WorldWideScience

Sample records for beginning catalysis research

  1. Without Spectroscopy at the Beginning, Catalysis Research Proceeded in the Wrong Direction for More Than 100 Years

    OpenAIRE

    Gardner-Chavis, Ralph A.; Reye, John T.; Selover Jr, Theodore B.; Zhang, Huixiong

    2008-01-01

    A study by infrared spectroscopy of the physisorbed region of catalysis demonstrated that the intermediates of catalysis exist on the surface as a two dimensional gas. Data in the Atomic Energy Level tables show that of the thousands of positive ions tabulated only approximately one hundred have the low-lying excited states that produce surface electric fields with a fractional charge. The specific catalyst for a reaction has the electric field with the fractional charge which when imparted t...

  2. Without Spectroscopy at the Beginning, Catalysis Research Proceeded in the Wrong Direction for More Than 100 Years

    CERN Document Server

    Gardner-Chavis, Ralph A; Selover, Theodore B; Zhang, Huixiong

    2008-01-01

    A study by infrared spectroscopy of the physisorbed region of catalysis demonstrated that the intermediates of catalysis exist on the surface as a two dimensional gas. Data in the Atomic Energy Level tables show that of the thousands of positive ions tabulated only approximately one hundred have the low-lying excited states that produce surface electric fields with a fractional charge. The specific catalyst for a reaction has the electric field with the fractional charge which when imparted to the two reactants changes the frequency of the fields at the sites of reaction on each so that they are harmonically equal, that is their ratio is a power of two. When the two reactants meet in the electric field of the catalyst resonance occurs. It is during resonance that electrons are shared, paired and exchanged and bonds are broken and made. This analysis of catalysis explains the most extraordinary observation that a catalyst is Not consumed when used because the catalyst is the electric fields. These discoveries ...

  3. CAS Researcher Wins International Catalysis Award

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    @@ Prof. Li Can, a CAS member and director of the State Key Laboratory of Catalysis at the CAS Dalian Institute of Chemical Physics, received the International Catalysis Award at the 13th International Catalysis Congress (ICC)held from July 11 to 16 in Paris.

  4. Advanced Resources for Catalysis Science; Recommendations for a National Catalysis Research Institute

    Energy Technology Data Exchange (ETDEWEB)

    Peden, Charles HF.; Ray, Douglas

    2005-10-05

    Catalysis is one of the most valuable contributors to our economy and historically an area where the United States has enjoyed, but is now losing, international leadership. While other countries are stepping up their work in this area, support for advanced catalysis research and development in the U.S. has diminished. Yet, more than ever, innovative and improved catalyst technologies are imperative for new energy production processes to ease our dependence on imported resources, for new energy-efficient and environmentally benign chemical production processes, and for new emission reduction technologies to minimize the environmental impact of an active and growing economy. Addressing growing concerns about the future direction of U.S. catalysis science, experts from the catalysis community met at a workshop to determine and recommend advanced resources needed to address the grand challenges for catalysis research and development. The workshop's primary conclusion: To recapture our position as the leader in catalysis innovation and practice, and promote crucial breakthroughs, the U.S. must establish one or more well-funded and well-equipped National Catalysis Research Institutes competitively selected, centered in the national laboratories and, by charter, networked to other national laboratories, universities, and industry. The Institute(s) will be the center of a national collaboratory that gives catalysis researchers access to the most advanced techniques available in the scientific enterprise. The importance of catalysis to our energy, economic, and environmental security cannot be overemphasized. Catalysis is a vital part of our core industrial infrastructure, as it is integral to chemical processing and petroleum refining, and is critical to proposed advances needed to secure a sustainable energy future. Advances in catalysis could reduce our need for foreign oil by making better use of domestic carbon resources, for example, allowing cost-effective and

  5. 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.

  6. 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.

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

    International Nuclear Information System (INIS)

    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

  8. 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)

  9. Beginnings

    OpenAIRE

    Schmitt, Casey Tyler

    1999-01-01

    abstractThis book is a beginning. It begins to explore three conditions. First is the idea of the boundary - not simply the boundary as something that fixes limits, but as something that defines the spatial qualities of architecture. For example, a space that has four opaque walls, a dark floor and a heavy ceiling will feel like a closed cell. But what if the ceiling doesn't quite complete the boundary of the box, and instead it pulls away from the walls to let in traces of daylight. T...

  10. Beginnings

    DEFF Research Database (Denmark)

    Rehfeld, Jens F

    2012-01-01

    The gut is the largest endocrine organ in the body. Gut hormones share some characteristics: Their structure groups hormones into families, each of which originate from a single gene. A hormone gene is often expressed in multiple peptides due to tandem genes, alternative splicing or differentiated...... posttranslational processing. By these mechanisms, more than 100 different hormonally active peptides are produced in the gastrointestinal tract. In addition, gut hormones are widely expressed outside the gut. The different cell types often express different products of the same gene and release the peptides in...... history of gastrointestinal endocrinology from classic studies of digestive juice secretion over peptide chemistry, immunochemistry, and molecular genetics to modern receptor pharmacology and drug development. From shadowy beginnings, gastrointestinal endocrinology has emerged as a central discipline in...

  11. Challenges Confronting Beginning Researchers in Conducting Literature Reviews

    Science.gov (United States)

    Chen, Der-Thanq; Wang, Yu-Mei; Lee, Wei Ching

    2016-01-01

    Conducting literature review is a complicated, sometimes confusing and laborious process that beginning educational researchers, especially graduate students, often find challenging. However, in the past these challenges were hardly considered, but in more recent times they have been increasingly considered by various faculties and graduate…

  12. EPR spectroscopy as a tool in homogeneous catalysis research

    OpenAIRE

    Goswami, M.; Chirila, A.; Rebreyend, C.; Bruin,, Henk

    2015-01-01

    In the context of homogeneous catalysis, open-shell systems are often quite challenging to characterize. Nuclear magnetic resonance (NMR) spectroscopy is the most frequently applied tool to characterize organometallic compounds, but NMR spectra are usually broad, difficult to interpret and often futile for the study of paramagnetic compounds. As such, electron paramagnetic resonance (EPR) has proven itself as a useful spectroscopic technique to characterize paramagnetic complexes and reactive...

  13. The Power of High-Throughput Experimentation in Homogeneous Catalysis Research for Fine Chemicals

    NARCIS (Netherlands)

    Vries, Johannes G. de; Vries, André H.M. de

    2003-01-01

    The use of high-throughput experimentation (HTE) in homogeneous catalysis research for the production of fine chemicals is an important breakthrough. Whereas in the past stoichiometric chemistry was often preferred because of time-to-market constraints, HTE allows catalytic solutions to be found wit

  14. The applications of Mössbauer Spectroscopy in heterogeneous catalysis research

    OpenAIRE

    Bussière, P.

    1981-01-01

    The importance of Mössbauer Spectroscopy in heterogeneous catalysis research is increasing, since more and more catalysts are complex finely dispersed solids, sufficient characterization cannot be achieved easily with more conventional methods. After summarizing the special features of Mössbauer Spectroscopy of solid catalysts, we show and discuss some examples of its use in identifying catalytically active phases, in studying adsorption phenomena, and reaction mechanisms. Questions that rema...

  15. 'Getting Started': beginning the postgraduate research journey [poster

    OpenAIRE

    Watling, Sue

    2011-01-01

    If the postgraduate research experience is to be successful, attention to transition from undergraduate to postgraduate education may be worth consideration. Research shows many first year students who withdraw cite lack of preparation for study (Yorke and Longden, 2008). At Lincoln, experience of supporting students new to higher education through the Getting Started project shows pre-enrolment access to preparatory materials can ease the transition process and support the early development ...

  16. 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

  17. Advances in catalysis

    CERN Document Server

    Jentoft, Friederike C

    2014-01-01

    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 is invaluable to chemical engineers and chemists working in the field of catalysis in academia or industry. Authoritative reviews written by experts in the field. Topics selected to reflect progress of the field. Insightful and critical articles, fully edite

  18. Noncontact Atomic Force Microscopy: An Emerging Tool for Fundamental Catalysis Research.

    Science.gov (United States)

    Altman, Eric I; Baykara, Mehmet Z; Schwarz, Udo D

    2015-09-15

    Although atomic force microscopy (AFM) was rapidly adopted as a routine surface imaging apparatus after its introduction in 1986, it has not been widely used in catalysis research. The reason is that common AFM operating modes do not provide the atomic resolution required to follow catalytic processes; rather the more complex noncontact (NC) mode is needed. Thus, scanning tunneling microscopy has been the principal tool for atomic scale catalysis research. In this Account, recent developments in NC-AFM will be presented that offer significant advantages for gaining a complete atomic level view of catalysis. The main advantage of NC-AFM is that the image contrast is due to the very short-range chemical forces that are of interest in catalysis. This motivated our development of 3D-AFM, a method that yields quantitative atomic resolution images of the potential energy surfaces that govern how molecules approach, stick, diffuse, and rebound from surfaces. A variation of 3D-AFM allows the determination of forces required to push atoms and molecules on surfaces, from which diffusion barriers and variations in adsorption strength may be obtained. Pushing molecules towards each other provides access to intermolecular interaction between reaction partners. Following reaction, NC-AFM with CO-terminated tips yields textbook images of intramolecular structure that can be used to identify reaction intermediates and products. Because NC-AFM and STM contrast mechanisms are distinct, combining the two methods can produce unique insight. It is demonstrated for surface-oxidized Cu(100) that simultaneous 3D-AFM/STM yields resolution of both the Cu and O atoms. Moreover, atomic defects in the Cu sublattice lead to variations in the reactivity of the neighboring O atoms. It is shown that NC-AFM also allows a straightforward imaging of work function variations which has been used to identify defect charge states on catalytic surfaces and to map charge transfer within an individual

  19. Supramolecular catalysis: Refocusing catalysis

    NARCIS (Netherlands)

    P.W.N.M. van Leeuwen; Z. Freixa

    2008-01-01

    This chapter contains sections titled: * Introduction: A Brief Personal History * Secondary Phosphines or Phosphites as Supramolecular Ligands * Host-Guest Catalysis * Ionic Interactions as a Means to Form Heterobidentate Assembly Ligands * Ditopic Ligands for the Construction of Bidentate Phosphine

  20. NATO Advanced Research Workshop on Frontiers in Polymerization Catalysis and Polymer Synthesis

    CERN Document Server

    Guyot, A

    1987-01-01

    Due to their specific properties, polymers with well-defined structures have been receiving increasing attention over the last several years. Owing to the wide variability of their properties, these specialty polymers have been used in various areas from biomedical engineering to electronics or energy applications. The synthesis of such polymers necessi­ tates the use of new methods of polymerization which derived from an insight into the mechanism of polymerization reactions. A NATO Advanced Research Workshop on "Frontiers in Polymerization Catalysis and Polymer Synthesis" was held in BANDOl (FRANCE) in February 1987. Its aim was to assess the new polymerization methods, as well as the latest advances in the mechanisms of conventional polymerization reactions together with their applications to the synthesis of new macromolecular structures. The financial support from the NATO Scientific Affairs Division which covered the "lecturers' accomodation and travel expenses as well as the organization charges of th...

  1. Tacit Information Literacies in Beginning College Students: Research Pedagogy in Geography

    Science.gov (United States)

    Bauch, Nicholas; Sheldon, Christina

    2014-01-01

    Whereas instruction on how to conduct original research can build on beginning college students' tacit information literacies, the explicit articulation of existing processes for information gathering is rarely elicited by instructors prior to students' submission of a final research paper. In this essay, authors Nicholas Bauch and…

  2. El inicio de las investigaciones psicopatológicas/The beginning of the psychopathological researches

    Directory of Open Access Journals (Sweden)

    Arturo Arrona Palacios

    2012-01-01

    Full Text Available Psychopathology is responsible for the study and analysis of deviant behaviour, it can only be called psychopathological what manages to upset the psychopathological functioning. The demonologic concept is the most primitive form of understanding abnormal behavior. It is to the brain as a principal organ of the intellectual life. The psychopathological study has been making inroads since the beginnings of the structuring of the society to research in psychopathology, who came to bring a new panorama of studies.

  3. 26 CFR 1.41-5A - Basic research for taxable years beginning before January 1, 1987.

    Science.gov (United States)

    2010-04-01

    ... TREASURY INCOME TAX INCOME TAXES Credits Against Tax § 1.41-5A Basic research for taxable years beginning before January 1, 1987. (a) In general. The amount expended for basic research within the meaning of... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Basic research for taxable years beginning...

  4. Heterogeneous Catalysis.

    Science.gov (United States)

    Miranda, R.

    1989-01-01

    Described is a heterogeneous catalysis course which has elements of materials processing embedded in the classical format of catalytic mechanisms and surface chemistry. A course outline and list of examples of recent review papers written by students are provided. (MVL)

  5. Entering Research: A course that creates community and structure for beginning undergraduate researchers in the STEM disciplines

    Science.gov (United States)

    Balster, N.

    2009-12-01

    The benefits of undergraduate research are well documented such that these experiences have been incorporated into many school curricula. However, students still face many challenges (e.g. community establishment, identifying a mentor) when beginning research or are insufficiently supported to be successful in them. To help students overcome these challenges, we developed a novel course, called Entering Research, which helps undergraduates navigate the research experience and provides a supportive community of peers and experienced researchers as course facilitators. Following a teaching as research model, we studied the impact of this course over the three years it has been offered (2006-09). To date, 83 students who completed the course were given a pre and post assessment of learning gains (77% response). These students were also asked to answer a series of questions related to confidence, skills, and knowledge at course end, which we also compared to a group of similar students (n=92) who did not take the course, but were engaged in undergraduate research (63% response). Overall, we found that students value the Entering Research course, as they rated all of the topics covered in the seminar as helpful to their learning. Learning about research ethics and developing a research proposal were rated as most helpful, while web-based discussions and visiting peer laboratories were ranked lowest among the 20 survey questions. Relative to the post assessments, when aggregated by category, confidence, skill, and knowledge all significantly increased: knowledge at 22%, followed by skills (13%), and confidence (10%). All but two areas of confidence were self-rated as significant gains (pbiology or physical sciences coursework (p<0.01). The Entering Research students self-reported greater skill in developing a research project, conducting a research project, and analyzing data (p<0.05). There were similar significant gains in knowledge. Importantly, almost a third of the

  6. The Era of International Space Station Utilization Begins: Research Strategy, International Collaboration, and Realized Potential

    Science.gov (United States)

    Thumm, Tracy; Robinson, Julie A.; Ruttley, Tara; Johnson-Green, Perry; Karabadzhak, George; Nakamura, Tai; Sorokin, Igor V.; Zell, Martin; Jean, Sabbagh

    2010-01-01

    With the assembly of the International Space Station (ISS) nearing completion and the support of a full-time crew of six, a new era of utilization for research is beginning. For more than 15 years, the ISS international partnership has weathered financial, technical and political challenges proving that nations can work together to complete assembly of the largest space vehicle in history. And while the ISS partners can be proud of having completed one of the most ambitious engineering projects ever conceived, the challenge of successfully using the platform remains. During the ISS assembly phase, the potential benefits of space-based research and development were demonstrated; including the advancement of scientific knowledge based on experiments conducted in space, development and testing of new technologies, and derivation of Earth applications from new understanding. The configurability and human-tended capabilities of the ISS provide a unique platform. The international utilization strategy is based on research ranging from physical sciences, biology, medicine, psychology, to Earth observation, human exploration preparation and technology demonstration. The ability to complete follow-on investigations in a period of months allows researchers to make rapid advances based on new knowledge gained from ISS activities. During the utilization phase, the ISS partners are working together to track the objectives, accomplishments, and the applications of the new knowledge gained. This presentation will summarize the consolidated international results of these tracking activities and approaches. Areas of current research on ISS with strong international cooperation will be highlighted including cardiovascular studies, cell and plant biology studies, radiation, physics of matter, and advanced alloys. Scientific knowledge and new technologies derived from research on the ISS will be realized through improving quality of life on Earth and future spaceflight endeavours

  7. Environmental catalysis with zeolites

    Czech Academy of Sciences Publication Activity Database

    Sobalík, Zdeněk

    Kerala: Transworld Research Network, 2008 - (Čejka, J.; Peréz-Pariente, J.; Roth, W.), s. 333-356 ISBN 978-81-7895-330-4 R&D Projects: GA ČR GA104/06/1254 Institutional research plan: CEZ:AV0Z40400503 Keywords : zeolites * catalysis Subject RIV: CF - Physical ; Theoretical Chemistry

  8. Learning to teach science in urban schools by becoming a researcher of one's own beginning practice

    Science.gov (United States)

    Furman, Melina; Calabrese Barton, Angela; Muir, Ben

    2012-03-01

    An urgent goal for science teacher educators is to prepare teachers to teach science in meaningful ways to youth from nondominant backgrounds. This preparation is challenging, for it asks teachers to critically examine how their pedagogical practices might adaptively respond to students and to science. It asks, essentially, for new teachers to become researchers of their own beginning practice. This study explores the story of Ben as he coauthored a transformative action research project in an urban middle school as part of a teacher education program and, later, over his first year of teaching at that same school. We describe how Ben and his partner teacher created innovative spaces for science learning. This offered Ben an opportunity to make some of his deeply engrained pedagogical beliefs come alive within a context of distributed expertise, which provided for him a space of moderate risk where he could afford the chances of failure without undermining how he felt about his own capacity as a teacher. Our study highlights the importance of creating reform opportunities within the context of teacher education programs that may help beginner teachers construct positive images of teaching that they can hold on to in their future practice.

  9. Catalysis in VOC Abatement

    Czech Academy of Sciences Publication Activity Database

    Ojala, S.; Pitkäaho, S.; Laitinen, T.; Koivikko, N.N.; Brahmi, R.; Gaálová, Jana; Matějová, Lenka; Kucherov, A.; Päivärinta, S.; Hirschmann, Ch.

    2011-01-01

    Roč. 54, 16-18 (2011), s. 1224-1256. ISSN 1022-5528. [Nordic Symposium on Catalysis /14./. Marienlyst, Helsingør, 29.08.2010-31.08.2010] Institutional research plan: CEZ:AV0Z40720504 Keywords : voc emissions * voc regulation * effects of VOC's Subject RIV: CC - Organic Chemistry Impact factor: 2.624, year: 2011

  10. 26 CFR 1.41-5 - Basic research for taxable years beginning after December 31, 1986. [Reserved

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Basic research for taxable years beginning after December 31, 1986. 1.41-5 Section 1.41-5 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Credits Against Tax § 1.41-5 Basic research for taxable years...

  11. PACS is only in the Beginning of Being Used as Clinical Research Tools

    Institute of Scientific and Technical Information of China (English)

    H.K. Huang

    2006-01-01

    The PACS concept was introduced in 1982[1],after more than twenty years of technical advancements; it has become an integrated component of today's healthcare delivery system. PACS is now in the beginning of being used as a clinical research tool. [2]Among others, this paper describes four PACS- based research activities: medical imaging informatics, medical imaging Data Grid,combining PACS and teleradiology operations, and computer - assisted detection and diagnosis(CAD).In medical imaging informatics (MⅡ), we first introduce its infrastructure and the five layer of software architecture. The description of a new MⅡ training program supported by the National Institute of Biomedical Imaging and Bioengineering (NIBIB), National institutes of Health (NIH),USA is followed. The training program accepts candidates with medical and/ or biomedical engineering background. The goal is to cross - train multi - disciplinary individuals to be future leaders in the field of medical imaging informatics.Grid computing is a new paradigm combining computing, networking, information and storage technologies to advance the conventional distributing computing to the next level. One resource in Grid Computing is the Data Grid. We describe the use of Data Grid concept in medical imaging applications based on the five layer of the open source Globus toolkit 4 (GT4). Three examples are given.First, a Data Grid specifically designed for PACS image backup and disaster recovery developed at the Imaging and Informatics Laboratory (IPI), USC is illustrated. The second application is for image -based clinical trials using three international sites at IPI, USC, USA; the PACS Lab, Hong Kong Polytechnic University, Hong Kong; and the Heart Institute, Sao Paulo, Brazil.In combining PACS and teleradiology operations, a Data Grid model is proposed to combine two disjoint, and yet, daily used PACS and teleradiology operations as one integrated system in a large - scale enterprise level. Methods of

  12. Beyond relationships between homogeneous and heterogeneous catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David A. [Univ. of Alabama, Tuscaloosa, AL (United States); Katz, Alexander [Univ. of California, Berkeley, CA (United States); Arslan, Ilke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gates, Bruce C. [Univ. of California, Davis, CA (United States)

    2014-08-13

    Scientists who regard catalysis as a coherent field have been striving for decades to articulate the fundamental unifying principles. But because these principles seem to be broader than chemistry, chemical engineering, and materials science combined, catalytic scientists commonly interact within the sub-domains of homogeneous, heterogeneous, and bio-catalysis, and increasingly within even narrower domains such as organocatalysis, phase-transfer catalysis, acid-base catalysis, zeolite catalysis, etc. Attempts to unify catalysis have motivated researchers to find relationships between homogeneous and heterogeneous catalysis and to mimic enzymes. These themes have inspired vibrant international meetings and workshops, and we have benefited from the idea exchanges and have some thoughts about a path forward.

  13. 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.

  14. pClone: Synthetic Biology Tool Makes Promoter Research Accessible to Beginning Biology Students

    Science.gov (United States)

    Campbell, A. Malcolm; Eckdahl, Todd; Cronk, Brian; Andresen, Corinne; Frederick, Paul; Huckuntod, Samantha; Shinneman, Claire; Wacker, Annie; Yuan, Jason

    2014-01-01

    The "Vision and Change" report recommended genuine research experiences for undergraduate biology students. Authentic research improves science education, increases the number of scientifically literate citizens, and encourages students to pursue research. Synthetic biology is well suited for undergraduate research and is a growing area…

  15. pClone: Synthetic Biology Tool Makes Promoter Research Accessible to Beginning Biology Students

    OpenAIRE

    Campbell, A. Malcolm; Eckdahl, Todd; Cronk, Brian; Andresen, Corinne; Frederick, Paul; Huckuntod, Samantha; Shinneman, Claire; Wacker, Annie; Yuan, Jason

    2014-01-01

    The Vision and Change report recommended genuine research experiences for undergraduate biology students. Authentic research improves science education, increases the number of scientifically literate citizens, and encourages students to pursue research. Synthetic biology is well suited for undergraduate research and is a growing area of science. We developed a laboratory module called pClone that empowers students to use advances in molecular cloning methods to discover new promoters for use...

