acid catalysts.

Design and validation of general biology learning program based on scientific inquiry skills

Science.gov (United States)

Cahyani, R.; Mardiana, D.; Noviantoro, N.

2018-03-01

Scientific inquiry is highly recommended to teach science. The reality in the schools and colleges is that many educators still have not implemented inquiry learning because of their lack of understanding. The study aims to1) analyze students’ difficulties in learning General Biology, 2) design General Biology learning program based on multimedia-assisted scientific inquiry learning, and 3) validate the proposed design. The method used was Research and Development. The subjects of the study were 27 pre-service students of general elementary school/Islamic elementary schools. The workflow of program design includes identifying learning difficulties of General Biology, designing course programs, and designing instruments and assessment rubrics. The program design is made for four lecture sessions. Validation of all learning tools were performed by expert judge. The results showed that: 1) there are some problems identified in General Biology lectures; 2) the designed products include learning programs, multimedia characteristics, worksheet characteristics, and, scientific attitudes; and 3) expert validation shows that all program designs are valid and can be used with minor revisions. The first section in your paper.

Catalysis by Design: Well-Defined Single-Site Heterogeneous Catalysts

KAUST Repository

Pelletier, Jeremie; Basset, Jean-Marie

2016-01-01

concepts and tools of surface organometallic chemistry (SOMC). This approach operates by reacting organometallic compounds with surfaces of highly divided oxides (or of metal nanoparticles). This strategy has a solid track record to reveal structure

Planar, Polysilazane?Derived Porous Ceramic Supports for Membrane and Catalysis Applications

OpenAIRE

Konegger, Thomas; Williams, Lee F.; Bordia, Rajendra K.

2015-01-01

Porous, silicon carbonitride?based ceramic support structures for potential membrane and catalysis applications were generated from a preceramic polysilazane precursor in combination with spherical, ultrahigh?molecular weight polyethylene microparticles through a sacrificial filler approach. A screening evaluation was used for the determination of the impact of both porogen content and porogen size on pore structure, strength, and permeability characteristics of planar specimens. By optimizin...

Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis

Science.gov (United States)

Hemberger, Patrick; Custodis, Victoria B. F.; Bodi, Andras; Gerber, Thomas; van Bokhoven, Jeroen A.

2017-06-01

Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes.

Synergy between experimental and theoretical methods in the exploration of homogeneous transition metal catalysis

DEFF Research Database (Denmark)

Lupp, Daniel; Christensen, Niels Johan; Fristrup, Peter

2014-01-01

n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can be complem......n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can...... be complemented by computational chemistry – in particular in cases where interpretation of the experimental results is not straightforward. The good correspondence between experiment and theory is only possible due to recent advances within the applied theoretical framework. We therefore also highlight...

Two-dimensional zeolites in catalysis: current status and perspectives

Czech Academy of Sciences Publication Activity Database

Opanasenko, Maksym; Roth, Wieslaw Jerzy; Čejka, Jiří

2016-01-01

Roč. 6, č. 8 (2016), s. 2467-2484 ISSN 2044-4753 R&D Projects: GA ČR GP13-17593P; GA ČR(CZ) GAP106/12/0189 Institutional support: RVO:61388955 Keywords : mesoporous molecular sieves * catalysis * acylation reactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.773, year: 2016

Data collected by the R/V Gyre in the Gulf of Mexico to support the Stability and Change in the Gulf of Mexico Chemosynthetic Communities Program, 1996 - 2002 (NODC Accession 0000788)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — A multidisciplinary team of marine scientists has completed a program entitled Stability and Change in Gulf of Mexico Chemosynthetic Communities. The program was...

Program computes single-point failures in critical system designs

Science.gov (United States)

Brown, W. R.

1967-01-01

Computer program analyzes the designs of critical systems that will either prove the design is free of single-point failures or detect each member of the population of single-point failures inherent in a system design. This program should find application in the checkout of redundant circuits and digital systems.