  16. Applications of Electrospray Ionization Mass Spectrometry in Mechanistic Studies and Catalysis Research

    Czech Academy of Sciences Publication Activity Database

    Schröder, Detlef

    2012-01-01

    Roč. 45, č. 9 (2012), s. 1521-1532. ISSN 0001-4842 Grant ostatní: European Research Council(XE) AdG HORIZOMS Institutional support: RVO:61388963 Keywords : cross-coupling reactions * Baylis–Hillman reaction * molecular-dynamics simulations * solution-phase mechanism * gas-phase * infrared-spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 20.833, year: 2012

  17. 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...... Technology in Sustainable Energy and Environment, held in Tianjin, China during October8–10, 2014. This biennial symposium offers an international forum for discussing and sharing the cutting-edge researches and the most recent breakthroughs in energy and environmental technologies based on catalysis...... principles.A total of 29 invited contributions from the authors who madeoral and poster (very limited number) presentations are includedin this special issue. A wide spectrum of topics is covered, whichcan be broadly categorized as: Clean Fossil Fuels Renewable Fuels Efficient Catalytic Energy Processors...

  18. Beginnings of regular seismic service and research in the Austro-Hungarian Monarchy: Part II

    Czech Academy of Sciences Publication Activity Database

    Plešinger, Axel; Kozák, Jan

    2003-01-01

    Roč. 47, č. 4 (2003), s. 757-791. ISSN 0039-3169 Institutional research plan: CEZ:AV0Z3012916 Keywords : history of earthquake research * Austro-Hungarian Monarchy * macroseismic observations Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.426, year: 2003

  19. Molecular ingredients of heterogeneous catalysis

    International Nuclear Information System (INIS)

    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

  20. Shape-Persistent Multimetallic Cartwheel Complexes: Design, Catalysis and Recycling

    NARCIS (Netherlands)

    Dijkstra, H.P.

    2002-01-01

    An important new research area in the field of homogeneous catalysis is the development of catalytic processes which combine the advantages of homogeneous (high activity/selectivity, mild conditions, reproducibility, good catalyst description) and heterogeneous catalysis (easy catalyst recycling, lo

  1. ‘Spiritalismus vincit Mundum’ Dutch spiritualism and the beginning of psychical research

    Directory of Open Access Journals (Sweden)

    Ingrid Kloosterman

    2014-11-01

    Full Text Available The science of psychical research and parapsychology stemmed, among other things, from wonder about the phenomena of spiritualism: manifestations of the deceased through mediums in séances. In the Netherlands, academic psychical research emerged in 1919, when the Studievereeniging voor Psychical Research (SPR was founded. In this paper, it is argued that a revival of the popularity of spiritualism during the war contributed to the emergence of the Dutch SPR shortly after the First World War had ended. Mass bereavement does not suffice as an explanation for the growth of the spiritualistic movement in the neutral Netherlands in the war years. It is demonstrated that in the writings of spiritualists about the First World War persistent fin-de-siècle themes can be distinguished. Before and during the First World War Dutch spiritualism was dominated by ‘ideologically’ inclined spiritualists and their more ‘critical-scientific’ counterparts were a minority. This had hindered the development of Dutch psychical research. After the war spiritualists shared their hopeful and optimistic perspective of the human soul with scholars leaning towards psychoanalytical and psychomonist ideas. This eventually led to a joint foundation of the Dutch SPR. This alignment between ideological and critical-scientific spiritualists would not last; opinions on how to handle the research subjects (i.e. mediums remained too distinct.

  2. In the Beginning Was the Other: Lacanian Psychoanalysis and Its Implications for Educational Research Method

    Science.gov (United States)

    Hyldgaard, Kirsten

    2009-01-01

    In much of educational philosophy and sciences the fundamental concepts are the subject conceived of as conscious and constituting and the learning process conceived of as a matter of cognition. This article asks what the effect would be on educational research method and educational theory in general if the fundamental concept were the subject in…

  3. 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.

  4. Interstellar catalysis

    International Nuclear Information System (INIS)

    Since gas-phase reactions alone cannot account for the observed abundances of H2 in the typical interstellar cloud, one or more surface reactions are probably involved. Of the three possible candidates, only catalytic production of H2 on transition metal grains is supported by laboratory evidence. Using the rate equations developed in a previous paper for this process, the steady-state equilibrium abundances of H, H2, e-, H+, H-, H2+, and H3+ are calculated for large (r > 10 pcs; M > approximately 102 solar masses), tenuous (n=102-104 cm-3) hydrogen dust clouds under a wide variety of conditions. In addition to the four rate equations involved in the catalytic reactions, 18 gas-phase and one additional surface reaction - the physical adsorption of H-atoms on cold dielectric surfaces and their subsequent recombination and desorption as H2 molecules - are included in the calculations. It is found that metal grains can produce as much interstellar H2 as the best physical adsorption mechanism under optimum conditions if the extinction in the visible is less than 5sup(m).0. The three critical parameters for efficient catalysis (activation energy of desorption, grain temperature, and the number density of available sites) are examined and it is shown that catalytic reactions are efficient producers of H2 under all but the most unfavorable conditions. (Auth.)

  5. Environmental surveillance and research at the Nevada Test Site: The beginning and the rationale

    International Nuclear Information System (INIS)

    Concurrently with the first nuclear-weapons tests at the Nevada Test Site (NTS) in 1951, an environmental surveillance and monitoring program was established offsite. Initial emphasis was on tracking fallout clouds and measuring external radiation exposure rates. An environmental research program was also initiated. Establishment of comprehensive programs has facilitated the ability to address issues such as the inventory and distribution of radionuclides in surface soils, reconstruction of offsite population doses, and recognition of areas requiring additional information. We have learned that a successful environmental monitoring program must be flexible and responsive to change; must address public as well as technical and regulatory concerns; and results must be continuously interpreted to ensure that all pathways are considered and the programs are proactive in their approach

  6. William Henry Bragg in Adelaide: beginning research at a colonial locality.

    Science.gov (United States)

    Jenkin, John

    2004-03-01

    This essay presents an account of W. H. Bragg's earliest research program in Australia during the years 1904-1907: a study of the behavior of alpha particles from radioactive decay. It is suggested that problems associated with distance and isolation played a pivotal role in Bragg's thinking and acting during this period and that his use of two "advocates," Ernest Rutherford and Frederick Soddy, was essential to the success of the program. It is further argued that this account supports a substantial amendment of the center-periphery model of colonial science to embrace a much closer attention to place and locality; that is, it supports a polycentric model (in which the center might still be prominent). PMID:15301067

  7. How will we know "good" qualitative research when we see it? Beginning the dialogue in health services research.

    OpenAIRE

    Devers, K J

    1999-01-01

    OBJECTIVE: To lay the foundation for an explicit review and dialogue concerning the criteria that should be used to evaluate qualitative health services research. Clear criteria are critical for the discipline because they provide a benchmark against which research can be assessed. DATA SOURCES: Existing literature in the social sciences and health services research, particularly in primary care and medicine. PRINCIPAL FINDING: Traditional criteria for evaluating qualitative research are root...

  8. 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.

  9. Beginning C

    CERN Document Server

    Horton, Ivor

    2013-01-01

    Beginning C, 5th Edition teaches you how to program using the widely-available C language. You'll begin from first-principles and progress through step-by-step examples to become a competent, C-language programmer. All you need are this book and any of the widely available free or commercial C or C++ compilers, and you'll soon be writing real C programs. C is a foundational language that every programmer ought to know. C is the basis for C# used in Microsoft .NET programming. It is the basis for Objective-C used in programming for the iPhone, the iPad, and other Apple devices. It is the basis

  10. Bioorthogonal catalysis: Rise of the nanobots

    Science.gov (United States)

    Unciti-Broceta, Asier

    2015-07-01

    Bioorthogonal catalysis provides new ways of mediating artificial transformations in living environs. Now, researchers have developed a nanodevice whose catalytic activity can be regulated by host-guest chemistry.

  11. Beginning Perl

    CERN Document Server

    Lee, James

    2010-01-01

    This is a book for those of us who believed that we didn't need to learn Perl, and now we know it is more ubiquitous than ever. Perl is extremely flexible and powerful, and it isn't afraid of Web 2.0 or the cloud. Originally touted as the duct tape of the Internet, Perl has since evolved into a multipurpose, multiplatform language present absolutely everywhere: heavy-duty web applications, the cloud, systems administration, natural language processing, and financial engineering. Beginning Perl, Third Edition provides valuable insight into Perl's role regarding all of these tasks and more. Comm

  12. Beginning Hibernate

    CERN Document Server

    Minter, Dave; Ottinger, Joseph

    2014-01-01

    Beginning Hibernate, Third Edition is ideal if you're experienced in Java with databases (the traditional, or "connected," approach), but new to open-source, lightweight Hibernate, a leading object-relational mapping and database-oriented application development framework.This book packs in information about the release of the Hibernate 4.x persistence layer and provides a clear introduction to the current standard for object-relational persistence in Java. And since the book keeps its focus on Hibernate without wasting time on nonessential third-party tools, you'll be able to immediately star

  13. Beginning Scala

    CERN Document Server

    Pollak, David

    2009-01-01

    The open source Scala language is a Java--based dynamic scripting, functional programming language. Moreover, this highly scalable scripting language lends itself well to building Cloud--based/deliverable Software as a Service (SaaS) online applications. Written by Lift Scala web framework founder and lead Dave Pollak, Beginning Scala takes a down--to--earth approach to teaching Scala that leads you through simple examples that can be combined to build complex, scalable systems and applications. This book introduces you to the Scala programming language and then guides you through Scala constr

  14. Beginning Spring

    CERN Document Server

    Caliskan, Mert

    2015-01-01

    Get up to speed quickly with this comprehensive guide toSpring Beginning Spring is the complete beginner's guide toJava's most popular framework. Written with an eye towardreal-world enterprises, the book covers all aspects of applicationdevelopment within the Spring Framework. Extensive samples withineach chapter allow developers to get up to speed quickly byproviding concrete references for experimentation, building askillset that drives successful application development byexploiting the full capabilities of Java's latest advances. Spring provides the exact toolset required to build anent

  15. Beginning Perl

    CERN Document Server

    Poe, Curtis 'Ovid'

    2012-01-01

    Everything beginners need to start programming with Perl Perl is the ever-popular, flexible, open source programming language that has been called the programmers’ Swiss army knife. This book introduces Perl to both new programmers and experienced ones who are looking to learn a new language. In the tradition of the popular Wrox Beginning guides, it presents step-by-step guidance in getting started, a host of try-it-out exercises, real-world examples, and everything necessary for a Perl novice to start programming with confidence. Introduces Perl to both new programmers and experienced o

  16. Supported metals in catalysis

    CERN Document Server

    Anderson, James A

    2011-01-01

    With contributions from experts in supported metal catalysis from both the industry and academia, this book presents the latest developments in characterization and application of supported metals in heterogeneous catalysis. In addition to thorough and updated coverage of the traditional aspects of heterogeneous catalysis such as preparation, characterization and use in well-established technologies such as vehicle emission control, the book also includes emerging areas where supported metal catalysis will make significant contributions to future developments, such as fuel cells and fine chemi

  17. Spin-modified catalysis

    International Nuclear Information System (INIS)

    First-principle calculations are used to explore the use of magnetic degrees of freedom in catalysis. We use the Vienna Ab-Initio Simulation Package to investigate both L10-ordered FePt and CoPt bulk materials and perform supercell calculations for FePt nanoclusters containing 43 atoms. As the catalytic activity of transition-metal elements and alloys involves individual d levels, magnetic alloying strongly affects the catalytic performance, because it leads to shifts in the local densities of states and to additional peaks due to magnetic-moment formation. The peak shift persists in nanoparticles but is surface-site specific and therefore depends on cluster size. Our research indicates that small modifications in stoichiometry and cluster size are a useful tool in the search for new catalysts

  18. Spin-modified catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Choudhary, R. [Department of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, Nebraska 68588 (United States); School of Basic Sciences, Indian Institute of Technology Mandi, Mandi 175001, Himachal Pradesh (India); Manchanda, P.; Enders, A.; Balamurugan, B.; Sellmyer, D. J.; Skomski, R., E-mail: rskomski@unl.edu [Department of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, Nebraska 68588 (United States); Kashyap, A. [School of Basic Sciences, Indian Institute of Technology Mandi, Mandi 175001, Himachal Pradesh (India); Sykes, E. C. H. [Department of Chemistry, Pearson Chemistry Laboratory, Tufts University, Medford, Massachusetts 02155 (United States)

    2015-05-07

    First-principle calculations are used to explore the use of magnetic degrees of freedom in catalysis. We use the Vienna Ab-Initio Simulation Package to investigate both L1{sub 0}-ordered FePt and CoPt bulk materials and perform supercell calculations for FePt nanoclusters containing 43 atoms. As the catalytic activity of transition-metal elements and alloys involves individual d levels, magnetic alloying strongly affects the catalytic performance, because it leads to shifts in the local densities of states and to additional peaks due to magnetic-moment formation. The peak shift persists in nanoparticles but is surface-site specific and therefore depends on cluster size. Our research indicates that small modifications in stoichiometry and cluster size are a useful tool in the search for new catalysts.

  19. 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

  20. Microwave Effects in Heterogeneous Catalysis

    Czech Academy of Sciences Publication Activity Database

    Hájek, Milan; Kurfürstová, J.

    Habana: Centro Nacional de Investigaciones Cientificas, 2005 - (Veloz, G.). s. 92-/t17/ ISBN 959-7145-09-X. [Congreso Cientifico international Simposio:Technologías de microondas: Aplicaciones en Química y Biología /14./. 27.06.2005-30.06.2005, Habana] Institutional research plan: CEZ:AV0Z40720504 Keywords : microwave * catalysis * cooling Subject RIV: CC - Organic Chemistry

  1. 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

  2. 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

  3. Age and cause mortality structure in the Italian regions at the beginning of the health transition: a research

    Directory of Open Access Journals (Sweden)

    Lorenzo Del Panta

    2013-05-01

    Full Text Available This paper aims at exploring Italian mortality structure (by age and cause of death at the regional level in the last decades of the 19th Century. These years, corresponding to the beginning of the health transition process, were crucial in the Italian experience. The analysis is based on a careful exploitation of the volume “Statistica delle cause delle morti 1888”, published in 1890, by the General Directorate of Statistics. This volume is the only one which offers for the Italian regions, before the second World war, death statistics classified according to both age and cause together. The principal objectives of this descriptive contribution are essentially to illustrate the territorial variation of mortality conditions in the first phase of the health transition process as well as to underline the relevance and the complexities of the causes specific mortality analysis to explain the geographical mortality differentials in terms of age and sex.

  4. Strategies for Longitudinal Analysis of the Career Paths of Beginning Teachers: Results from the First through Fourth Waves of the 2007-08 Beginning Teacher Longitudinal Study. Research and Development Report. NCES 2013-336

    Science.gov (United States)

    Gray, Lucinda; Brauen, Marsha

    2013-01-01

    To learn more about the early career patterns of beginning teachers, the National Center for Education Statistics (NCES) of the Institute of Education Sciences within the U.S. Department of Education undertook the Beginning Teacher Longitudinal Study (BTLS). The ultimate purpose of this report is to develop a strategy for the longitudinal analysis…

  5. Challenges facing beginning Faculty in the 21st Century Higher Education: Evaluating Research Productivity, Teaching Effectiveness, And Service

    OpenAIRE

    Isaac Bonaparte; Augustus Abbey; Ephraim Okoro

    2014-01-01

    Much of the past and recent scholarly literature on faculty performance, productivity, and effectiveness for tenure and promotion has focused largely on the quality and quantity of research of over a specific timeframe and based on rigorous guidelines. Pre-tenured faculty in research-oriented institutions are expected or required to carry demanding teaching loads, serve on numerous committees, and continue to remain on the cutting edge of research. As a result, isolation, anxiety, and stress ...

  6. Catalysis by Mesoporous Molecular Sieves

    Czech Academy of Sciences Publication Activity Database

    Čejka, Jiří; Vinu, A.

    Oxford : Elsevier B.V./Ltd, 2009 - (Valtchev, V.; Mintova, S.; Tsapatsis, M.), s. 669-688 ISBN 978-0-444-53189-6 R&D Projects: GA AV ČR IAA4040411; GA AV ČR IAA400400805; GA ČR GA104/05/0192; GA ČR GA203/05/0197; GA ČR GA104/07/0383 Institutional research plan: CEZ:AV0Z40400503 Keywords : alkylations * acylations * catalysis * immobilization Subject RIV: CF - Physical ; Theoretical Chemistry

  7. Homogeneous, Heterogeneous, and Enzymatic Catalysis.

    Science.gov (United States)

    Oyama, S. Ted; Somorjai, Gabor A.

    1988-01-01

    Discusses three areas of catalysis: homegeneous, heterogeneous, and enzymatic. Explains fundamentals and economic impact of catalysis. Lists and discusses common industrial catalysts. Provides a list of 107 references. (MVL)

  8. 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

  9. X-Ray absorption in homogeneous catalysis research: the iron-catalyzed Michael addition reaction by XAS, RIXS and multi-dimensional spectroscopy.

    Science.gov (United States)

    Bauer, Matthias; Gastl, Christoph

    2010-06-01

    A survey over X-ray absorption methods in homogeneous catalysis research is given with the example of the iron-catalyzed Michael addition reaction. A thorough investigation of the catalytic cycle was possible by combination of conventional X-ray absorption spectroscopy (XAS), resonant inelastic X-ray scattering (RIXS) and multi-dimensional spectroscopy. The catalytically active compound formed in the first step of the Michael reaction of methyl vinyl ketone with 2-oxocyclopentanecarboxylate (1) could be elucidated in situ by RIXS spectroscopy, and the reduced catalytic activity of FeCl(3) x 6 H(2)O (2) compared to Fe(ClO(4))(3) x 9 H(2)O (3) could be further explained by the formation of a [Fe(III)Cl(4)(-)](3)[Fe(III)(1-H)(2)(H(2)O)(2)(+)][H(+)](2) complex. Chloride was identified as catalyst poison with a combined XAS-UV/vis study, which revealed that Cl(-) binds quantitatively to the available iron centers that are deactivated by formation of [FeCl(4)(-)]. Operando studies in the course of the reaction of methyl vinyl ketone with 1 by combined XAS-Raman spectroscopy allowed the exclusion of changes in the oxidation state and the octahedral geometry at the iron site; a reaction order of two with respect to methyl vinyl ketone and a rate constant of k = 1.413 min(-2) were determined by analysis of the C=C and C=O vibration band. Finally, a dedicated experimental set-up for three-dimensional spectroscopic studies (XAS, UV/vis and Raman) of homogeneous catalytic reactions under laboratory conditions, which emerged from the discussed investigations, is presented. PMID:20405080

  10. 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.

  11. Green chemistry by nano-catalysis

    KAUST Repository

    Polshettiwar, Vivek

    2010-01-01

    Nano-materials are important in many diverse areas, from basic research to various applications in electronics, biochemical sensors, catalysis and energy. They have emerged as sustainable alternatives to conventional materials, as robust high surface area heterogeneous catalysts and catalyst supports. The nano-sized particles increase the exposed surface area of the active component of the catalyst, thereby enhancing the contact between reactants and catalyst dramatically and mimicking the homogeneous catalysts. This review focuses on the use of nano-catalysis for green chemistry development including the strategy of using microwave heating with nano-catalysis in benign aqueous reaction media which offers an extraordinary synergistic effect with greater potential than these three components in isolation. To illustrate the proof-of-concept of this "green and sustainable" approach, representative examples are discussed in this article. © 2010 The Royal Society of Chemistry.

  12. 26 CFR 1.41-4A - Qualified research for taxable years beginning before January 1, 1986.

    Science.gov (United States)

    2010-04-01

    ... constitute qualified research. Thus, wages paid to an employee scientist for services performed in a... principles contained in this paragraph. Example 1. A enters into a contract with B Corporation, a cash-method... expenses would be $42x ($126x − $84x). Example 5. C enters into a contract with D, a cash-method...

  13. Pollution Control by Catalysis

    DEFF Research Database (Denmark)

    Eriksen, Kim Michael; Fehrmann, Rasmus

    1998-01-01

    The report summarises the results of two years of collaboration supported by INTAS between Department of Chemistry,DTU,DK , IUSTI,Universite de Provence,FR, ICE/HT University 6of Patras,GR, and Boreskov Institute of Catalysis,RU.The project has been concerned with mechanistic studies of deNOx and...

  14. Catalysis of Supramolecular Hydrogelation.

    Science.gov (United States)

    Trausel, Fanny; Versluis, Frank; Maity, Chandan; Poolman, Jos M; Lovrak, Matija; van Esch, Jan H; Eelkema, Rienk

    2016-07-19

    One 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 living systems (cells, organisms) is much more extensive, ranging from the formation and breakdown of small molecules and biopolymers to controlling signal transduction cascades and feedback processes, motility, and mechanical action. Such phenomena are only recently starting to receive attention in synthetic materials and chemical systems. "Smart" soft materials could find many important applications ranging from personalized therapeutics to soft robotics to name but a few. Until recently, approaches to control the properties of such materials were largely dominated by thermodynamics, for instance, looking at phase behavior and interaction strength. However, kinetics plays a large role in determining the behavior of such soft materials, for instance, in the formation of kinetically trapped (metastable) states or the dynamics of component exchange. As catalysts can change the rate of a chemical reaction, catalysis could be used to control the formation, dynamics, and fate of supramolecular structures when the molecules making up these structures contain chemical bonds whose formation or exchange are susceptible to catalysis. In this Account, we describe our efforts to use synthetic catalysts to control the properties of supramolecular hydrogels. Building on the concept of synthesizing the assembling molecule in the self-assembly medium from nonassembling precursors, we will introduce the use of catalysis to change the kinetics of assembler formation and thereby the properties of the resulting material. In particular, we will focus on the synthesis of supramolecular hydrogels where the use of a catalyst provides access to gel materials with vastly different appearance and mechanical

  15. Anion-π catalysis.

    Science.gov (United States)

    Zhao, Yingjie; Beuchat, César; Domoto, Yuya; Gajewy, Jadwiga; Wilson, Adam; Mareda, Jiri; Sakai, Naomi; Matile, Stefan

    2014-02-01

    The introduction of new noncovalent interactions to build functional systems is of fundamental importance. We here report experimental and theoretical evidence that anion-π interactions can contribute to catalysis. The Kemp elimination is used as a classical tool to discover conceptually innovative catalysts for reactions with anionic transition states. For anion-π catalysis, a carboxylate base and a solubilizer are covalently attached to the π-acidic surface of naphthalenediimides. On these π-acidic surfaces, transition-state stabilizations up to ΔΔGTS = 31.8 ± 0.4 kJ mol(-1) are found. This value corresponds to a transition-state recognition of KTS = 2.7 ± 0.5 μM and a catalytic proficiency of 3.8 × 10(5) M(-1). Significantly increasing transition-state stabilization with increasing π-acidity of the catalyst, observed for two separate series, demonstrates the existence of "anion-π catalysis." In sharp contrast, increasing π-acidity of the best naphthalenediimide catalysts does not influence the more than 12 000-times weaker substrate recognition (KM = 34.5 ± 1.6 μM). Together with the disappearance of Michaelis-Menten kinetics on the expanded π-surfaces of perylenediimides, this finding supports that contributions from π-π interactions are not very important for anion-π catalysis. The linker between the π-acidic surface and the carboxylate base strongly influences activity. Insufficient length and flexibility cause incompatibility with saturation kinetics. Moreover, preorganizing linkers do not improve catalysis much, suggesting that the ideal positioning of the carboxylate base on the π-acidic surface is achieved by intramolecular anion-π interactions rather than by an optimized structure of the linker. Computational simulations are in excellent agreement with experimental results. They confirm, inter alia, that the stabilization of the anionic transition states (but not the neutral ground states) increases with the π-acidity of the

  16. Using the Solid Research Base on Pregaming to Begin Intervention Development: An Epilogue to the Special Issue on Pregaming.

    Science.gov (United States)

    Pedersen, Eric R

    2016-07-01

    The pregaming research to date, up to and including the innovative studies included in this special issue, has centered on defining the behavior, learning which students may be most at-risk for pregaming, exploring which contexts may be most risky for pregaming, and quantifying the function of pregaming so that individual-level programs can be developed to target the risky practice. Although there is room for continuing to expand and refine our understanding of pregaming, much of the formative work has been conducted-primarily by the researchers highlighted in this special issue. Now it is time to use the understanding we have of this risky behavior to develop and empirically test programs specifically directed toward reducing or eliminating the behavior, not just at the individual level, but by targeting the social, cultural, economic, environmental, and policy level factors that sustain the behavior in the population. This may include targeting the behavior directly through use of techniques that are shown to be effective for young adult behavior change, but this may also require broadening beyond the psychological literature and utilizing expertise from other domains to affect behavior change. PMID:27232647

  17. Applied heterogeneous catalysis

    International Nuclear Information System (INIS)

    This reference book explains the scientific principles of heterogeneous catalysis while also providing details on the methods used to develop commercially viable catalyst products. A section of the book presents reactor design engineering theory and practices for the profitable application of these catalysts in large-scale industrial processes. A description of the mechanisms and commercial applications of catalysis is followed by a review of catalytic reaction kinetics. There are five chapters on selecting catalyst agents, developing and preparing industrial catalysts, measuring catalyst properties, and analyzing the physico-chemical characteristics of solid catalyst particles. The final chapter reviews the elements of catalytic reactor design, with emphasis on flow regimes vs. reactor types, heat and mass transfer in reactor beds, single- and multi-phase flows, and the effects of thermodynamics and other catalyst properties on the process flow scheme

  18. Magnetic Catalysis in Graphene

    CERN Document Server

    Winterowd, Christopher; Zafeiropoulos, Savvas

    2015-01-01

    One of the most important developments in condensed matter physics in recent years has been the discovery and characterization of graphene. A two-dimensional layer of Carbon arranged in a hexagonal lattice, graphene exhibits many interesting electronic properties, most notably that the low energy excitations behave as massless Dirac fermions. These excitations interact strongly via the Coulomb interaction and thus non-perturbative methods are necessary. Using methods borrowed from lattice QCD, we study the graphene effective theory in the presence of an external magnetic field. Graphene, along with other $(2+1)$-dimensional field theories, has been predicted to undergo spontaneous breaking of flavor symmetry including the formation of a gap as a result of the external magnetic field. This phenomenon is known as magnetic catalysis. Our study investigates magnetic catalysis using a fully non-perturbative approach.

  19. 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...

  20. Catalysis of carboxypeptidase A

    DEFF Research Database (Denmark)

    Wu, Shanshan; Zhang, Chunchun; Xu, Dingguo;

    2010-01-01

    The catalytic mechanism of carboxypeptidase A (CPA) for the hydrolysis of ester substrates is investigated using hybrid quantum mechanical/molecular mechanical (QM/MM) methods and high-level density functional theory. The prevailing mechanism was found to utilize an active-site water molecule ass...... here and in our earlier publication, a unified model is proposed to account for nearly all experimental observations concerning the catalysis of CPA....

  1. Heterogeneous radiation catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Cabicar, J.; Kudlacek, R.; Motl, A.; Mucka, V.; Pospisil, M. (Ceske Vysoke Uceni Technicke, Prague (Czechoslovakia). Fakulta Jaderna a Fysikalne Inzenyrska)

    1982-01-01

    Results of the investigation of some radiation catalysis problems are reviewed. Main attention is paid to the radiation effect on the catalytic activity of various catalysts in the decomposition of hydrogen peroxide and in the hydrogenation of maleic acid. The results presented are obtained in the study of the kinetics of reduction of several pre-irradiated metal oxides and of the radiation effect on catalysts used in some catalytic reactions important for industry.

  2. 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.

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

    International Nuclear Information System (INIS)

    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.

  4. Catalysis by gold

    CERN Document Server

    Bond, Geoffrey C; Thompson, David T

    2006-01-01

    Gold has traditionally been regarded as inactive as a catalytic metal. However, the advent of nanoparticulate gold on high surface area oxide supports has demonstrated its high catalytic activity in many chemical reactions. Gold is active as a heterogeneous catalyst in both gas and liquid phases, and complexes catalyse reactions homogeneously in solution. Many of the reactions being studied will lead to new application areas for catalysis by gold in pollution control, chemical processing, sensors and fuel cell technology. This book describes the properties of gold, the methods for preparing g

  5. Intermetallic compounds in heterogeneous catalysis - a quickly developing field

    OpenAIRE

    Armbrüster, M.; Schlögl, R.; Grin, Y.

    2014-01-01

    The application of intermetallic compounds for understanding in heterogeneous catalysis developed in an excellent way during the last decade. This review provides an overview of concepts and developments revealing the potential of intermetallic compounds in fundamental as well as applied catalysis research. Intermetallic compounds may be considered as platform materials to address current and future catalytic challenges, e.g. in respect to the energy transition.

  6. Characterization of textural and surface properties of mesoporous metathesis catalysis

    Czech Academy of Sciences Publication Activity Database

    Balcar, Hynek; Žilková, Naděžda; Bastl, Zdeněk; Dědeček, Jiří; Hamtil, Roman; Brabec, Libor; Zukal, Arnošt; Čejka, Jiří

    Amsterdam : Elsevier B.V./Ltd, 2007 - (Xu, R.; Gao, Z.; Chen, J.; Yan, W.), s. 1145-1152 ISBN 978-0-444-53068-4. - (Studies in surface science and catalysis. Vol. 170) R&D Projects: GA AV ČR IAA4040411; GA MPO FT-TA/042 Institutional research plan: CEZ:AV0Z40400503 Keywords : catalysis * zeolites * metathesis Subject RIV: CF - Physical ; Theoretical Chemistry

  7. DNA-based hybrid catalysis

    NARCIS (Netherlands)

    Rioz-Martínez, Ana; Roelfes, Gerard

    2015-01-01

    In the past decade, DNA-based hybrid catalysis has merged as a promising novel approach to homogeneous (asymmetric) catalysis. A DNA hybrid catalysts comprises a transition metal complex that is covalently or supramolecularly bound to DNA. The chiral microenvironment and the second coordination sphe

  8. Catalysis and prebiotic RNA synthesis

    Science.gov (United States)

    Ferris, James P.

    1993-01-01

    The essential role of catalysis for the origins of life is discussed. The status of the prebiotic synthesis of 2',5'- and 3'5'-linked oligomers of RNA is reviewed. Examples of the role of metal ion and mineral catalysis in RNA oligomer formation are discussed.

  9. Graphitic carbon nitride "reloaded": emerging applications beyond (photo)catalysis.

    Science.gov (United States)

    Liu, Jian; Wang, Hongqiang; Antonietti, Markus

    2016-04-21

    Despite being one of the oldest materials described in the chemical literature, graphitic carbon nitride (g-C3N4) has just recently experienced a renaissance as a highly active photocatalyst, and the metal-free polymer was shown to be able to generate hydrogen under visible light. The semiconductor nature of g-C3N4 has triggered tremendous endeavors on its structural manipulation for enhanced photo(electro)chemical performance, aiming at an affordable clean energy future. While pursuing the stem of g-C3N4 related catalysis (photocatalysis, electrocatalysis and photoelectrocatalysis), a number of emerging intrinsic properties of g-C3N4 are certainly interesting, but less well covered, and we believe that these novel applications outside of conventional catalysis can be favorably exploited as well. Thanks to the general efforts devoted to the exploration and enrichment of g-C3N4 based chemistry, the boundaries of this area have been possibly pushed far beyond what people could imagine in the beginning. This review strives to cover the achievements of g-C3N4 related materials in these unconventional application fields for depicting the broader future of these metal-free and fully stable semiconductors. This review starts with the general protocols to engineer g-C3N4 micro/nanostructures for practical use, and then discusses the newly disclosed applications in sensing, bioimaging, novel solar energy exploitation including photocatalytic coenzyme regeneration, templating, and carbon nitride based devices. Finally, we attempt an outlook on possible further developments in g-C3N4 based research. PMID:26864963

  10. Helically chiral phosphites in enantioselective catalysis

    Czech Academy of Sciences Publication Activity Database

    Žádný, Jaroslav; Clemence, Nathan; Stará, Irena G.; Starý, Ivo

    Praha : -, 2009. s. 612-612. ISBN 978-80-02-02160-5. [ESOC 2009. European Symposium on Organic Chemistry /16./. 12.07.2009-16.07.2009, Praha] R&D Projects: GA MŠk LC512; GA ČR GA203/09/1766; GA ČR GA203/07/1664 Institutional research plan: CEZ:AV0Z40550506 Keywords : helicene * asymmetric catalysis * phosphites Subject RIV: CC - Organic Chemistry

  11. 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: 1.221, year: 2014

  12. Simulations of chemical catalysis

    Science.gov (United States)

    Smith, Gregory K.

    This dissertation contains simulations of chemical catalysis in both biological and heterogeneous contexts. A mixture of classical, quantum, and hybrid techniques are applied to explore the energy profiles and compare possible chemical mechanisms both within the context of human and bacterial enzymes, as well as exploring surface reactions on a metal catalyst. A brief summary of each project follows. Project 1 - Bacterial Enzyme SpvC The newly discovered SpvC effector protein from Salmonella typhimurium interferes with the host immune response by dephosphorylating mitogen-activated protein kinases (MAPKs) with a beta-elimination mechanism. The dynamics of the enzyme substrate complex of the SpvC effector is investigated with a 3.2 ns molecular dynamics simulation, which reveals that the phosphorylated peptide substrate is tightly held in the active site by a hydrogen bond network and the lysine general base is positioned for the abstraction of the alpha hydrogen. The catalysis is further modeled with density functional theory (DFT) in a truncated active-site model at the B3LYP/6-31 G(d,p) level of theory. The truncated model suggested the reaction proceeds via a single transition state. After including the enzyme environment in ab initio QM/MM studies, it was found to proceed via an E1cB-like pathway, in which the carbanion intermediate is stabilized by an enzyme oxyanion hole provided by Lys104 and Tyr158 of SpvC. Project 2 - Human Enzyme CDK2 Phosphorylation reactions catalyzed by kinases and phosphatases play an indispensable role in cellular signaling, and their malfunctioning is implicated in many diseases. Ab initio quantum mechanical/molecular mechanical studies are reported for the phosphoryl transfer reaction catalyzed by a cyclin-dependent kinase, CDK2. Our results suggest that an active-site Asp residue, rather than ATP as previously proposed, serves as the general base to activate the Ser nucleophile. The corresponding transition state features a

  13. Mindfulness and the Beginning Teacher

    Science.gov (United States)

    Bernay, Ross S.

    2014-01-01

    This article reviews a hermeneutic phenomenological study of five beginning teachers who were introduced to mindfulness during their initial teacher education programme. The participants kept fortnightly journals and engaged in three interviews with the researcher to assess the benefits of using mindfulness during the first year of teaching. The…

  14. High-throughput heterogeneous catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Farrusseng, David [Universite Lyon 1, CNRS, UMR 5256, IRCELYON, Institut de recherches sur la catalyse et l' environnement de Lyon, 2 avenue Albert Einstein, F-69626 Villeurbanne (France)

    2008-11-30

    This comprehensive review of the literature (over 250 references) deals with high-throughput experimentation in heterogeneous catalysis. Approaches to library design for catalyst discovery and optimization are described and discussed. Special focus is placed on advanced methods for knowledge discovery such as high-throughput kinetic modeling and QSAR. An inventory of successful case studies in catalysis is reported. Finally, recent developments in relevant electronic data and knowledge management are described. (author)

  15. Support for U.S. Participants at the 15th International Congress on Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Wachs, Israel E.

    2013-08-05

    The grant was used to partially assist the travel expenses of U.S. academic scientists to attend the 15th International Congress on Catalysis. The conference was held in Munich, Germany from July 1-6, 2012. The importance of the International Congress was to bring together the international community of faculty members who participate in catalysis research, and to share information that would lead to further developments and directions in the field of study. Graduate students and Post Docs were invited to apply for travel assistance based on criteria established by the North American Catalysis Society (NACS) and the local Catalysis Clubs.

  16. New strategies in chemical synthesis and catalysis

    CERN Document Server

    Pignataro, Bruno

    2012-01-01

    Providing a comprehensive overview of the essential topics, this book covers the core areas of organic, inorganic, organometallic, biochemical synthesis and catalysis.The authors are among the rising stars in European chemistry, a selection of participants in the 2010 European Young Chemists Award competition, and their contributions deal with most of the frontier issues in chemical synthesis. They give an account of the latest research results in chemistry in Europe, as well as the state of the art in their field of research and the outlook for the future.

  17. Enhanced Micellar Catalysis LDRD.

    Energy Technology Data Exchange (ETDEWEB)

    Betty, Rita G.; Tucker, Mark David; Taggart, Gretchen; Kinnan, Mark K.; Glen, Crystal Chanea; Rivera, Danielle; Sanchez, Andres; Alam, Todd Michael

    2012-12-01

    The primary goals of the Enhanced Micellar Catalysis project were to gain an understanding of the micellar environment of DF-200, or similar liquid CBW surfactant-based decontaminants, as well as characterize the aerosolized DF-200 droplet distribution and droplet chemistry under baseline ITW rotary atomization conditions. Micellar characterization of limited surfactant solutions was performed externally through the collection and measurement of Small Angle X-Ray Scattering (SAXS) images and Cryo-Transmission Electron Microscopy (cryo-TEM) images. Micellar characterization was performed externally at the University of Minnesota's Characterization Facility Center, and at the Argonne National Laboratory Advanced Photon Source facility. A micellar diffusion study was conducted internally at Sandia to measure diffusion constants of surfactants over a concentration range, to estimate the effective micelle diameter, to determine the impact of individual components to the micellar environment in solution, and the impact of combined components to surfactant phase behavior. Aerosolized DF-200 sprays were characterized for particle size and distribution and limited chemical composition. Evaporation rates of aerosolized DF-200 sprays were estimated under a set of baseline ITW nozzle test system parameters.

  18. How Wars Begin

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    @@ The Stevenson family was having dinner. The family atewithout talking for several minutes, then Tom said, "Daddy,do you know how wars begin? " Mr. Stevenson thought for a moment, then he said, "Yes,I think so.

  19. Beginning ASPNET Security

    CERN Document Server

    Dorrans, Barry

    2010-01-01

    Beginning ASP.NET 3.5 Security is geared for novice to intermediate ASP.NET programmers who wish to protect and defend their web sites against attack and exploitation. Beginning with a discussion of why we need security and the things that may occur when it is ignored and an overview of how ASP.NET works, readers are taken through the common steps in developing a web site, the security problems each area exposes and how these can be exploited. Visual Studio Security MVP Barry Dorrans teaches readers how they can defend their applications using the standard .NET framework, industry patterns and

  20. Beginning Ubuntu Linux

    CERN Document Server

    Raggi, Emilio; Channelle, Andy; Parsons, Trevor; Van Vugt, Sander

    2010-01-01

    Ubuntu Linux is the fastest growing Linux-based operating system, and Beginning Ubuntu Linux, Fifth Edition teaches all of us - including those who have never used Linux - how to use it productively, whether you come from Windows or the Mac or the world of open source. Beginning Ubuntu Linux, Fifth Edition shows you how to take advantage of the newest Ubuntu release, Lucid Lynx. Based on the best-selling previous edition, Emilio Raggi maintains a fine balance between teaching Ubuntu and introducing new features. Whether you aim to use it in the home or in the office, you'll be introduced to th

  1. Beginning Rails 3

    CERN Document Server

    Barazi, Rida Al

    2010-01-01

    Beginning Rails 3 is the practical starting point for anyone wanting to learn how to build dynamic web applications using the latest release of the Rails framework for Ruby. You'll learn how all of the components of Rails fit together and how you can leverage them to create sophisticated web applications with less code and more joy. This book is particularly well suited to those with little or no experience with web application development, or who have some experience but are new to Rails. Beginning Rails 3 assumes basic familiarity with web terms and technologies, but doesn't require you to b

  2. Photoredox Catalysis in Organic Chemistry

    Science.gov (United States)

    2016-01-01

    In recent years, photoredox catalysis has come to the forefront in organic chemistry as a powerful strategy for the activation of small molecules. In a general sense, these approaches rely on the ability of metal complexes and organic dyes to convert visible light into chemical energy by engaging in single-electron transfer with organic substrates, thereby generating reactive intermediates. In this Perspective, we highlight the unique ability of photoredox catalysis to expedite the development of completely new reaction mechanisms, with particular emphasis placed on multicatalytic strategies that enable the construction of challenging carbon–carbon and carbon–heteroatom bonds. PMID:27477076

  3. 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.

  4. Photoredox Catalysis in Organic Chemistry.

    Science.gov (United States)

    Shaw, Megan H; Twilton, Jack; MacMillan, David W C

    2016-08-19

    In recent years, photoredox catalysis has come to the forefront in organic chemistry as a powerful strategy for the activation of small molecules. In a general sense, these approaches rely on the ability of metal complexes and organic dyes to convert visible light into chemical energy by engaging in single-electron transfer with organic substrates, thereby generating reactive intermediates. In this Perspective, we highlight the unique ability of photoredox catalysis to expedite the development of completely new reaction mechanisms, with particular emphasis placed on multicatalytic strategies that enable the construction of challenging carbon-carbon and carbon-heteroatom bonds. PMID:27477076

  5. Beginning to edit physics

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, P.W.

    1995-02-01

    A physicist-turned-editor shows you the basics required for copyediting physics papers (physical quantities, symbols, units, scientific notation, the structure of mathematical expressions, the nature of graphs), and points the way to learning enough ``editorial physics`` to begin substantive editing.

  6. Beginning Steps to Improvisation.

    Science.gov (United States)

    Mickolajak, Mary T.

    2003-01-01

    Describes a unit used with sixth-grade students focusing on jazz and blues that taught improvisation. Discusses the different levels of improvisation that were used, providing the beginning activities, and describes activities that focus on the third level of improvisation called product-oriented improvisation. (CMK)

  7. Health Begins at Home

    Centers for Disease Control (CDC) Podcasts

    2009-03-30

    Clean and well-maintained homes can prevent many illnesses and injuries. This podcast discusses how good health begins at home.  Created: 3/30/2009 by Coordinating Center for Environmental Health and Injury Prevention (CCEHIP).   Date Released: 3/30/2009.

  8. Supporting Beginning Science Teachers

    Science.gov (United States)

    Luft, Julie A.; Bang, EunJin; Roehrig, Gillian H.

    2007-01-01

    The focus of this article is the more immediate way to help new science teachers, which comes from the experienced and professionally active teacher--you! As science teacher educators who work with and study the development of beginning teachers, the authors found the support offered knowingly and unknowingly by the teacher next door was a…

  9. Flexibility, diversity, and cooperativity: pillars of enzyme catalysis.

    Science.gov (United States)

    Hammes, Gordon G; Benkovic, Stephen J; Hammes-Schiffer, Sharon

    2011-12-01

    This brief review discusses our current understanding of the molecular basis of enzyme catalysis. A historical development is presented, beginning with steady state kinetics and progressing through modern fast reaction methods, nuclear magnetic resonance, and single-molecule fluorescence techniques. Experimental results are summarized for ribonuclease, aspartate aminotransferase, and especially dihydrofolate reductase (DHFR). Multiple intermediates, multiple conformations, and cooperative conformational changes are shown to be an essential part of virtually all enzyme mechanisms. In the case of DHFR, theoretical investigations have provided detailed information about the movement of atoms within the enzyme-substrate complex as the reaction proceeds along the collective reaction coordinate for hydride transfer. A general mechanism is presented for enzyme catalysis that includes multiple intermediates and a complex, multidimensional standard free energy surface. Protein flexibility, diverse protein conformations, and cooperative conformational changes are important features of this model. PMID:22029278

  10. KCC1: First Nanoparticle developed by KAUST Catalysis Center

    KAUST Repository

    Basset, Jean-Marie

    2010-08-01

    KCC1 is the first Nanoparticle developed by KAUST Catalysis Center. Director of KAUST Catalysis Center, Dr. Jean-Marie Basset, Senior Research Scientist at KCC, Dr. Vivek Polshettiwar, and Dr. Dongkyu Cha of the Advanced Nanofabrication Imaging & Characterization Core Laboratory discuss the details of this recent discovery. This video was produced by KAUST Visualization Laboratory and KAUST Technology Transfer and Innovation - Terence McElwee, Director, Technology Transfer and Innovation - IP@kaust.edu.sa This technology is part of KAUST\\'s technology commercialization program that seeks to stimulate development and commercial use of KAUST-developed technologies. For more information email us at ip@kaust.edu.sa.

  11. 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.

  12. Cyclopalladated complexes in enantioselective catalysis

    Science.gov (United States)

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

    2011-01-01

    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.

  13. Functionalized pyrazines as ligands for minor actinide extraction and catalysis

    NARCIS (Netherlands)

    Nikishkin, N.

    2013-01-01

    The research presented in this thesis concerns the design of ligands for a wide range of applications, from nuclear waste treatment to catalysis. The strategies employed to design actinide-selective extractants, for instance, comprise the fine tuning of the ligand electronic properties as well as us

  14. Physical applications of muon catalysis: Muon capture in hydrogen

    Science.gov (United States)

    Filchenkov, V. V.

    2016-07-01

    Results of theoretical and experimental research on capture of negative muons in hydrogen are reported with an emphasis on the accompanying phenomenon of muon catalysis in hydrogen and subtleties of the experimental method. A conclusion is drawn that precise determination of the capture rate is important for refining the standard model.

  15. Beginning Objective-C

    CERN Document Server

    Dovey, James

    2012-01-01

    Objective-C is today's fastest growing programming language, at least in part due to the popularity of Apple's Mac, iPhone and iPad. Beginning Objective-C is for you if you have some programming experience, but you're new to the Objective-C programming language and you want a modern-and fast-way forwards to your own coding projects. Beginning Objective-C offers you a modern programmer's perspective on Objective-C courtesy of two of the best iOS and Mac developers in the field today, and gets you programming to the best of your ability in this important language.  It gets you rolling fast into

  16. Selective continuous flow catalysis using transition metal complexes in supported ionic liquid phase with supercritical carbon dioxide

    OpenAIRE

    Hintermair, Ulrich

    2011-01-01

    The present thesis deals with the development of a novel, efficient reaction concept which allows selective catalysis mediated by molecularly defined transition metal complexes to be conducted in a continuous manner with fully integrated product separation. Such systems may open up new opportunities in chemical synthesis and catalysis research, and also pave the way for a broader application of organometallic catalysis in the chemical industry. In this context, the general merits and conceptu...

  17. Virginia Beginning Farmer & Rancher Coalition Program: Virginia Beginning Farmer Profiles

    OpenAIRE

    Niewolny, Kim; Whitter-Cummings, Althea

    2013-01-01

    The purpose of the Virginia Beginning Farmer Profiles is to help beginning farmers and ranchers in Virginia gain knowledge about farm start-up and planning from first-hand, personal experiences shared by other beginning farmers. This educational resource is component of the Virginia Beginning Farmer and Rancher Coalition Program's "Whole Farm Planning" curriculum.

  18. Begining Java EE 7

    CERN Document Server

    Gonclaves, Antonio

    2013-01-01

    Java Enterprise Edition (Java EE) continues to be one of the leading Java technologies and platforms. Beginning Java EE 7 is the first tutorial book on Java EE 7. Step by step and easy to follow, this book describes many of the Java EE 7 specifications and reference implementations, and shows them in action using practical examples. This definitive book also uses the newest version of GlassFish to deploy and administer the code examples. Written by an expert member of the Java EE specification request and review board in the Java Community Process (JCP), this book contains the best information possible, from an expert’s perspective on enterprise Java technologies.

  19. Beginning partial differential equations

    CERN Document Server

    O'Neil, Peter V

    2011-01-01

    A rigorous, yet accessible, introduction to partial differential equations-updated in a valuable new edition Beginning Partial Differential Equations, Second Edition provides a comprehensive introduction to partial differential equations (PDEs) with a special focus on the significance of characteristics, solutions by Fourier series, integrals and transforms, properties and physical interpretations of solutions, and a transition to the modern function space approach to PDEs. With its breadth of coverage, this new edition continues to present a broad introduction to the field, while also addres

  20. Beginning Windows 8

    CERN Document Server

    Halsey, Mike

    2012-01-01

    Windows 8 has been described by Microsoft as its 'boldest' Windows release ever. Beginning Windows 8 takes you through the new features and helps you get more out of the familiar to reveal the possibilities for this amazing new operating system. You will learn, with non-technical language used throughout, how to get up and running in the new Windows interface, minimize downtime, maximize productivity, and harness the features you never knew existed to take control of your computer and enjoy the peace of mind and excitement that comes with it. From tips and tweaks to easy-to-follow guides and d

  1. Cinder begin creative coding

    CERN Document Server

    Rijnieks, Krisjanis

    2013-01-01

    Presented in an easy to follow, tutorial-style format, this book will lead you step-by-step through the multi-faceted uses of Cinder.""Cinder: Begin Creative Coding"" is for people who already have experience in programming. It can serve as a transition from a previous background in Processing, Java in general, JavaScript, openFrameworks, C++ in general or ActionScript to the framework covered in this book, namely Cinder. If you like quick and easy to follow tutorials that will let yousee progress in less than an hour - this book is for you. If you are searching for a book that will explain al

  2. Beginning Android 3

    CERN Document Server

    Murphy, Mark

    2011-01-01

    The vibrant and rich Android development platform, created by Google and the Open Handset Alliance, continues to be a platform in its truest sense, encompassing hundreds of classes beyond the traditional Java classes and open source components that ship with the software development kit. Android's continued growth includes support for Flash and Flash gaming apps, Wi-Fi tethering, improved performance, WebM or WebMedia integration for HTML5-based video and other multimedia APIs, Chrome OS (WebOS) integration, and more. With Beginning Android 3, you'll learn how to develop applications for Andro

  3. Beginning Android 2

    CERN Document Server

    Murphy, Mark

    2010-01-01

    The Android development platform, created by Google and the Open Handset Alliance, is a platform in its truest sense, encompassing hundreds of classes beyond the traditional Java classes and open source components that ship with the SDK. With Beginning Android 2, you'll learn how to develop applications for Android 2.x mobile devices, using simple examples that are ready to run with your copy of the SDK. Author, Android columnist, writer, developer, and community advocate Mark L. Murphy will show you what you need to know to get started programming Android applications, including how to craft

  4. Beginning Android Application Development

    CERN Document Server

    Lee, Wei-Meng

    2011-01-01

    Create must-have applications for the latest Android OSThe Android OS is a popular and flexible platform for many of today's most in-demand mobile devices. This full-color guide offers you a hands-on introduction to creating Android applications for the latest mobile devices. Veteran author Wei Meng Lee accompanies each lesson with real-world examples to drive home the content he covers. Beginning with an overview of core Android features and tools, he moves at a steady pace while teaching everything you need to know to successfully develop your own Android applications.Explains what an activi

  5. Beginning Visual Basic 2010

    CERN Document Server

    Willis, Thearon

    2010-01-01

    A focused, step-by-step approach to Visual Basic for new programmers. What better way to get started with Visual Basic than with this essential Wrox beginner's guide? Beginning Microsoft Visual Basic 2010 not only shows you how to write Windows applications, Web applications with ASP.NET, and Windows mobile and embedded CE apps with Visual Basic 2010, but you'll also get a thorough grounding in the basic nuts-and-bolts of writing good code. You'll be exposed to the very latest VB tools and techniques with coverage of both the Visual Studio 2010 and .NET 4 releases. Plus, the book walks you ste

  6. Beginning programming for dummies

    CERN Document Server

    Wang, Wallace

    2011-01-01

    Do you think the programmers who work at your office are magical wizards who hold special powers that manipulate your computer? Believe it or not, anyone can learn how to write programs, and it doesn't take a higher math and science education to start. Beginning Programming for Dummies shows you how computer programming works without all the technical details or hard programming language. It explores the common parts of every computer programming language and how to write for multiple platforms like Windows, Mac OS X, or Linux. This easily accessible guide provides you with the tools

  7. Beginning Swift programming

    CERN Document Server

    Lee, Wei-Meng

    2014-01-01

    Enter the Swift future of iOS and OS X programming Beginning Swift Programming is your ideal starting point for creating Mac, iPhone, and iPad apps using Apple's new Swift programming language. Written by an experienced Apple developer and trainer, this comprehensive guide explains everything you need to know to jumpstart the creation of your app idea. Coverage includes data types, strings and characters, operators and functions, arrays and dictionaries, control flow, and looping, with expert guidance on classes, objects, class inheritance, closures, protocols, and generics. This succinct - ye

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

    International Nuclear Information System (INIS)

    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)

  9. Gordon research conference on the dynamics and regulation of photosynthesis: from the origin of bio-catalysis to innovative solar conversion.

    Science.gov (United States)

    Govindjee; Grossman, Arthur R; Bhaya, Devaki

    2016-03-01

    We provide here a news report on the 2015 Gordon Research Conference "Dynamics and regulation of photosynthesis: from the origin of biocatalysis to innovative solar conversion.'' It was held at Bentley University, Waltham, MA, USA, June 28-July 3, 2015, and offered a mix of traditional and emerging areas that highlighted new directions and methods of analyses. A major innovation was short (1 min) poster highlights that added an exciting dynamic to the interactions. Following the end of the formal sessions, three young scientists (Andrian Gutu, of Harvard University, USA; Alizée Malnoë, of University of California, Berkeley, USA; and Yuval Mazor of Tel Aviv University, Israel) were recognized for their research; they also each received a recent volume of "Advances in photosynthesis and respiration including bioenergy and related processes" from Govindjee. We also provide at the end a brief report on the Gordon Research Seminar that preceded the conference. PMID:26338068

  10. 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...... amount of experimental data gathered during the last decades. This article shows how density functional theory can be used to describe the state of the surface during reactions and the rate of catalytic reactions. It will also show how we are beginning to understand the variation in catalytic activity...

  11. Methane Activation by Heterogeneous Catalysis

    OpenAIRE

    Horn, R.; Schlögl, R.

    2015-01-01

    Methane activation by heterogeneous catalysis will play a key role to secure the supply of energy, chemicals and fuels in the future. Methane is the main constituent of natural gas and biogas and it is also found in crystalline hydrates at the continental slopes of many oceans and in permafrost areas. In view of this vast reserves and resources, the use of methane as chemical feedstock has to be intensified. The present review presents recent results and developments in heterogeneous catalyti...

  12. Magnetic catalysis in nuclear matter

    OpenAIRE

    Haber, Alexander; Preis, Florian; Schmitt, Andreas

    2014-01-01

    A strong magnetic field enhances the chiral condensate at low temperatures. This so-called magnetic catalysis thus seeks to increase the vacuum mass of nucleons. We employ two relativistic field-theoretical models for nuclear matter, the Walecka model and an extended linear sigma model, to discuss the resulting effect on the transition between vacuum and nuclear matter at zero temperature. In both models we find that the creation of nuclear matter in a sufficiently strong magnetic field becom...

  13. Catalysis: Quantifying charge transfer

    Science.gov (United States)

    James, Trevor E.; Campbell, Charles T.

    2016-02-01

    Improving the design of catalytic materials for clean energy production requires a better understanding of their electronic properties, which remains experimentally challenging. Researchers now quantify the number of electrons transferred from metal nanoparticles to an oxide support as a function of particle size.

  14. Festival Begins in Tibet

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    A giant Tangka,a religious silk embroidery or painting of Buddha,is unfolded by monks on the hill slope near Drepung Monastery on the outskirts of Lhasa,capital city of southwest China’s Tibet Autonomous Region,starting the 2011 Shoton Festival,which lasts from August 29 to September 4.Shoton Festival,one of the most popular traditional festivals in Tibet,is celebrated annually from the end of the sixth month to the beginning of the seventh month according to the Tibetan calendar.It attracts tens of thousands of Buddhists and tourists each year.During the weeklong festival,people gather to drink yogurt,watch Tibetan operas,and pay homage to giant paintings of Buddha.Originating from the 11th century,the festival is now a national intangible cultural heritage.

  15. CATALYSIS SCIENCE AND TECHNOLOGY

    Energy Technology Data Exchange (ETDEWEB)

    M. ABRAMS; R. BAKER; ET AL

    2000-08-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Our objectives were to develop a multidisciplinary team and capabilities to develop a fundamental understanding of homogeneous, heterogeneous, and heterogenized catalysts. With the aid of theoretical chemistry approaches we explored and characterized the chemical reactivity and physical properties of a large number of catalytic systems.

  16. Researching Our Own Practice: An Individual Creative Process and a Dialogic-Collaborative Process: Self Knowledge is the Beginning of Wisdom. Krishnamurti (1991, p. 196

    Directory of Open Access Journals (Sweden)

    Farren Margaret

    2014-09-01

    Full Text Available In this paper, we explain how our individual PhD enquiries (Farren, 2006; Crotty, 2012 have informed the philosophical underpinnings of our postgraduate programmes. The approach used to ensure validity and rigour in the research process is presented. We report on the development of the International Research Centre for e-Innovation and Workplace Learning and its collaboration in European projects such as Pathway to Inquiry Based Learning, Inspiring Science Education (ISE and the African based Global e-Schools and Communities Initiative (GeSCI project Leadership Development in ICT and the Knowledge Society. Our claim is that researching our own practice can be a transformative experience for the practitioner-researcher who is committed to generating knowledge that has personal, professional and social value.

  17. 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.

  18. Pacific Northwest National Laboratory Catalysis Highlights for FY2007

    Energy Technology Data Exchange (ETDEWEB)

    Garrett, Bruce C.

    2007-11-15

    To reduce the nation’s dependence on imported oil, the U.S. Department of Energy (DOE) and other federal and private agencies are investing in understanding catalysis. This report focuses on catalysis research conducted by Pacific Northwest National Laboratory (PNNL) and its collaborators. Using sophisticated instruments in DOE’s Environmental Molecular Sciences Laboratory, a national scientific user facility, research was conducted to answer key questions related to the nation’s use of automotive fuels. Research teams investigated how hydrogen can be safely stored and efficiently released, critical questions to use this alternative fuel. Further, they are answering key questions to design molecular catalysts to control the transfer of hydrogen atoms, hydrides, and protons important to hydrogen production. In dealing with today’s fuels, researchers examined adsorption of noxious nitrous oxides in automotive exhaust. Beyond automotive fuel, researchers worked on catalysts to harness solar power. These catalysts include the rutile and anatase forms of titanium dioxide. Basic research was conducted on designing catalysts for these and other applications. Our scientists examined how to build catalysts with the desired properties atom by atom and molecule by molecule. In addition, this report contains brief descriptions of the outstanding accomplishments of catalysis experts at PNNL.

  19. Solid acid catalysis from fundamentals to applications

    CERN Document Server

    Hattori, Hideshi

    2014-01-01

    IntroductionTypes of solid acid catalystsAdvantages of solid acid catalysts Historical overviews of solid acid catalystsFuture outlookSolid Acids CatalysisDefinition of acid and base -Brnsted acid and Lewis acid-Acid sites on surfacesAcid strengthRole of acid sites in catalysisBifunctional catalysisPore size effect on catalysis -shape selectivity-Characterization of Solid Acid Catalysts Indicator methodTemperature programmed desorption (TPD) of ammoniaCalorimetry of adsorption of basic moleculesInfrare

  20. Cooperative catalysis designing efficient catalysts for synthesis

    CERN Document Server

    Peters, René

    2015-01-01

    Written by experts in the field, this is a much-needed overview of the rapidly emerging field of cooperative catalysis. The authors focus on the design and development of novel high-performance catalysts for applications in organic synthesis (particularly asymmetric synthesis), covering a broad range of topics, from the latest progress in Lewis acid / Br?nsted base catalysis to e.g. metal-assisted organocatalysis, cooperative metal/enzyme catalysis, and cooperative catalysis in polymerization reactions and on solid surfaces. The chapters are classified according to the type of cooperating acti

  1. Short Research Note: The Beginning Spanish Lexicon--A Web-Based Interface to Calculate Phonological Similarity among Spanish Words in Adults Learning Spanish as a Foreign Language

    Science.gov (United States)

    Vitevitch, Michael S.; Stamer, Melissa K.; Kieweg, Douglas

    2012-01-01

    A number of resources provide psycholinguistic researchers with information about the words that the typical child or adult knows in a variety of languages. What is currently not available is a resource that provides information about the words that a typical adult learning a foreign language knows. We created such a resource for Spanish: The…

  2. "In Dreams Begins Responsibility": A Self-Study about How Insights from Dreams May Be Brought into the Sphere of Action Research

    Science.gov (United States)

    Balogh, Ruth

    2010-01-01

    This paper argues that material from dreams offers a resource within the social sphere that has potential for the practice of action research. The modern approach to dream interpretation, following Freud, has almost exclusively been situated at the level of the therapeutic dyad where the significance of dream material is circumscribed within…

  3. Contrast and Synergy between Electrocatalysis and Heterogeneous Catalysis

    Directory of Open Access Journals (Sweden)

    Andrzej Wieckowski

    2011-01-01

    Full Text Available The advances in spectroscopy and theory that have occurred over the past two decades begin to provide detailed in situ resolution of the molecular transformations that occur at both gas/metal as well as aqueous/metal interfaces. These advances begin to allow for a more direct comparison of heterogeneous catalysis and electrocatalysis. Such comparisons become important, as many of the current energy conversion strategies involve catalytic and electrocatalytic processes that occur at fluid/solid interfaces and display very similar characteristics. Herein, we compare and contrast a few different catalytic and electrocatalytic systems to elucidate the principles that cross-cut both areas and establish characteristic differences between the two with the hope of advancing both areas.

  4. Educational anthropology as a major approach for educational research: The beginnings and the evolution of educational anthropology, with an overview of its introduction in the Greek educational context

    OpenAIRE

    Ioannis Sideris

    2013-01-01

    This article is presenting and investigating the input of social and cultural anthropology in educational research. Moreover, the cultural focus is on Greece and Greek educational institutions. Socio-cultural anthropology offers a multiplicity of alternative pathways to the investigation of ‘who we are’ and why we behave the way we do through the study of cultures and institutions different from ours. The anthropology of education investigates a number of problems such as the socialization fu...

  5. Beginning analog electronics through projects

    CERN Document Server

    Singmin, Andrew

    2001-01-01

    Analog electronics is the simplest way to start a fun, informative, learning program. Beginning Analog Electronics Through Projects, Second Edition was written with the needs of beginning hobbyists and students in mind. This revision of Andrew Singmin's popular Beginning Electronics Through Projects provides practical exercises, building techniques, and ideas for useful electronics projects. Additionally, it features new material on analog and digital electronics, and new projects for troubleshooting test equipment.Published in the tradition of Beginning Electronics Through Projects an

  6. Heterogeneous catalysis fundamentals and applications

    CERN Document Server

    Ross, Julian RH

    2011-01-01

    Heterogeneous catalysis plays a part in the production of more than 80% of all chemical products. It is therefore essential that all chemists and chemical engineers have an understanding of the fundamental principles as well as the applications of heterogeneous catalysts. This book introduces the subject, starting at a basic level, and includes sections on adsorption and surface science, catalytic kinetics, experimental methods for preparing and studying heterogeneous catalysts, as well as some aspects of the design of industrial catalytic reactors. It ends with a chapter that covers a range

  7. 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

  8. Water Research Consortium U.S. Department of Energy Grant Award Number DE-FG02-05ER64132 Final Technical Report For Period Beginning: 15 September 2005 And Ending: 31 December 2009 Report Date: 16 March 2010

    Energy Technology Data Exchange (ETDEWEB)

    Steven R. Billingsley

    2010-03-18

    This report summarizes the activities of the INRA Water Research Consortium (IWRC) for the period beginning September 15, 2005 and ending December 16, 2010. This report compares accomplishments to project objectives, documents the activities associated with this project, and lists products developed during the course of the project. The Water Resources Research Needs Assessment team received funding from the Inland Northwest Research Alliance Water Resources Steering Committee to facilitate a structured needs assessment process that could provide a basis for future targeted research efforts to improve regional water resources management in the Inland Northwest region. The original INRA proposal specifically mentions the need to conduct a detailed assessment of the information and research needs of policy makers and water user groups during a period of increasing competition for scarce water supplies. A particular focus of this assessment would be to understand what types of research might facilitate water resource management during periods of drought. The specific goals of the Needs Assessment project were to: (1) Quickly ascertain the perceptions of diverse stakeholders in this region; (2) Condense this complex information into a format that can be shared with the INRA scientific panel, and (3) Develop of a realistic set of research needs & priorities that can shape future INRA-funded research activities.

  9. The Challenge of Beginning

    Science.gov (United States)

    Hargrove, Ryan; Rice, Art

    2015-01-01

    This article presents a way of approaching introductory design education that expands student creativity through building on research related to the impact of cognitive development and metacognitive thinking. The strategy presented emphasises the importance of encouraging divergent thinking and understanding how students perceive knowledge. The…

  10. Discrete Vector Models for Catalysis and Autocatalysis

    Directory of Open Access Journals (Sweden)

    Peter Jörg Plath

    2008-06-01

    Full Text Available Based on Ruch's concept of diagram lattices formed by Young diagrams we investigated the possibility to transform incomparable diagrams into comparable ones by means of vector catalysis. Ruch's diagram lattices allow a very general description of comparing frequency distributions by their mixing-character as an order relation which is equivalent to majorisation in the mathematical theory of inequalities. Dealing with Young diagrams or vectors containing only integer components, respectively, vector catalysis is strongly related to entanglement catalysis in quantum informatics. In a very systematic way the diagram lattices of the partitions up to the number n=20 have been searched for incomparable pairs which can be catalysed. This concept opens the opportunity for regarding vector catalysis as a universal phenomenon which is not restricted to the quantum mechanical idea of entanglement catalysis. Such a general approach offers the possibility to compare vector catalysis with chemical ideas of catalysis and autocatalysis in a very fundamental sense. We emphasize that vector catalysis is a universally valid procedure for classification purposes, where incomparable sequences of symbols are transformed into comparable ones in a much higher dimensional space ignoring any physical interpretation of these symbols.

  11. "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

  12. Research Program of International Geophysical Year (Igy-1957 Have Ended In the Millennium Beginning By Discovery of the Theoretical Current Sheets in the Nature

    Directory of Open Access Journals (Sweden)

    Ostapenko V. A.

    2016-08-01

    Full Text Available We declare about the discovery in the Nature of theoretical current sheets by S. I. Syrovatskij. The first “natural” current sheet was discovered in flare spectrum, calculated and researched experimentally. The current sheets (CS are found in chromosphere and downward levels in optical range data. The main problem of physics of solar flares has been solved. Magnetic field energy is a primary source of active processes in solar plasma. Current sheet (CS of S. I. Syrovatskij is the mechanism of magnetic energy transformation into plasma energy. The current sheet is not discovered in a flare, as expected. As a matter of fact, solar flare is in itself a current sheet, its direct observed development in chromosphere plasma. Continuous current sheet radiation is the «black» (BLF and the «white» (WLF flare (like light of Sun photosphere. It is the negative hydrogen ion excitation upon reaching hydrogen plasma density of ˃5 1017 cm -3 .

  13. A difficult beginning

    Directory of Open Access Journals (Sweden)

    Suneth Agampodi

    2013-10-01

    Full Text Available Anuradhapura clinical society (ACS took a momentous decision this year to improve the quality of Anuradhapura Medical Journal (AMJ, the official journal of ACS. Moving away from the tradition of appointing an editor annually with the change of office bearers of ACS, the society appointed two of us as editors for unlimited period to elevate the quality of AMJ. Previously AMJ was a part of annual scientific sessions and from this year, it was decided to go for a proper journal rather than a conference publication. For all practical reasons we are on probation now! AMJ has been in existence for six volumes. We can assume minimum of six published issues if at least one issue per volume was published, and that’s lot of work. One of the first things we have done is to obtain an International Standard serial Number (ISSN and digitalize the journal. With the help of Sioux Cumming and INASP we have managed to have the volume five and six in the Sri Lanka Journals Online (SLJOL (1. This issue (volume seven is the first issue under our stewardship. In this issue, we have two original articles, two case reports about bugs’ bites, two perspectives, and a review on rhinosporidiosis by a world-renowned expert. Volume seven will have one issue. Hopefully volume eight will at least have two issues per year, Yala and Maha.All original articles, case reports, and perspectives published in this issue are peer-reviewed but not refereed, showing the red card is our job although we are heavily influenced by the reviewers. If we acquire enough merit in this birth, we will be bestowed with reviewers who are conscious of deadlines. But, you researchers can’t wait till the next birth so please keep sending your research to us. If you have not heard from us still, it is because your manuscripts are being peer reviewed.There is a Sinhalese adage that “a devils abode is constructed according to the devil”. The quality of the journal is reflected on the articles it

  14. Molecular-Level Design of Heterogeneous Chiral Catalysis

    International Nuclear Information System (INIS)

    The following is a proposal to continue our multi-institutional research on heterogeneous chiral catalysis. Our team combines the use of surface-sensitive analytical techniques for the characterization of model systems with quantum and statistical mechanical calculations to interpret experimental data and guide the design of future research. Our investigation focuses on the interrelation among the three main mechanisms by which enantioselectivity can be bestowed to heterogeneous catalysts, namely: (1) by templating chirality via the adsorption of chiral supramolecular assemblies, (2) by using chiral modifiers capable of forming chiral complexes with the reactant and force enantioselective surface reactions, and (3) by forming naturally chiral surfaces using imprinting chiral agents. Individually, the members of our team are leaders in these various aspects of chiral catalysis, but the present program provides the vehicle to generate and exploit the synergies necessary to address the problem in a comprehensive manner. Our initial work has advanced the methodology needed for these studies, including an enantioselective titration procedure to identify surface chiral sites, infrared spectroscopy in situ at the interface between gases or liquids and solids to mimic realistic catalytic conditions, and DFT and Monte Carlo algorithms to simulate and understand chirality on surfaces. The next step, to be funded by the monies requested in this proposal, is to apply those methods to specific problems in chiral catalysis, including the identification of the requirements for the formation of supramolecular surface structures with enantioselective behavior, the search for better molecules to probe the chiral nature of the modified surfaces, the exploration of the transition from supramolecular to one-to-one chiral modification, the correlation of the adsorption characteristics of one-to-one chiral modifiers with their physical properties, in particular with their configuration

  15. Molecular-Level Design of Heterogeneous Chiral Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Francisco Zaera

    2012-03-21

    The following is a proposal to continue our multi-institutional research on heterogeneous chiral catalysis. Our team combines the use of surface-sensitive analytical techniques for the characterization of model systems with quantum and statistical mechanical calculations to interpret experimental data and guide the design of future research. Our investigation focuses on the interrelation among the three main mechanisms by which enantioselectivity can be bestowed to heterogeneous catalysts, namely: (1) by templating chirality via the adsorption of chiral supramolecular assemblies, (2) by using chiral modifiers capable of forming chiral complexes with the reactant and force enantioselective surface reactions, and (3) by forming naturally chiral surfaces using imprinting chiral agents. Individually, the members of our team are leaders in these various aspects of chiral catalysis, but the present program provides the vehicle to generate and exploit the synergies necessary to address the problem in a comprehensive manner. Our initial work has advanced the methodology needed for these studies, including an enantioselective titration procedure to identify surface chiral sites, infrared spectroscopy in situ at the interface between gases or liquids and solids to mimic realistic catalytic conditions, and DFT and Monte Carlo algorithms to simulate and understand chirality on surfaces. The next step, to be funded by the monies requested in this proposal, is to apply those methods to specific problems in chiral catalysis, including the identification of the requirements for the formation of supramolecular surface structures with enantioselective behavior, the search for better molecules to probe the chiral nature of the modified surfaces, the exploration of the transition from supramolecular to one-to-one chiral modification, the correlation of the adsorption characteristics of one-to-one chiral modifiers with their physical properties, in particular with their configuration

  16. 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.

  17. Inverse Magnetic/Shear Catalysis

    CERN Document Server

    McInnes, Brett

    2015-01-01

    It is well known that very large magnetic fields are generated when the Quark-Gluon Plasma is formed during peripheral heavy-ion collisions. Lattice, holographic, and other studies strongly suggest that these fields may, for observationally relevant field values, induce ``inverse magnetic catalysis'', signalled by a lowering of the critical temperature for the chiral/deconfinement transition. The theoretical basis of this effect has recently attracted much attention; yet so far these investigations have not included another, equally dramatic consequence of the peripheral collision geometry: the QGP acquires a large angular momentum vector, parallel to the magnetic field. Here we use holographic techniques to argue that the angular momentum can also, independently, have an effect on transition temperatures, and we obtain a rough estimate of the relative effects of the presence of both a magnetic field and an angular momentum density. We find that the shearing angular momentum reinforces the effect of the magne...

  18. Nanocrystal assembly for tandem catalysis

    Science.gov (United States)

    Yang, Peidong; Somorjai, Gabor; Yamada, Yusuke; Tsung, Chia-Kuang; Huang, Wenyu

    2014-10-14

    The present invention provides a nanocrystal tandem catalyst comprising at least two metal-metal oxide interfaces for the catalysis of sequential reactions. One embodiment utilizes a nanocrystal bilayer structure formed by assembling sub-10 nm platinum and cerium oxide nanocube monolayers on a silica substrate. The two distinct metal-metal oxide interfaces, CeO.sub.2--Pt and Pt--SiO.sub.2, can be used to catalyze two distinct sequential reactions. The CeO.sub.2--Pt interface catalyzed methanol decomposition to produce CO and H.sub.2, which were then subsequently used for ethylene hydroformylation catalyzed by the nearby Pt--SiO.sub.2 interface. Consequently, propanal was selectively produced on this nanocrystal bilayer tandem catalyst.

  19. Palladium catalysis for energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Pfefferle, L. D.; Datye, Abhaya

    2001-03-01

    Palladium (Pd) is an attractive catalyst for a range of new combustion applications comprising primary new technologies for future industrial energy needs, including gas turbine catalytic combustion, auto exhaust catalysts, heating and fuel cells. Pd poses particular challenges because it changes both chemical state and morphology as a function of temperature and reactant environment and those changes result in positive and negative changes in activity. Interactions with the support, additives, water, and contaminants as well as carbon formation have also been observed to affect Pd catalyst performance. This report describes the results of a 3.5 year project that resolves some of the conflicting reports in the literature about the performance of Pd-based catalysis.

  20. Magnetic Catalysis vs Magnetic Inhibition

    CERN Document Server

    Fukushima, Kenji

    2012-01-01

    We discuss the fate of chiral symmetry in an extremely strong magnetic field B. We investigate not only quark fluctuations but also neutral meson effects. The former would enhance the chiral-symmetry breaking at finite B according to the Magnetic Catalysis, while the latter would suppress the chiral condensate once B exceeds the scale of the hadron structure. Using a chiral model we demonstrate how neutral mesons are subject to the dimensional reduction and the low dimensionality favors the chiral-symmetric phase. We point out that this effect, the Magnetic Inhibition, can be a feasible explanation for recent lattice-QCD data indicating the decreasing behavior of the chiral-restoration temperature with increasing B.

  1. Catalysis in Molten Ionic Media

    DEFF Research Database (Denmark)

    Boghosian, Soghomon; Fehrmann, Rasmus

    2013-01-01

    identified easily. It has been shown that the melt consists of vanadium oxosulfato complexes in the oxidation states III-V in an alkali pyrosulfate solvent. However, many basic data for alkali pyrosulfates and oxosulfato vanadates have turned out to be either nonexisting or unreliable. As a result, the...... of vanadium compounds, of which the majority are identified as catalyst deactivation products; and (v) studies of molecular structure and catalytic activity. Finally, the reaction mechanism is highlighted, which represents the state of the art of that catalytic process by 2013. © 2013 Elsevier Inc......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. The...

  2. Surface science and heterogeneous catalysis

    International Nuclear Information System (INIS)

    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

  3. 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...

  4. Mozart Effect: Sound Beginnings? Infants and Toddlers.

    Science.gov (United States)

    Caulfield, Rick

    1999-01-01

    Notes that outcomes of the "Mozart Effect" on early brain development are not thoroughly proven and presents challenges for future research. Points out that it is still unknown at what age exposure to musical concepts should begin, and that parents should allow children to pursue musical interests at their own pace to avoid burnout at a young age.…

  5. Improving Beginning First Graders' Reading Strategies.

    Science.gov (United States)

    Baumgart, Arlene

    An action research project described a program for teaching students beginning reading strategies that will help them to become independent readers. The targeted population consisted of first grade elementary students in a growing middle class community located in a suburb of a large metropolitan area in the Midwest. The problems of beginning…

  6. Surface- and Tip-Enhanced Raman Spectroscopy as Operando Probes for Monitoring and Understanding Heterogeneous Catalysis

    OpenAIRE

    Harvey, Clare E.; Weckhuysen, Bert M.

    2014-01-01

    Abstract Surface-enhanced Raman spectroscopy (SERS) and tip-enhanced Raman spectroscopy (TERS) were until recently limited in their applicability to the majority of heterogeneous catalytic reactions. Recent developments begin to resolve the conflicting experimental requirements for SERS and TERS on the one hand, and heterogeneous catalysis on the other hand. This article discusses the development and use of SERS and TERS to study heterogeneous catalytic reactions, and the exciting possibiliti...

  7. Selective Homogeneous Catalysis in Asymmetric Synthesis

    DEFF Research Database (Denmark)

    Fristrup, Peter

    thorough computational study succeeded in explaining the observed results, although other significant results were also obtained during this study. Finally, an intramolecular reaction was studied computationally, and the rate increase observed under phase transfer catalysis conditions could be related...

  8. Biomimetic catalysis: Taking on the turnover challenge

    Science.gov (United States)

    Hooley, Richard J.

    2016-03-01

    Emulating the efficiency with which enzymes catalyse reactions has often been used as inspiration to develop self-assembled cages. Now two studies present approaches to achieving catalyst turnover -- one of the biggest challenges in achieving truly biomimetic catalysis.

  9. A Course in Kinetics and Catalysis.

    Science.gov (United States)

    Bartholomew, C. H.

    1981-01-01

    Describes a one-semester, three-credit hour course integrating the fundamentals of kinetics and the scientific/engineering principles of heterogeneous catalysis. Includes course outline, list of texts, background readings, and topical journal articles. (SK)

  10. Theory of laser catalysis with pulses

    CERN Document Server

    Vardi, A

    2001-01-01

    The possibility of accelerating molecular reactions by lasers has attracted considerable theoretical and experimental interest. A particular example of laser-modified reaction dynamics is laser catalysis, a process in which the tunneling through a potential barrier is enhanced by transient excitation to a bound electronic state. We have performed detailed calculations of pulsed laser catalysis on one- and two-dimensional potentials, as a function of the reactants' collision energy and the laser's central frequency. In agreement with previous CW results, the reactive lineshapes are Fano-type curves, resulting from interference between nonradiative tunneling and the optically assisted pathway. In contrast to the CW process, the power requirements of pulsed laser catalysis are well within the reach of commonly used pulsed laser sources, making an experimental realization possible. The laser catalysis scenario is shown to be equivalent in the ``dressed'' state picture, to resonant tunneling through a double-barri...

  11. Organometallic catalysis: some contributions to organic synthesis

    Directory of Open Access Journals (Sweden)

    Gusevskaya Elena V.

    2003-01-01

    Full Text Available In the present paper some general aspects of metal complex catalysis and its applications for oxyfunctionalization of various olefins, including naturally occurring ones, via selective oxidation, hydroformylation and alkoxycarbonylation are discussed.

  12. Sucrose Inversion An Experiment on Heterogeneous Catalysis

    OpenAIRE

    Adélio Mendes; Magalhães, Fernão D.; Luis M. Madeira

    2003-01-01

    llustration of heterogeneous catalysis concepts in laboratory courses is not usually simple or economical. For our undergraduate senior lab course we have developed an environmentally friendly experiment dealing with several aspects of heterogeneous catalysis, having in mind the use of readily available and relatively inexpensive equipment, and chemicals on a compact setup, which students can safely operate. The experiment deals with the acid-catalyzed sucrose inversion, performed in packed b...

  13. ELECTROCHEMICAL PROMOTED CATALYSIS: TOWARDS PRACTICAL UTILIZATION

    OpenAIRE

    DIMITRIOS TSIPLAKIDES; STELLA BALOMENOU

    2008-01-01

    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 survey...

  14. Applications of Chiral Anions in Asymmetric Catalysis

    OpenAIRE

    Hamilton, Gregory Lawrence

    2011-01-01

    The synthesis of molecules with control over their three-dimensional configuration, known as absolute stereochemistry, is one of the highest goals of synthetic organic chemists. As is so often the case, we strive to reach the facility and efficiency with which Nature achieves this goal. Fortunately, the chemist's imagination allows us to envision nearly unlimited possibilities for new modes of catalysis. In this dissertation, I discuss one branch of asymmetric catalysis that has in a short ti...

  15. Beginnings

    Directory of Open Access Journals (Sweden)

    H.P. MINSKY

    2013-12-01

    Full Text Available The paper is a contribution to a series of recollections and reflections on the professional experiences of distinguished economists which the Banca Nazionale del Lavoro Quarterly Review started in 1979. In it Hyman Minsky offers a retrospective on his academic career and intellectual development.

  16. Inverse magnetic/shear catalysis

    Science.gov (United States)

    McInnes, Brett

    2016-05-01

    It is well known that very large magnetic fields are generated when the Quark-Gluon Plasma is formed during peripheral heavy-ion collisions. Lattice, holographic, and other studies strongly suggest that these fields may, for observationally relevant field values, induce "inverse magnetic catalysis", signalled by a lowering of the critical temperature for the chiral/deconfinement transition. The theoretical basis of this effect has recently attracted much attention; yet so far these investigations have not included another, equally dramatic consequence of the peripheral collision geometry: the QGP acquires a large angular momentum vector, parallel to the magnetic field. Here we use holographic techniques to argue that the angular momentum can also, independently, have an effect on transition temperatures, and we obtain a rough estimate of the relative effects of the presence of both a magnetic field and an angular momentum density. We find that the shearing angular momentum reinforces the effect of the magnetic field at low values of the baryonic chemical potential, but that it can actually decrease that effect at high chemical potentials.

  17. 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.

  18. 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

  19. Catalysis-by-design impacts assessment

    Energy Technology Data Exchange (ETDEWEB)

    Fassbender, L L; Young, J K [Pacific Northwest Lab., Richland, WA (USA); Sen, R K [Sen (R.K.) and Associates, Washington, DC (USA)

    1991-05-01

    Catalyst researchers have always recognized the need to develop a detailed understanding of the mechanisms of catalytic processes, and have hoped that it would lead to developing a theoretical predictive base to guide the search for new catalysts. This understanding allows one to develop a set of hierarchical models, from fundamental atomic-level ab-initio models to detailed engineering simulations of reactor systems, to direct the search for optimized, efficient catalyst systems. During the last two decades, the explosions of advanced surface analysis techniques have helped considerably to develop the building blocks for understanding various catalytic reactions. An effort to couple these theoretical and experimental advances to develop a set of hierarchical models to predict the nature of catalytic materials is a program entitled Catalysis-by-Design (CRD).'' In assessing the potential impacts of CBD on US industry, the key point to remember is that the value of the program lies in developing a novel methodology to search for new catalyst systems. Industrial researchers can then use this methodology to develop proprietary catalysts. Most companies involved in catalyst R D have two types of ongoing projects. The first type, what we call market-driven R D,'' are projects that support and improve upon a company's existing product lines. Project of the second type, technology-driven R D,'' are longer term, involve the development of totally new catalysts, and are initiated through scientists' research ideas. The CBD approach will impact both types of projects. However, this analysis indicates that the near-term impacts will be on market-driven'' projects. The conclusions and recommendations presented in this report were obtained by the authors through personal interviews with individuals involved in a variety of industrial catalyst development programs and through the three CBD workshops held in the summer of 1989. 34 refs., 7 figs., 7 tabs.

  20. Photoredox catalysis by [Ru(bpy)3]2+ to trigger transformations of organic molecules. Organic synthesis using visible-light photocatalysis and its 20th century roots

    Czech Academy of Sciences Publication Activity Database

    Teplý, Filip

    2011-01-01

    Roč. 76, č. 7 (2011), s. 859-917. ISSN 0010-0765 R&D Projects: GA ČR GAP207/10/2391 Institutional research plan: CEZ:AV0Z40550506 Keywords : Ruthenium complexes * catalysis with dyes * visible light photoredox catalysis * photocatalysis * review Subject RIV: CC - Organic Chemistry Impact factor: 1.283, year: 2011

  1. 初涉科研工作研究思路如何展开的回顾%A retrospect on the formation of research ideas at the beginning of research

    Institute of Scientific and Technical Information of China (English)

    张东海

    2013-01-01

    The purpose was to helps and inspire clinical research beginners on how to identify research directions and topics that are linked with clinical work.Based on a research project,this paper reviewed how the author started the ideas of the research,selected and set research directions,and established specific goals.%本文以初期从事一项科研课题举例,介绍了作者在课题立项、选择与确立研究方向、确立具体目标的过程中思路是如何展开的,目的是试图为初期从事科研工作的临床医生提供帮助,即如何密切联系工作实际选择课题,以及科研课题将来的实用化.

  2. Beginning WordPress 3

    CERN Document Server

    Leary, Stephanie

    2009-01-01

    One of the most popular open source blogging and content management systems, WordPress lets you create a website to promote yourself or your business quickly and easilyi' "and better yet, it's free. WordPress is a flexible, user-friendly system, and it can be extended with a variety of themes and plugins. Beginning WordPress 3 is a complete guide for the beginning developer who wants to start using WordPress. You'll learn how to publish and manage online content, add media, create widgets and plugins, and much more. What you'll learn * How to get started with Wordpress, create new content

  3. [An analysis of the Ministry of Health of Brazil investments in research and development between 2000-2002: a base line towards future valuations beginning with the implementation of the National Health Research Priority Agenda].

    Science.gov (United States)

    Caetano, Rosângela; Vianna, Cid Manso de Mello; Sampaio, Mariana Miranda Autran; da Silva, Rondineli Mendes; Rodrigues, Rodolfo Rego Deusdará

    2010-07-01

    The aim of this paper is to examine the Ministry of Health of Brazil investments in research and development in health (R&D/H) between the years of 2000-2002, trying to contrast them with the items of the National Health Research Priority Agenda, in order to attempt a base line that makes capable future evaluations on the inductor role. The data was collected by a research carried out with the main goal of measure resources invested in R&D/H in the country on the period, considering only the Ministry of Health investments. The researches were independently categorized by 2 researchers based on 24 subdivisions which compose the Agenda. The amount of the resources invested by the Ministry of Health on the period was of R$ 199.3 millions. Most of the expense was related to researches in transmittable diseases (31.5%), followed by systems and policies in health (16.3%) and communication and information in health (8.6%). Conditions that represent a substantial disease burden (non transmittable diseases, mental health, violence, accidents and traumas, elderly person health) received relative small amount of resource. The work establishes a starting point from which managers of scientific and technological policy may assess the progressive influence of the Agenda and the reduction of the identified imbalances. PMID:20694326

  4. 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.

  5. Charge Transfer and Catalysis at the Metal Support Interface

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Lawrence Robert [Univ. of California, Berkeley, CA (United States)

    2012-07-31

    Kinetic, electronic, and spectroscopic characterization of model Pt–support systems are used to demonstrate the relationship between charge transfer and catalytic activity and selectivity. The results show that charge flow controls the activity and selectivity of supported metal catalysts. This dissertation builds on extensive existing knowledge of metal–support interactions in heterogeneous catalysis. The results show the prominent role of charge transfer at catalytic interfaces to determine catalytic activity and selectivity. Further, this research demonstrates the possibility of selectively driving catalytic chemistry by controlling charge flow and presents solid-state devices and doped supports as novel methods for obtaining electronic control over catalytic reaction kinetics.

  6. On the Way of Setting up Research Team of Teaching and Research University at the Beginning%教学研究型大学初期科研团队组建办法研究

    Institute of Scientific and Technical Information of China (English)

    邹铁方; 刘朱紫; 李岳林; 杜荣华

    2012-01-01

    Early teaching and research university research team building process by analyzing the research direction is not clear,the lack of funds,lack of appeal of academic leaders,and is difficult to confirm the attribution of scientific research and other issues,on this basis,further pointed out that from the threepronged approach to solve these problems:hospital,school resources to tilt to the research team has practical value and scientific value and the ability to make full use of existing resources to determine the direction of team research,and academic leaders established by internal potential combination with the introduction of talent;solve the attribution of scientific research in order to accelerate the formation of the research team,and to a certain extent;give full play to the graduate linking role,gave birth to the team of research results,promote the interdisciplinary team research direction of integration.%通过分析发现教学研究型大学初期科研团队组建过程中存在研究方向不明确、经费缺乏、缺乏有号召力的学术带头人以及科研成果的归属难以确认等问题,在此基础上进一步指出可从三个方面入手解决这些问题:以是否具有实用价值与科研价值及能否充分利用已有资源确定团队研究方向,然后通过内部挖潜与引进人才相结合确立学术带头人;通过院、校资源向科研团队倾斜,以加速科研团队的形成,并一定程度上解决科研成果的归属问题;充分发挥研究生纽带作用,孕育团队科研成果,促进学科交叉与团队研究方向的融合。

  7. Geometrically induced magnetic catalysis and critical dimensions

    CERN Document Server

    Flachi, Antonino; Vitagliano, Vincenzo

    2015-01-01

    We discuss the combined effect of magnetic fields and geometry in interacting fermionic systems. At leading order in the heat-kernel expansion, the infrared singularity (that in flat space leads to the magnetic catalysis) is regulated by the chiral gap effect and the catalysis is deactivated by effect of the curvature. We discover that an infrared singularity may reappear from higher-order terms in the heat kernel expansion leading to a novel form of geometrically induced magnetic catalysis (absent in flat space). The dynamical mass squared is then modified not only due to the chiral gap effect by an amount proportional to the curvature, but also by a magnetic shift $\\propto (4-D)eB$ where $D$ represents the number of space-time dimensions. We argue that $D=4$ is a critical dimension across which the behaviour of the magnetic shift changes qualitatively.

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

    International Nuclear Information System (INIS)

    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) ∝ lν and the catalysis-fragmentation rate kernel F(i,j;l) ∝ lμ, 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 ak(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 ak(t) obeys a modified scaling law. (cross-disciplinary physics and related areas of science and technology)

  9. Great Expectations and New Beginnings

    Science.gov (United States)

    Davis, Frances A.

    2009-01-01

    Great Expectation and New Beginnings is a prenatal family support program run by the Family, Infant, and Preschool Program (FIPP) in North Carolina. FIPP has developed an evidence-based integrated framework of early childhood intervention and family support that includes three primary components: providing intervention in everyday family…

  10. In the beginning was information

    CERN Document Server

    Gitt, Werner, Dr

    2006-01-01

    Information is the cornerstone of life, yet it is something people don't often think about. In his fascinating new book, In the Beginning Was Information, Dr. Werner Gitt helps the reader see how the very presence of information reveals a Designer.

  11. 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...

  12. Catalysis by ceria and related materials

    CERN Document Server

    Trovarelli, Alessandro

    2002-01-01

    The use of CeO2-based materials in catalysis has attracted considerable attention in recent years, particularly in applications like environmental catalysis, where ceria has shown great potential. This book critically reviews the most recent advances in the field, with the focus on both fundamental and applied issues. The first few chapters cover structural and chemical properties of ceria and related materials, i.e. phase stability, reduction behaviour, synthesis, interaction with probe molecules (CO, O2, NO), and metal-support interaction - all presented from the viewpoint of catalytic appl

  13. Bioinspired catalysis metal-sulfur complexes

    CERN Document Server

    Weigand, Wolfgang

    2014-01-01

    The growing interest in green chemistry calls for new, efficient and cheap catalysts. Living organisms contain a wide range of remarkably powerful enzymes, which can be imitated by chemists in the search for new catalysts. In bioinspired catalysis, chemists use the basic principles of biological enzymes when creating new catalyst analogues. In this book, an international group of experts cover the topic from theoretical aspects to applications by including a wide variety of examples of different systems. This valuable overview of bioinspired metal-sulfur catalysis is a must-have for all sci

  14. 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

  15. 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

  16. 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

  17. Catalysis by ceria and related materials

    CERN Document Server

    Trovarelli, Alessandro

    2013-01-01

    This book follows the 2002 edition of Catalysis by Ceria and Related Materials, which was the first book entirely devoted to ceria and its catalytic properties. In the ten years since the first edition a massive amount of work has been carried out in the field, and ceria has gained a prominent position in catalysis as one of the most valuable material for several applications. This second edition covers fundamental and applied aspects of the latest advances in ceria-based materials with a special focus on structural, redox and catalytic features. Special emphasis is given to nano-engineered an

  18. RNA catalysis and the origins of life

    Science.gov (United States)

    Orgel, Leslie E.

    1986-01-01

    The role of RNA catalysis in the origins of life is considered in connection with the discovery of riboszymes, which are RNA molecules that catalyze sequence-specific hydrolysis and transesterification reactions of RNA substrates. Due to this discovery, theories positing protein-free replication as preceding the appearance of the genetic code are more plausible. The scope of RNA catalysis in biology and chemistry is discussed, and it is noted that the development of methods to select (or predict) RNA sequences with preassigned catalytic functions would be a major contribution to the study of life's origins.

  19. Holographic monopole catalysis of baryon decay

    International Nuclear Information System (INIS)

    We study how monopole catalysis of baryon decay is realized in holographic QCD. Physics of monopole catalysis becomes much simpler in holographic description as it occurs due to the violation of the Bianchi identity for the 5D gauge symmetry when magnetic monopole is present. In holographic QCD we find a unified picture of the baryon number violation under magnetic monopole or electroweak sphaleron, giving a new mechanism of baryon number violation. We also embed our set-up in the string theory model by Sakai and Sugimoto. (author)

  20. A competitive and reversible deactivation approach to catalysis-based quantitative assays.

    Science.gov (United States)

    Koide, Kazunori; Tracey, Matthew P; Bu, Xiaodong; Jo, Junyong; Williams, Michael J; Welch, Christopher J

    2016-01-01

    Catalysis-based signal amplification makes optical assays highly sensitive and widely useful in chemical and biochemical research. However, assays must be fine-tuned to avoid signal saturation, substrate depletion and nonlinear performance. Furthermore, once stopped, such assays cannot be restarted, limiting the dynamic range to two orders of magnitude with respect to analyte concentrations. In addition, abundant analytes are difficult to quantify under catalytic conditions due to rapid signal saturation. Herein, we report an approach in which a catalytic reaction competes with a concomitant inactivation of the catalyst or consumption of a reagent required for signal generation. As such, signal generation proceeds for a limited time, then autonomously and reversibly stalls. In two catalysis-based assays, we demonstrate restarting autonomously stalled reactions, enabling accurate measurement over five orders of magnitude, including analyte levels above substrate concentration. This indicates that the dynamic range of catalysis-based assays can be significantly broadened through competitive and reversible deactivation. PMID:26891765

  1. From the beginning of radon therapy

    International Nuclear Information System (INIS)

    The revival of the radon therapy in several countries since the end of the Second World War was the occasion for a review to the beginnings of this special form of radiotherapy. Initially the early history of radioactivity research is described which among others led to the detection of the emanation as a daughter product of radium. After this followed the evidence of the emanation as a constituent of the natural atmosphere. The establishment of its presence in spring-waters led to the knowledge that there are more than average concentrations of emanation in several mineral springs. In the second part of the article the therapeutic use of the natural radon springs initiated by this is described in its development and importance for Austria (Badgastein, St. Joachimsthal) and Germany (Bad Brambach) up to the beginning of the First World War. (author)

  2. Center for Catalysis at Iowa State University

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, George A.

    2006-10-17

    The overall objective of this proposal is to enable Iowa State University to establish a Center that enjoys world-class stature and eventually enhances the economy through the transfer of innovation from the laboratory to the marketplace. The funds have been used to support experimental proposals from interdisciplinary research teams in areas related to catalysis and green chemistry. Specific focus areas included: • Catalytic conversion of renewable natural resources to industrial materials • Development of new catalysts for the oxidation or reduction of commodity chemicals • Use of enzymes and microorganisms in biocatalysis • Development of new, environmentally friendly reactions of industrial importance These focus areas intersect with barriers from the MYTP draft document. Specifically, section 2.4.3.1 Processing and Conversion has a list of bulleted items under Improved Chemical Conversions that includes new hydrogenation catalysts, milder oxidation catalysts, new catalysts for dehydration and selective bond cleavage catalysts. Specifically, the four sections are: 1. Catalyst development (7.4.12.A) 2. Conversion of glycerol (7.4.12.B) 3. Conversion of biodiesel (7.4.12.C) 4. Glucose from starch (7.4.12.D) All funded projects are part of a soybean or corn biorefinery. Two funded projects that have made significant progress toward goals of the MYTP draft document are: Catalysts to convert feedstocks with high fatty acid content to biodiesel (Kraus, Lin, Verkade) and Conversion of Glycerol into 1,3-Propanediol (Lin, Kraus). Currently, biodiesel is prepared using homogeneous base catalysis. However, as producers look for feedstocks other than soybean oil, such as waste restaurant oils and rendered animal fats, they have observed a large amount of free fatty acids contained in the feedstocks. Free fatty acids cannot be converted into biodiesel using homogeneous base-mediated processes. The CCAT catalyst system offers an integrated and cooperative catalytic

  3. µ-reactors for Heterogeneous Catalysis

    DEFF Research Database (Denmark)

    Jensen, Robert

    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 as the...

  4. Diffusion and Surface Reaction in Heterogeneous Catalysis

    Science.gov (United States)

    Baiker, A.; Richarz, W.

    1978-01-01

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

  5. Biodiesel forming reactions using heterogeneous catalysis

    Science.gov (United States)

    Liu, Yijun

    other comparisons between the catalytic behaviors of liquid and solid acids suggests a common mode of operation of their Bronsted acid sites in carrying out esterification of a carboxylic acid with alcohol. The hypothesized Eley-Rideal type heterogeneous reaction mechanism involving a nucleophilic attack between adsorbed carboxylic acid and unadsorbed alcohol as the rate-limiting step was found to fit well the experimental observations and successfully predict the esterification rate obtained with SAC-13 as reaction progresses. The SAC-13 catalysis assay was also extended to carboxylic acids of higher molecular weights. A set of carboxylic acids with various alkyl chain lengths was used to investigate the structural effect of reacting carboxylic acids on heterogeneous catalyzed esterification. It was found that the reactivity of carboxylic acids was controlled by steric factors as the alkyl chain linearly lengthened. Despite their increased hydrophobicity, large carboxylic acids hardly impacted the deactivating effect of water on Bronsted acid sites. However, catalyst reusability and regeneration showed significant dependency on the size of the carboxylic acid used. With the use of larger reacting carboxylic acids, SAC-13 underwent more significant activity loss in consecutive reaction cycles due to stronger adsorption of the larger organics in the polymeric domains of the Nafion resin. In parallel to the research activity on acid catalyzed esterification, the use of strong solid bases with organic functionality (quarternary ammonium, QN+) was investigated from a fundamental perspective. Using triacetin as a model compound for TG molecules, the effectiveness of this Bronsted base functionality in transesterification was demonstrated even at mild reaction conditions. But its catalytic behavior including catalyst selectivity and deactivation was significantly affected by the nature of the adopted support. A purposive design of the immobilizing matrix is expected to

  6. 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.

  7. Beginning Silverlight 4 in C#

    CERN Document Server

    Lair, Robert L

    2010-01-01

    The growing popularity of Web 2.0 applications is increasing user expectations for high-quality web site design, presentation, and functionality. It is into this climate that Microsoft is releasing Silverlight 4, the third and latest iteration of its cross-browser web presentation technology. Beginning Sliverlight 4 brings you to the cutting-edge of Web 2.0 application design and includes plenty of practical guidance to get you started straightaway. Silverlight design tools have important differences compared to those used to create Ajax and JavaScript functionality. Robert Lair takes you on a

  8. Beginning RPG Maker VX Ace

    CERN Document Server

    Perez, Darrin

    2014-01-01

    Beginning RPG Maker VX Ace takes you through the process of using the RPG Maker VX Ace game development engine to create your very own role playing game. The book has been designed with the complete beginner in mind who has little to no experience with the engine. Tutorials and exercises will take you from installing the software to putting the final touches upon your first project. Game design can be quite a daunting challenge, as it generally involves a large amount of programming know-how on top of having to plan everything out that makes a good game what it is. RPG Maker VX Ace

  9. Beginning SQL Server 2008 Administration

    CERN Document Server

    Walters, R

    2009-01-01

    Beginning SQL Server 2008 Administration is essential for anyone wishing to learn about implementing and managing SQL Server 2008 database. From college students, to experienced database administrators from other platforms, to those already familiar with SQL Server and wanting to fill in some gaps of knowledge, this book will bring all readers up to speed on the enterprise platform Microsoft SQL Server 2008. * Clearly describes relational database concepts* Explains the SQL Server database engine and supporting tools* Shows various database maintenance scenarios What you'll learn* Understand c

  10. Beginning Windows 8.1

    CERN Document Server

    Halsey, Mike

    2013-01-01

    Windows 8 has been described by Microsoft as its 'boldest' Windows release ever and the 8.1 update enhances the paradigm further. Beginning Windows 8.1 takes you through the new features and helps you get more out of the familiar to reveal the fullest possibilities for this amazing new operating system. You will learn, with non-technical language used throughout, how to get up and running in the new Windows interface, minimize downtime, maximize productivity, and harness the features you never knew existed to take control of your computer and enjoy the peace of mind and excitement that comes w

  11. The End and the Beginning

    OpenAIRE

    Mühlen, Hermynia Zur; Gossman, Lionel

    2013-01-01

    First published in Germany in 1929, The End and the Beginning is a memoir of a rebellious young woman’s struggle to achieve independence. Born in 1883 into a wealthy aristocratic family of the old Austro-Hungarian Empire, Hermynia Zur Mühlen spent much of her childhood travelling in Europe and North Africa with her diplomat father. After five years on her German husband’s estate in czarist Russia she broke with both her family and her husband and set out on a precarious career as a profession...

  12. Rehabilitation Idea Begins at Sumers

    OpenAIRE

    Sumerians, The idea of rehabilitation began with th

    2013-01-01

    of the long-lasting fight by PWD and their families and friends in the West (3), in this letter, we wanted to visualize that the human mind in Mesopotamia (3–4000 BC) has been simply enough to recognize real goodness (in Turkish, “erdem”) (5). Since Sumer was the first civilization to use a writing system and initiated many other contemporary social institutions, Kramer pronounced that history begins with the Sumerians (7). This legend shows that the contemporary rehabilitation idea a...

  13. Engineering drawing from the beginning

    CERN Document Server

    Cousins, M F

    1970-01-01

    Engineering Drawing from the Beginning, Volume 2 discusses the methods for communicating technical engineering concepts through illustrations and drawings. This volume covers the more advance techniques in engineering drawing. The coverage of the text includes the helix, which is the path traced by a point moving uniformly around the surface of a right cylinder that is moving axially. The book also covers drawings of solid objects such as prisms, pyramids, and cones, along with hollow objects made from sheet material. In Chapter 5, the text presents the conventional representations of common

  14. Beginning Django E-Commerce

    CERN Document Server

    McGaw, James

    2009-01-01

    Beginning Django E-Commerce guides you through producing an e-commerce site using Django, the most popular Python web development framework. Topics covered include how to make a shopping cart, a checkout, and a payment processor; how to make the most of Ajax; and search engine optimization best practices. Throughout the book, you'll take each topic and apply it to build a single example site, and all the while you'll learn the theory behind what you're architecting. * Build a fully functional e-commerce site. * Learn to architect your site properly to survive in an increasingly competitive onl

  15. Beginning AutoCAD 2005

    CERN Document Server

    McFarlane, Bob

    2005-01-01

    Beginning AutoCAD 2005 is a course based on learning and practising the essentials of 2D drawing using AutoCAD. Bob McFarlane's hands-on approach is uniquely suited to independent learning and use on courses. The focus on 2D drawing in one book, ensures the reader gets a thorough grounding in the subject, with a greater depth of coverage than tends to be available from general introductions to AutoCAD. As a result, this book provides a true, step-by-step, detailed exploration of the AutoCAD functions required at each stage of producing a 2D drawing - an approach often

  16. Beginning with the Goldman Report

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    @@ Lin: In October 2003, U.S. Goldman Sachs Group. Inc. issued a report entitled "Dreaming with BRICs: The Path to 2050" that evoked huge response in the world. What interest us are not only the BRICs phenomenon, but also China on the list of BRICs. The report made high-sounding prediction of the economic prospects of Brazil, Russia and India. Its predict of China's economic prospect is also interesting. Therefore we attach importance to the report and conclusion thereof. Today we will hold a discussion on the report. Now let us begin our discussion.

  17. 21st century beginning clarinet method /

    OpenAIRE

    Warren, Ariana

    2014-01-01

    Following is the concept and content for a holistic clarinet method. Prior research of current in print and available in the United States clarinet methods revealed several gaps in the material taught. All of them had a focus on music literacy, while few had a focus on musical creativity, and none of them had a focus on aural skills. As a beginning student, I feel I would have greatly benefitted from my methods and teachers having a greater focus on the creative aspect of music making, and on...

  18. The beginning of uranium production in Estonia

    International Nuclear Information System (INIS)

    Large amounts of uranium available in the Estonian black alum (Dictyonema) shale created intense interest towards this low-grade ore in the very beginning of the atomic era. Various selective leaching and concentration technologies were tried with both roasted and native shale, at first at the Narva Pilot Plant and thereafter at the Sillamaee. Even though most of the USSR leading research and development centers participated in this effort, industrial uranium production turned out to be both technologically possible, but at the same time economically untenable at this time, just as it was the case in Sweden. (author)

  19. Redox Catalysis over Metallo-Zeolites. Contribution to Environmental Catalysis

    Czech Academy of Sciences Publication Activity Database

    Wichterlová, Blanka; Sobalík, Zdeněk; Dědeček, Jiří

    2003-01-01

    Roč. 41, - (2003), s. 97-114. ISSN 0926-3373 R&D Projects: GA AV ČR IBS4040016; GA AV ČR IAA4040007 Institutional research plan: CEZ:AV0Z4040901 Keywords : metallo-zeolites * Co-beta * Fe-ZSM-5 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.476, year: 2003

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

    DEFF Research Database (Denmark)

    Hanning, Christopher William

    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...... 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...

  1. 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.

  2. Inverse magnetic catalysis in dense holographic matter

    CERN Document Server

    Preis, Florian; Schmitt, Andreas

    2010-01-01

    We study the chiral phase transition in a magnetic field at finite temperature and chemical potential within the Sakai-Sugimoto model, a holographic top-down approach to (large-N_c) QCD. We consider the limit of a small separation of the flavor D8-branes, which corresponds to a dual field theory comparable to a Nambu-Jona Lasinio (NJL) model. Mapping out the surface of the chiral phase transition in the parameter space of magnetic field strength, quark chemical potential, and temperature, we find that for small temperatures the addition of a magnetic field decreases the critical chemical potential for chiral symmetry restoration - in contrast to the case of vanishing chemical potential where, in accordance with the familiar phenomenon of magnetic catalysis, the magnetic field favors the chirally broken phase. This "inverse magnetic catalysis" (IMC) appears to be associated with a previously found magnetic phase transition within the chirally symmetric phase that shows an intriguing similarity to a transition ...

  3. 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 catalyt...... performance, i.e. activity and selectivity, as well as stability of the SILP catalysts. Noticeably, a high catalyst ligand content together with presence of ionic liquid solvent are prerequisites for obtaining selective rhodium phosphine SILP catalysts systems.......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...

  4. Beginning of Viniculture in France

    Science.gov (United States)

    McGovern, Patrick E.; Luley, Benjamin P.; Rovira, Nuria; Mirzoian, Armen; Callahan, Michael P.; Smith, Karen F.; Hall, Gretchen R.; Davidson, Theodore; Henkin, Joshua M.

    2013-01-01

    Chemical analyses of ancient organic compounds absorbed into the pottery fabrics of imported Etruscan amphoras (ca. 500-475 B.C.) and into a limestone pressing platform (ca. 425-400 B.C.) at the ancient coastal port site of Lattara in southern France provide the earliest biomolecular archaeological evidence for grape wine and viniculture from this country, which is crucial to the later history of wine in Europe and the rest of the world. The data support the hypothesis that export of wine by ship from Etruria in central Italy to southern Mediterranean France fueled an ever-growing market and interest in wine there, which, in turn, as evidenced by the winepress, led to transplantation of the Eurasian grapevine and the beginning of a Celtic industry in France. Herbal and pine resin additives to the Etruscan wine point to the medicinal role of wine in antiquity, as well as a means of preserving it during marine transport.

  5. Spatially Assisted Schwinger Mechanism and Magnetic Catalysis

    CERN Document Server

    Copinger, Patrick

    2016-01-01

    Using the worldline formalism we compute an effective action for fermions under a temporally modulated electric field and a spatially modulated magnetic field. It is known that the former leads to an enhanced Schwinger Mechanism, while we find that the latter can also result in enhanced particle production and even cause a reorganization of the vacuum to acquire a larger dynamical mass in equilibrium which spatially assists the Magnetic Catalysis.

  6. 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

  7. 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.

  8. Bimetallic Redox Synergy in Oxidative Palladium Catalysis

    OpenAIRE

    Powers, David Charles; Ritter, Tobias

    2012-01-01

    Polynuclear transition metal complexes, which are embedded in the active sites of many metalloenzymes, are responsible for effecting a diverse array of oxidation reactions in nature. The range of chemical transformations remains unparalleled in the laboratory. With few noteworthy exceptions, chemists have primarily focused on mononuclear transition metal complexes in developing homogeneous catalysis. Our group is interested in the development of carbon–heteroatom bond-forming reactions, wi...

  9. Metal-Free Catalysis for Efficient Synthesis

    OpenAIRE

    Bah, Juho

    2014-01-01

    The strength of efficient metal-free catalysis will be examined in this thesis. Efforts towards more sustainable processes will be demonstrated through implementation of strategies that meet several of the 12 principles of Green Chemistry.In the first part, a stereoselective total synthesis of multiple alkaloids from the Corynantheine and Ipecac families together with their non-natural analogues will be disclosed. A highly efficient, common synthetic strategy is applied leading to high overal...

  10. Heterogeneous Catalysis on a Disordered Surface

    OpenAIRE

    Frachebourg, L.; Krapivsky, P. L.; Redner, S.

    1995-01-01

    We introduce a simple model of heterogeneous catalysis on a disordered surface which consists of two types of randomly distributed sites with different adsorption rates. Disorder can create a reactive steady state in situations where the same model on a homogeneous surface exhibits trivial kinetics with no steady state. A rich variety of kinetic behaviors occur for the adsorbate concentrations and catalytic reaction rate as a function of model parameters.

  11. Kinetics of Catalysis with Surface Disorder

    OpenAIRE

    Head, DA; Rodgers, GJ

    1996-01-01

    We study the effects of generalised surface disorder on the monomer-monomer model of heterogeneous catalysis, where disorder is implemented by allowing different adsorption rates for each lattice site. By mapping the system in the reaction-controlled limit onto a kinetic Ising model, we derive the rate equations for the one and two-spin correlation functions. There is good agreement between these equations and numerical simulations. We then study the inclusion of desorption of monomers from t...

  12. Application of scanning electron microscopy in catalysis

    OpenAIRE

    Lomić Gizela A.; Kiš Erne E.; Bošković Goran C.; Marinković-Nedučin Radmila P.

    2004-01-01

    A short survey of various information obtained by scanning electron microscopy (SEM) in the investigation of heterogeneous catalysts and nano-structured materials have been presented. The capabilities of SEM analysis and its application in testing catalysts in different fields of heterogeneous catalysis are illustrated. The results encompass the proper way of catalyst preparation, the mechanism of catalyst active sites formation catalysts changes and catalyst degradation during their applicat...

  13. Nanomaterials Engineering and Applications in Catalysis

    OpenAIRE

    Zhang, Qiao

    2012-01-01

    Catalysis plays an essential role in industrial applications of direct relevance to many aspects in our daily lives, such as petroleum refining, fine chemical and pharmaceutical production, energy conversion and storage, and automotive emissions control. Design and fabrication of highly active catalysts in an efficient and cost-effective way is thus an important topic. This dissertation discusses our efforts in the engineering and applications of nanomaterials, which could be divided into t...

  14. 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.

  15. µ-reactors for Heterogeneous Catalysis

    OpenAIRE

    Jensen, Robert; Chorkendorff, Ib; Hansen, Ole

    2012-01-01

    This thesis is the summary of my work on the µ-reactor platform. The concept of µ-reactors is presented and some of the experimental challenges are outlined. The various experimental issues regarding the platform are discussed and the actual implementation of three generations of the setup 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 ...

  16. Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions?: A Fruitful Interplay Anyway. Part 3. Catalysis by Group 10 to Group 11 Elements and Bimetallic Catalysis

    Czech Academy of Sciences Publication Activity Database

    Jahn, Ullrich

    Heidelberg : Springer, 2012 - (Heinrich, M.; Gansäuer, A.), s. 323-452 ISBN 978-3-642-28122-8. - (Topic in Current Chemistry. 320) R&D Projects: GA ČR GA203/09/1936 Institutional research plan: CEZ:AV0Z40550506 Keywords : catalysis * cross-coupling * cyclization * electron transfer * radicals * transition metals * addition Subject RIV: CC - Organic Chemistry

  17. Hybrid Amyloid Membranes for Continuous Flow Catalysis.

    Science.gov (United States)

    Bolisetty, Sreenath; Arcari, Mario; Adamcik, Jozef; Mezzenga, Raffaele

    2015-12-29

    Amyloid fibrils are promising nanomaterials for technological applications such as biosensors, tissue engineering, drug delivery, and optoelectronics. Here we show that amyloid-metal nanoparticle hybrids can be used both as efficient active materials for wet catalysis and as membranes for continuous flow catalysis applications. Initially, amyloid fibrils generated in vitro from the nontoxic β-lactoglobulin protein act as templates for the synthesis of gold and palladium metal nanoparticles from salt precursors. The resulting hybrids possess catalytic features as demonstrated by evaluating their activity in a model catalytic reaction in water, e.g., the reduction of 4-nitrophenol into 4-aminophenol, with the rate constant of the reduction increasing with the concentration of amyloid-nanoparticle hybrids. Importantly, the same nanoparticles adsorbed onto fibrils surface show improved catalytic efficiency compared to the same unattached particles, pointing at the important role played by the amyloid fibril templates. Then, filter membranes are prepared from the metal nanoparticle-decorated amyloid fibrils by vacuum filtration. The resulting membranes serve as efficient flow catalysis active materials, with a complete catalytic conversion achieved within a single flow passage of a feeding solution through the membrane. PMID:26673736

  18. Plasma Catalysis: Synergistic Effects at the Nanoscale.

    Science.gov (United States)

    Neyts, Erik C; Ostrikov, Kostya Ken; Sunkara, Mahendra K; Bogaerts, Annemie

    2015-12-23

    Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application. PMID:26619209

  19. Special Issue: Coinage Metal (Copper, Silver, and Gold Catalysis

    Directory of Open Access Journals (Sweden)

    Sónia Alexandra Correia Carabineiro

    2016-06-01

    Full Text Available The subject of catalysis by coinage metals (copper, silver, and gold comes up increasingly day-by-day. This Special Issue aims to cover the numerous aspects of the use of these metals as catalysts for several reactions. It deals with synthesis and characterization of copper, silver and gold based catalysis, their characterization and use, both for heterogeneous and homogeneous catalysis, and some of their potential applications.

  20. A new era of catalysis: efficiency, value, and sustainability.

    Science.gov (United States)

    Cheng, Soofin; Lin, Shawn D

    2014-06-01

    Value proposition: Global warming and climate change urge the chemical industry to develop new processes, in which sustainability is a necessity and requirement. Catalysis is recognized to be one of the key technologies in enabling sustainability. This special issue, assembled by guest editors Soofing Chen and Shawn D. Lin, highlights some of the best work presented at "The 6th Asia-Pacific Congress on Catalysis (APCAT-6)", with as major theme "New Era of Catalysis: Efficiency, Value, and Sustainability". PMID:24965342

  1. New developments in FCC catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, C.P. [BASF Corporation, Iselin, NJ (United States)

    2011-07-01

    Fluid catalytic cracking (FCC) unit is one of the primary boiling point reduction units in the refinery that converts longer chain crude oil to useful products such as distillate, gasoline and LPG. As the quality of feedstock deteriorates, while specifications on the product side are becoming more and more stringent, the FCC unit is being severely challenged. Over the past few years BASF has introduced two new platform technologies that will assist in this challenge. This paper will present an overview of those platforms and also provide a brief update on the research underway to mitigate the current REO crisis. (orig.)

  2. Synergetic catalysis in hydrocarbon generation

    Energy Technology Data Exchange (ETDEWEB)

    Sabate, R.W. [San`Doil Exploration L.C., New Orleans, LA (United States); Baker, C.C. [Consulting Petroleum Geologist, Metairie, LA (United States)

    1994-12-31

    Thermogenesis as the sole origin of hydrocarbons has been questioned by Gulf Coast geologists for two reasons: (1) lack of thermally mature source beds except on the basin`s Mesozoic rim and (2) persuasive empirical evidence of shallow, early generation, migration, and emplacement. Enigmatically, even subsequent deeper burial of the reservoirs has not resulted in thermal maturity. However, recent laboratory research has identified several natural catalysts that significantly lower temperatures needed for conversion of organic materials into hydrocarbons. Perhaps synergism among these or as-yet-undiscovered catalysts, together with geologic reaction times, is capable of producing hydrocarbons at temperatures low enough for early emplacement.

  3. Synergetic catalysis in hydrocarbon generation

    Energy Technology Data Exchange (ETDEWEB)

    Sabate, R.W. [San`Doil Exploration L.C., New Orleans, LA (United States); Baker, C.C. [NAC of FINDING, Slidell, LA (United States)

    1994-09-01

    Thermogenesis as the sole origin of hydrocarbons has been questioned by Gulf Coast petroleum geologists for two reasons: (1) lack of thermally mature source beds except on the basin`s Mesozoic rim and (2) persuasive empirical evidence of shallow, early migration and emplacement. Enigmatically, even subsequent deeper burial of the reservoirs has not resulted in thermal maturity. However, recent laboratory research has identified several natural catalysts that significantly lower temperatures needed for conversion of organic materials into hydrocarbons. Perhaps synergism among these or as yet undiscovered catalysts, together with geologic reaction times, is capable of producing hydrocarbons at temperatures low enough for early emplacement.

  4. Magnetic catalysis and inverse magnetic catalysis in nonlocal chiral quark models

    CERN Document Server

    Pagura, V P; Noguera, S; Scoccola, N N

    2016-01-01

    We study the behavior of strongly interacting matter under an external constant magnetic field in the context of nonlocal chiral quark models within the mean field approximation. We find that at zero temperature the behavior of the quark condensates shows the expected magnetic catalysis effect, our predictions being in good quantitative agreement with lattice QCD results. On the other hand, in contrast to what happens in the standard local Nambu-Jona-Lasinio model, when the analysis is extended to the case of finite temperature our results show that nonlocal models naturally lead to the Inverse Magnetic Catalysis effect.

  5. Switching activation barriers: new insights in E-field driven processes at the interface: perspectives in physical chemistry and catalysis

    NARCIS (Netherlands)

    Susarrey Arce, A.

    2014-01-01

    The research described in this thesis aimed to explore new concepts in catalysis with the use of a homemade ATR-IR silicon-based microreactor. During this journey we have performed multidisciplinary research at the interface between physics and chemistry. New insights in the fabrication, integration

  6. 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.

  7. Asymmetric catalysis in organic synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Reilly, S.D.; Click, D.R.; Grumbine, S.K.; Scott, B.L.; Watkins, J.G.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of the project was to prepare new catalyst systems, which would perform chemical reactions in an enantioselective manner so as to produce only one of the possible optical isomers of the product molecule. The authors have investigated the use of lanthanide metals bearing both diolate and Schiff-base ligands as catalysts for the enantioselective reduction of prochiral ketones to secondary alcohols. The ligands were prepared from cheap, readily available starting materials, and their synthesis was performed in a ''modular'' manner such that tailoring of specific groups within the ligand could be carried out without repeating the entire synthetic procedure. In addition, they have developed a new ligand system for Group IV and lanthanide-based olefin polymerization catalysts. The ligand system is easily prepared from readily available starting materials and offers the opportunity to rapidly prepare a wide range of closely related ligands that differ only in their substitution patterns at an aromatic ring. When attached to a metal center, the ligand system has the potential to carry out polymerization reactions in a stereocontrolled manner.

  8. Antecedents of Norwegian Beginning Teachers' Turnover Intentions

    Science.gov (United States)

    Tiplic, Dijana; Brandmo, Christian; Elstad, Eyvind

    2015-01-01

    This study aims at exploring several individual, organizational, and contextual factors that may affect beginning teachers' turnover intentions during their first years of practice. The sample consists of 227 beginning teachers (69% female and 31% male) from 133 schools in Norway. The results show four important antecedents of beginning teachers'…

  9. Surface Science Foundations of Catalysis and Nanoscience

    CERN Document Server

    Kolasinski, Kurt K

    2012-01-01

    Surface science has evolved from being a sub-field of chemistry or physics, and has now established itself as an interdisciplinary topic. Knowledge has developed sufficiently that we can now understand catalysis from a surface science perspective. No-where is the underpinning nature of surface science better illustrated than with nanoscience. Now in its third edition, this successful textbook aims to provide students with an understanding of chemical transformations and the formation of structures at surfaces. The chapters build from simple to more advanced principles with each featuring exerc

  10. Supported ionic liquid-phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Wasserscheid, P.; van Hal, R.

    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...... performance, i.e. activity and selectivity, as well as stability of the SILP catalysts. Noticeably, a high catalyst ligand content together with presence of ionic liquid solvent are prerequisites for obtaining selective rhodium phosphine SILP catalysts systems....

  11. Concepts of Modern Catalysis and Kinetics

    CERN Document Server

    Chorkendorff, I

    2003-01-01

    Until now, the literature has offered a rather limited approach to the use of fundamental kinetics and their application to catalytic reactions. Subsequently, this book spans the full range from fundamentals of kinetics and heterogeneous catalysis via modern experimental and theoretical results of model studies to their equivalent large-scale industrial production processes. The result is key knowledge for students at technical universities and professionals already working in industry. "...such an enterprise will be of great value to the community, to professionals as well as graduate an

  12. A molecular view of heterogeneous catalysis

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Nørskov, Jens Kehlet

    2008-01-01

    theoretical methods, detailed experiments on model systems, and synthesis and in situ characterization of nano-structured catalysts, we are witnessing the first examples of complete atomic-scale insight into the structure and mechanism of surface-catalyzed reactions. This insight has already proven its value......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...

  13. Factors Affecting the Relative Efficiency of General Acid Catalysis

    Science.gov (United States)

    Kwan, Eugene E.

    2005-01-01

    A simple framework for evaluating experimental kinetic data to provide support for Specific Acid Catalysis (SAC) and General Acid Catalysis (GAC) is described based on the factors affecting their relative efficiency. Observations reveal that increasing the SAC-to-GAC rate constant ratio reduces the effective pH range for GAC.

  14. 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, and...

  15. LI Can elected president of int'l catalysis association

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ Prof.LI Can,vice directorgeneral of the CAS Dalian Institute of Chemical Physics,was elected new president of the Executive Committee of the International Association for Catalysis Societies (IACS) at the 14th International Congress on Catalysis held from 13 to 18 July in Seoul,ROK.It is the first time for a Chinese scientist to serve the post.

  16. Bilingual beginnings to learning words

    OpenAIRE

    Janet F Werker; Byers-Heinlein, Krista; Fennell, Christopher T.

    2009-01-01

    At the macrostructure level of language milestones, language acquisition follows a nearly identical course whether children grow up with one or with two languages. However, at the microstructure level, experimental research is revealing that the same proclivities and learning mechanisms that support language acquisition unfold somewhat differently in bilingual versus monolingual environments. This paper synthesizes recent findings in the area of early bilingualism by focusing on the question ...

  17. Structure and Catalysis of Acylaminoacyl Peptidase

    Science.gov (United States)

    Harmat, Veronika; Domokos, Klarissza; Menyhárd, Dóra K.; Palló, Anna; Szeltner, Zoltán; Szamosi, Ilona; Beke-Somfai, Tamás; Náray-Szabó, Gábor; Polgár, László

    2011-01-01

    Acylaminoacyl peptidase from Aeropyrum pernix is a homodimer that belongs to the prolyl oligopeptidase family. The monomer subunit is composed of one hydrolase and one propeller domain. Previous crystal structure determinations revealed that the propeller domain obstructed the access of substrate to the active site of both subunits. Here we investigated the structure and the kinetics of two mutant enzymes in which the aspartic acid of the catalytic triad was changed to alanine or asparagine. Using different substrates, we have determined the pH dependence of specificity rate constants, the rate-limiting step of catalysis, and the binding of substrates and inhibitors. The catalysis considerably depended both on the kind of mutation and on the nature of the substrate. The results were interpreted in terms of alterations in the position of the catalytic histidine side chain as demonstrated with crystal structure determination of the native and two mutant structures (D524N and D524A). Unexpectedly, in the homodimeric structures, only one subunit displayed the closed form of the enzyme. The other subunit exhibited an open gate to the catalytic site, thus revealing the structural basis that controls the oligopeptidase activity. The open form of the native enzyme displayed the catalytic triad in a distorted, inactive state. The mutations affected the closed, active form of the enzyme, disrupting its catalytic triad. We concluded that the two forms are at equilibrium and the substrates bind by the conformational selection mechanism. PMID:21084296

  18. Tandem Catalysis Utilizing Olefin Metathesis Reactions.

    Science.gov (United States)

    Zieliński, Grzegorz K; Grela, Karol

    2016-07-01

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

  19. It all begins with people

    International Nuclear Information System (INIS)

    This paper examines the question: How important is the role of people in exploration success? Can one quantify the worth of staff contributions versus the contribution of risk capital? Are geologists and geophysicists really necessary for exploration success? Can investments in research and in training and motivating staff be justified on an economic basis? Is intellectual capital a real and measurable benefit to a company? (Intellectual capital is defined as the net value provided an organization by its investment in nonoperating technical staff). Can companies see the worth of their intellectual capital investment reflected in their earnings? Can a corporation afford exploration staff in difficult economic times

  20. Towards the pressure and material gap in heterogeneous catalysis: hydrogenation of acrolein over silver catalysts

    OpenAIRE

    Bron, M.; Bonifer, M.; Knop-Gericke, A; Teschner, D; Kröhnert, J.; Jentoft, F.; Schlögl, R.; Claus, P.

    2004-01-01

    Introduction In recent time, increasing effort has been undertaken in order to answer the question, whether it is justified to transfer results from surface science studies, mostly obtained with idealised surfaces under UHV conditions, to "real" catalysis, i.e. high pressures and complex materials (the so-called pressure and material gaps). The DFG (German research foundation) has initialised a priority program (SPP 1091) in order to bring together experts from surface science, materials s...

  1. On model materials designed by atomic layer deposition for catalysis purposes

    OpenAIRE

    2011-01-01

    The aim of this work was to investigate the potential of model materials designed by atomic layer deposition toward applications in catalysis research. Molybdenum based catalysts promoted with cobalt were selected as target materials, considering their important roles in various industrial processes. Particular attention was paid to understand the growth dynamics of the ALD processes involved and further to characterize the obtained materials carefully. It was of main concern to verify the fe...

  2. Preparation and Characterisation of Activated Ni(Mn)/Mg/Al Hydrotalcites for Combustion Catalysis

    Czech Academy of Sciences Publication Activity Database

    Jirátová, Květa; Čuba, Pavel; Kovanda, F.; Hilaire, L.; Pitchon, V.

    2002-01-01

    Roč. 76, č. 1 (2002), s. 43-53. ISSN 0920-5861. [European Congress on Catalysis EuropaCat V /5./. Limerick, 02.09.2001-07.09.2001] R&D Projects: GA ČR GA106/02/0523 Institutional research plan: CEZ:AV0Z4072921 Keywords : hydrotalcites * metal oxide catalysts * methane combustion Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.146, year: 2002

  3. Synthesis of phosphine ligands with helical chirality for applications in asymmetric catalysis

    Czech Academy of Sciences Publication Activity Database

    Andronova, Angelina; Stará, Irena G.; Starý, Ivo

    Praha : -, 2009. s. 90-90. ISBN 978-80-02-02160-5. [ESOC 2009. European Symposium on Organic Chemistry /16./. 12.07.2009-16.07.2009, Praha] R&D Projects: GA MŠk LC512; GA ČR GA203/09/1766; GA ČR GA203/07/1664 Institutional research plan: CEZ:AV0Z40550506 Keywords : helicene * asymmetric catalysis * phosphites Subject RIV: CC - Organic Chemistry

  4. Catalysis of Hydrogen De-sorption from MgH2

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jiří; David, Bohumil

    Ostrava: TANGER, spol. s r.o., 2011, s. 108. ISBN 978-80-87294-22-2. [Anniversary International Conference on Metallurgy and Materials METAL 2011/20th./. Brno (CZ), 18.05.2011-20.05.2011] R&D Projects: GA ČR GA106/09/0814 Institutional research plan: CEZ:AV0Z20410507 Keywords : hydrogen storag * hydrogen hydride * catalysi Subject RIV: BJ - Thermodynamics

  5. 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 ostatní: 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

  6. Beginning Level University Heritage Programs: Creating a Space for All Heritage Language Learners

    Science.gov (United States)

    Beaudrie, Sara; Ducar, Cynthia

    2005-01-01

    This paper addresses beginning level Spanish heritage language (SHL) learners' attitudes towards their language and culture. Heritage language (HL) programs and research have often overlooked beginning level learners, especially within university settings. The current study involved 20 participants from a beginning level SHL class in the…

  7. Kokes Awards for the 22nd North American Catalysis Society Meeting, June 5-10, 2011

    Energy Technology Data Exchange (ETDEWEB)

    Fabio H. Ribeiro

    2011-06-05

    The biennial North American Catalysis Society (NACS) Meetings are the premiere conferences in the area of catalysis, surface science, and reaction engineering. The 22nd meeting will be held the week of June 5-10, 2011 in Detroit, Michigan. The objective of the Meetings is to bring together leading researchers for intensive scientific exchange and interactions. Financial support that offsets some of the associated costs (specifically, registration fee, airline tickets, and hotel accommodations) would encourage graduate students, and for the first time undergraduate students, to attend and participate meaningfully in this conference. The funds sought in this proposal will help support the Richard J. Kokes Travel Award program. Graduate students eligible for these merit-based Awards are those who study at a North American university and who will present at the Meeting. We have currently 209 applications and we expect to be able to fund about half of them. The NACS has traditionally sought to encourage graduate student, and this year for the first time undergraduate studies, participation at the National Meetings and providing financial support is the most effective means to do so. Their attendance would contribute significantly to their scientific training and communication and presentation skills. They would be exposed to the leading researchers from the US and abroad; they would meet their peers from other universities; they would learn about cutting-edge results that could benefit their research projects; and they may become interested in becoming active participants in the catalysis community. These young investigators represent the next generation of scientists and engineers, and their proper training will lead to future scientific breakthroughs and technological innovations that benefit the US economy. Advances in catalysis can come in the form of more energy-efficient and environmentally-friendly chemical processes, improved fuel cell performance, efficient

  8. Higgs Precision (Higgcision) Era begins

    CERN Document Server

    Cheung, Kingman; Tseng, Po-Yan

    2013-01-01

    After the discovery of the Higgs boson at the LHC, it is natural to start the research program on the precision study of the Higgs-boson couplings to various standard model (SM) particles. We provide a generic framework for the deviations of the couplings from their SM values by introducing a number of parameters. We show that a large number of models beyond the SM can be covered, including two-Higgs-doublet models, supersymmetric models, little-Higgs models, extended Higgs sectors with singlets, and fourth generation models. We perform global fits to the most updated data from CMS, ATLAS, and Tevatron under various initial conditions of the parameter set. Highlights of the results include: (i) the nonstandard decay branching ratio of the Higgs boson is less than 25%; (ii) the most efficient way to achieve the best fit is to introduce additional particle contributions to the triangular-loop functions of H-gamma-gamma and Hgg vertices; (iii) the 1 sigma allowed range of the relative coupling of HVV is 0.96 +0....

  9. First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

    OpenAIRE

    Sabbe, Maarten; Reyniers, Marie-Françoise; Reuter, Karsten

    2012-01-01

    Electronic structure calculations have emerged as a key contributor in modern heterogeneous catalysis research, though their application in chemical reaction engineering remains largely limited to academia. This perspective aims at encouraging the judicious use of first-principles kinetic models in industrial settings based on a critical discussion of present-day best practices, identifying existing gaps, and defining where further progress is needed.

  10. Electrochemical evidence of catalysis of oxygen reduction at the polarized liquid–liquid interface by tetraphenylporphyrin monoacid and diacid

    Czech Academy of Sciences Publication Activity Database

    Trojánek, Antonín; Langmaier, Jan; Su, B.; Girault, H. H.; Samec, Zdeněk

    2009-01-01

    Roč. 11, č. 10 (2009), s. 1940-1943. ISSN 1388-2481 R&D Projects: GA ČR(CZ) GA203/07/1257; GA MŠk OC 177 Institutional research plan: CEZ:AV0Z40400503 Keywords : liquid-liquid interface * oxygen reduction * decamethylferrocene * catalysis Subject RIV: CG - Electrochemistry Impact factor: 4.243, year: 2009

  11. Radicals and Transition-Metal Catalysis: An Alliance Par Excellence to Increase Reactivity and Selectivity in Organic Chemistry

    Czech Academy of Sciences Publication Activity Database

    Ford, Leigh Robert; Jahn, Ullrich

    2009-01-01

    Roč. 48, č. 35 (2009), s. 6386-6389. ISSN 1433-7851 Institutional research plan: CEZ:AV0Z40550506 Keywords : cross-coupling * elimination * homogeneous catalysis * hydrogen transfer * radicals Subject RIV: CC - Organic Chemistry Impact factor: 11.829, year: 2009

  12. Progress on Porous Ceramic Membrane Reactors for Heterogeneous Catalysis over Ultrafine and Nano-sized Catalysts

    Institute of Scientific and Technical Information of China (English)

    JIANG Hong; MENG Lie; CHEN Rizhi; JIN Wanqin; XING Weihong; XU Nanping

    2013-01-01

    Heterogeneous catalysts with ultrafine or nano particle size have currently attracted considerable attentions in the chemical and petrochemical production processes,but their large-scale applications remain challenging because of difficulties associated with their efficient separation from the reaction slurry.A porous ceramic membrane reactor has emerged as a promising method to solve the problem concerning catalysts separation in situ from the reaction mixture and make the production process continuous in heterogeneous catalysis.This article presents a review of the present progress on porous ceramic membrane reactors for heterogeneous catalysis,which covers classification of configurations of porous ceramic membrane reactor,major considerations and some important industrial applications.A special emphasis is paid to major considerations in term of application-oriented ceramic membrane design,optimization of ceramic membrane reactor performance and membrane fouling mechanism.Finally,brief concluding remarks on porous ceramic membrane reactors are given and possible future research interests are also outlined.

  13. Novel Catalysis by Gold: A Modern Alchemy

    Science.gov (United States)

    Haruta, Masatake

    Gold has long been neglected as a catalyst because of its chemical inertness. However, when gold is deposited as nanoparticles on carbon and polymer materials as well as on base metal oxides and hydroxides, it exhibits unique catalytic properties for many reactions such as CO oxidation at a temperature as low as 200 K, gas phase direct epoxidation of propylene, and aerobic oxidation of glucose to gluconic acid. The structure-catalytic activity correlations are discussed with emphasis on the contact structure, support selection, and the size control of gold particles. Gold clusters with diameters smaller than 2 nm are expected to exhibit novel properties in catalysis, optics, and electronics depending on the size (number of atoms), shape, and the electronic and chemical interaction with the support materials. The above achievements and attempts can be regarded as a modern alchemy that creates valuables by means of the noblest element with little practical use.

  14. Magnetic Catalysis in Graphene Effective Field Theory

    CERN Document Server

    DeTar, Carleton; Zafeiropoulos, Savvas

    2016-01-01

    We report on the first observation of magnetic catalysis at zero temperature in a fully nonperturbative simulation of the graphene effective field theory. Using lattice gauge theory, a nonperturbative analysis of the theory of strongly-interacting, massless, (2+1)-dimensional Dirac fermions in the presence of an external magnetic field is performed. We show that in the zero-temperature limit, a nonzero value for the chiral condensate is obtained which signals the spontaneous breaking of chiral symmetry. This result implies a nonzero value for the dynamical mass of the Dirac quasiparticle. This in turn has been posited to account for the quantum-Hall plateaus that are observed at large magnetic fields.

  15. Linking Protein Motion to Enzyme Catalysis

    Directory of Open Access Journals (Sweden)

    Priyanka Singh

    2015-01-01

    Full Text Available Enzyme motions on a broad range of time scales can play an important role in various intra- and intermolecular events, including substrate binding, catalysis of the chemical conversion, and product release. The relationship between protein motions and catalytic activity is of contemporary interest in enzymology. To understand the factors influencing the rates of enzyme-catalyzed reactions, the dynamics of the protein-solvent-ligand complex must be considered. The current review presents two case studies of enzymes—dihydrofolate reductase (DHFR and thymidylate synthase (TSase—and discusses the role of protein motions in their catalyzed reactions. Specifically, we will discuss the utility of kinetic isotope effects (KIEs and their temperature dependence as tools in probing such phenomena.

  16. Chiroptical Switches: Applications in Sensing and Catalysis

    Directory of Open Access Journals (Sweden)

    Wenyao Zhang

    2012-01-01

    Full Text Available Chiroptical switches have found application in the detection of a multitude of different analytes with a high level of sensitivity and in asymmetric catalysis to offer switchable stereoselectivity. A wide range of scaffolds have been employed that respond to metals, small molecules, anions and other analytes. Not only have chiroptical systems been used to detect the presence of analytes, but also other properties such as oxidation state and other physical phenomena that influence helicity and conformation of molecules and materials. Moreover, the tunable responses of many such chiroptical switches enable them to be used in the controlled production of either enantiomer or diastereomer at will in many important organic reactions from a single chiral catalyst through selective use of a low-cost inducer: Co-catalysts (guests, metal ions, counter ions or anions, redox agents or electrochemical potential, solvents, mechanical forces, temperature or electromagnetic radiation.

  17. 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.

  18. Prebiotic RNA Synthesis by Montmorillonite Catalysis

    Science.gov (United States)

    Jheeta, Sohan; Joshi, Prakash C.

    2014-08-01

    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.

  19. Microbial electro-catalysis in fuel cell

    International Nuclear Information System (INIS)

    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, DSAR and stainless steel (8 A/m2, 5 A/m2 and 0.7 A/m2 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)

  20. Hydrogen Production by Homogeneous Catalysis: Alcohol Acceptorless Dehydrogenation

    DEFF Research Database (Denmark)

    Nielsen, Martin

    2015-01-01

    for the energy sector is the application of a hydrogen economy, which transform the chemical energy in water and/or biomass into hydrogen. Considered as an energy carrier, hydrogen is then transported to the site of use where fuel cells convert its chemical energy into electricity.Here, we review the progress...... 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...

  1. Best Management Practices for Beginning Farmer Support

    Science.gov (United States)

    Ochterski, Jim; Frenay, Erica

    2010-01-01

    Many beginning farmers have little previous contact with Extension, yet they will comprise an important part of our future base of support. We present those educational activities directed toward beginning farmers that represent high impact, outcome-based Extension programming, given an educator's time limitations. This checklist of insights will…

  2. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s > Dry ... Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s Survival ...

  3. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Clinical Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s > ... Clinical Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s ...

  4. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Mouth Diagnosis Treatments Patient Information Faces of Sjögren's Clinical Trials Resources Video: A Place to Begin Family & Friends ... Guidelines Member Community Symptoms Diagnosis Treatments Patient Information Clinical Trials Resources Video: A Place to Begin Family & Friends ...

  5. Beginning Teachers' Challenges in Their Pursuit of Effective Teaching Practices

    Science.gov (United States)

    Confait, Steve

    2015-01-01

    This article explores the context and experiences of three beginning teachers in their effort to improve their teaching and to implement and align themselves with their schools' expectations of effective teaching practices. Research findings emerging from a sociocultural-ethnographic framework revealed that participants challenged their own…

  6. A Star Is Born: Production Planning--From the Beginning.

    Science.gov (United States)

    Smith, Valerie O'Brien

    1985-01-01

    Preproduction filmmaking for a college or university begins when the institution first discusses the idea. The process continues with developing ideas, forming a committee, focusing on the film's major points, doing research, interviewing, writing a script, and scheduling interview subjects and scenes that need to be shot. (MLW)

  7. The Effectiveness of Written Corrective Feedback in Teaching Beginning German

    Science.gov (United States)

    Vyatkina, Nina

    2010-01-01

    This study explores the effectiveness of instructor-written corrective feedback for the improvement of writing accuracy by beginning college-level learners of German. The researcher investigated changes in error rates in six error categories in essay writing in correlation with three different corrective feedback types administered consistently…

  8. Beginning teachers’ challenges in their pursuit of effective teaching practices

    Directory of Open Access Journals (Sweden)

    Steve Confait

    2015-12-01

    Full Text Available This article explores the context and experiences of three beginning teachers in their effort to improve their teaching and to implement and align themselves with their schools’ expectations of effective teaching practices. Research findings emerging from a sociocultural-ethnographic framework revealed that participants challenged their own beliefs about effective teaching practices in aligning themselves with their schools’ expectations. In complying with routine expectations, they embraced predominantly teacher-centred practices, rather than a student-centred approach. Given the ongoing effort to augment the quality of education in the Seychelles, beginning teachers’ implementation of and access to evidenced-based practices could be recognised as part of this endeavour.

  9. 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...

  10. Density functional theory studies of transition metal nanoparticles in catalysis

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua; Chun, Hee-Joon; Clayborne, Andre; Li, Lin; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Larsen, Ask Hjorth; Kleis, Jesper; Jacobsen, Karsten Wedel; Romero, Nichols

    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 (<~4 nm in diameter), and I...

  11. Inverse opal ceria–zirconia: architectural engineering for heterogeneous catalysis

    OpenAIRE

    Umeda, G. A.; Chueh, William C.; Noailles, Liam; Haile, Sossina M.; Dunn, B. S.

    2008-01-01

    The application of inverse opal structured materials is extended to the ceria–zirconia (Ce_(0.5)Zr_(0.5)O_2) system and the significance of material architecture on heterogeneous catalysis, specifically, chemical oxidation, is examined.

  12. Selective Oxidation and Ammoxidation of Olefins by Heterogeneous Catalysis.

    Science.gov (United States)

    Grasselli, Robert K.

    1986-01-01

    Shows how the ammoxidation of olefins can be understood in terms of free radicals and surface bound organometallic intermediates. Also illustrates the close intellectual relationships between heterogeneous catalysis and organometallic chemistry. (JN)

  13. 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...

  14. Beginning Programming with Java For Dummies

    CERN Document Server

    Burd, Barry

    2012-01-01

    One of the most popular beginning programming books, now fully updated Java is a popular language for beginning programmers, and earlier editions of this fun and friendly guide have helped thousands get started. Now fully revised to cover recent updates for Java 7.0, Beginning Programming with Java For Dummies, 3rd Edition is certain to put more first-time programmers and Java beginners on the road to Java mastery.Explores what goes into creating a program, putting the pieces together, dealing with standard programming challenges, debugging, and making the program work Offers new options for

  15. Beginning Mac OS X Snow Leopard programming

    CERN Document Server

    Trent, Michael

    2010-01-01

    Michael Trent is a technical reviewer for numerous books and magazine articles and the coauthor of Beginning Mac OS X Programming with Drew McCormack. Drew McCormack is an experienced computational scientist, founder of the ""The Mental Faculty""-an independent company developing software for the Mac and iPhone-and the coauthor of Beginning Mac OS X Programming with Michael Trent. Wrox Beginning guides are crafted to make learning programming languages and technologies easier than you think, providing a structured, tutorial format that will guide you through all the techniques involved.

  16. 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)

  17. Norris Hall to begin phased reoccupation

    OpenAIRE

    Hincker, Lawrence

    2007-01-01

    In conjunction with the faculty and leadership of the College of Engineering and the Department of Engineering Science and Mechanics (ESM), Virginia Tech President Charles Steger has decided that phased re-use of the building will begin June 18.

  18. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Clinical Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s ... > Social Security Disability & Sjögren’s Board of Directors Medical & Scientific ...

  19. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Resources Video: A Place to Begin Family & Friends Information Sjögren’s ... > Social Security Disability & Sjögren’s Board of Directors Medical & Scientific Advisory ...

  20. The Problems of the Beginning Teacher in the Arab Schools in Israel

    Science.gov (United States)

    Toren, Zehava; Iliyan, Salman

    2008-01-01

    This article focuses on the problems of beginning teachers in the Arab sector in Israel. The participants were 146 beginning teachers, 5 mentors, and 5 advisors. The research measurements included an open-ended question and a semi-structured interview. Our research revealed many different cultural aspects related to most of the problems of the…

  1. Catalysis of Forster Resonances in Rubidium

    Science.gov (United States)

    Win, A. L.; Williams, W. D.; Sukenik, C. I.

    2016-05-01

    When two ultracold Rydberg atoms collide they may change their quantum state if the total electronic energy of the two atoms before and after the collision is about the same. This process can be made resonant by tuning the energy levels of the atoms with an electric field, via the Stark shift, so that the energy difference between incoming and outgoing channels vanishes. This condition is known as a ``Forster resonance.'' We have studied a particular Forster resonance in rubidium: 34p + 34p --> 34s + 35s, by investigating the time dependence of the state change in an ultracold environment. Furthermore, we have added 34d state atoms to the mix and observed an enhancement of 34s atom production. We attribute this enhancement to a catalysis effect whereby the 34d atoms alter the spatial distribution of 34p atoms that participate in the energy transfer interaction. We will present results from the experiment and compare them to model calculations. Present address: Department of Physics, Smith College, Northampton, MA.

  2. Conformational Isomerism Can Limit Antibody Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Debler, E.W.; Muller, R.; Hilvert, D.; Wilson, I.A.

    2009-05-14

    Ligand binding to enzymes and antibodies is often accompanied by protein conformational changes. Although such structural adjustments may be conducive to enzyme catalysis, much less is known about their effect on reactions promoted by engineered catalytic antibodies. Crystallographic and pre-steady state kinetic analyses of antibody 34E4, which efficiently promotes the conversion of benzisoxazoles to salicylonitriles, show that the resting catalyst adopts two interconverting active-site conformations, only one of which is competent to bind substrate. In the predominant isomer, the indole side chain of Trp{sup L91} occupies the binding site and blocks ligand access. Slow conformational isomerization of this residue, on the same time scale as catalytic turnover, creates a deep and narrow binding site that can accommodate substrate and promote proton transfer using Glu{sup H50} as a carboxylate base. Although 34E4 is among the best catalysts for the deprotonation of benzisoxazoles, its efficiency appears to be significantly limited by this conformational plasticity of its active site. Future efforts to improve this antibody might profitably focus on stabilizing the active conformation of the catalyst. Analogous strategies may also be relevant to other engineered proteins that are limited by an unfavorable conformational pre-equilibrium.

  3. Some General Themes in Catalysis at LANL

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John C. [Los Alamos National Laboratory

    2012-07-19

    Some general themes in catalysis at LANL are: (1) Storage and release of energy within chemical bonds (e.g. H{sub 2} storage in and release from covalent bonds, N{sub 2} functionalization, CO{sub 2} functionalization, H{sub 2} oxidation/evolution, O{sub 2} reduction/evolution); (2) Can we control the chemistry of reactive substrates to effect energy relevant transformations in non-traditional media (e.g. can we promote C-C couplings, dehydrations, or hydrogenations in water under relatively mild conditions)? (3) Can we supplant precious metal or rare earth catalysts to effect these transformations, by using earth abundant metals/elements instead? Can we use organocatalysis and circumvent the use of metals completely? (4) Can we improve upon existing rare earth catalyst systems (e.g. in rare earth oxides pertinent to fluid cracking or polymerization) and reduce amounts required for catalytic efficacy? Carbohydrates can be accessed from non-food based biomass sources such as woody residues and switchgrass. After extracted from the plant source, our goal is to upgrade these classes of molecules into useful fuels.

  4. Hydrogen and methane synthesis through radiation catalysis. Final report

    International Nuclear Information System (INIS)

    The goal of this research was to evaluate the potential for using reactor wastes to synthesize useful products in quasi-photochemical configuration. It was found that semiconductor oxides act as heterogenous catalysts for the formation of H2 in aqueous media under 60Co irradiation. The principle of a gamma-ray solar cell was demonstrated experimentally. Experiments with ultraviolet irradiated TiO2 and ZnO grains demonstrated that both H2 and H2O2 were formed, in contrast to the results of work by previous authors. These results were rationalized by energy band diagram representations and by applying principles of semiconductor photoelectrochemistry. The concept of gamma-ray assisted desulfurization of coal through radiological degradation and heterogenous catalysis was experimentally demonstrated. The proof-of-concept experiments in the present study provide the basis for further fundamental and applied investigations, particularly in a potentially efficient system with a fresh source and 1.5 m path length

  5. Aquinas and Contemporary Cosmology: Creation and Beginnings

    Science.gov (United States)

    Carroll, William E.

    Discussions in the Middle Ages about creation and the temporal beginning of the world involved sophisticated analyses in theology, metaphysics, and natural philosophy. Mediaeval insights on this subject, especially Thomas Aquinas' defense of the intelligibility of an eternal, created universe, can help to clarify reflections about the philosophical and theological implications of contemporary cosmological theories: from the "singularity" of the Big Bang, to "quantum tunneling from nothing," to multiverse scenarios. Thomas' insights help us to see the value of Georges Lemaître's insistence that his cosmological reflections must be kept separate from an analysis of creation. This essay will look at different senses of "beginning" and examine the claim that creation, in its fundamental meaning, tells us nothing about whether there is a temporal beginning to the universe. Multiverse models, like that recently proposed by Stephen Hawking and Leonard Mlodinow, may challenge certain views of a Grand Designer, but not of a Creator.

  6. High-Spin Cobalt Hydrides for Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Holland, Patrick L. [Yale University

    2013-08-29

    Organometallic chemists have traditionally used catalysts with strong-field ligands that give low-spin complexes. However, complexes with a weak ligand field have weaker bonds and lower barriers to geometric changes, suggesting that they may lead to more rapid catalytic reactions. Developing our understanding of high-spin complexes requires the use of a broader range of spectroscopic techniques, but has the promise of changing the mechanism and/or selectivity of known catalytic reactions. These changes may enable the more efficient utilization of chemical resources. A special advantage of cobalt and iron catalysts is that the metals are more abundant and cheaper than those currently used for major industrial processes that convert unsaturated organic molecules and biofeedstocks into useful chemicals. This project specifically evaluated the potential of high-spin cobalt complexes for small-molecule reactions for bond rearrangement and cleavage reactions relevant to hydrocarbon transformations. We have learned that many of these reactions proceed through crossing to different spin states: for example, high-spin complexes can flip one electron spin to access a lower-energy reaction pathway for beta-hydride elimination. This reaction enables new, selective olefin isomerization catalysis. The high-spin cobalt complexes also cleave the C-O bond of CO2 and the C-F bonds of fluoroarenes. In each case, the detailed mechanism of the reaction has been determined. Importantly, we have discovered that the cobalt catalysts described here give distinctive selectivities that are better than known catalysts. These selectivities come from a synergy between supporting ligand design and electronic control of the spin-state crossing in the reactions.

  7. From student to beginning teacher: Learning strengths and teaching challenges

    OpenAIRE

    Monica McGlynn-Stewart

    2015-01-01

    This research examined how the professional practice of Canadian beginning elementary teachers was influenced by their own early learning experiences in school. Six teachers were observed and interviewed in their classrooms five times over the first three years of their teaching career. Case studies were developed for each teacher and themes were explored across cases. The findings from this study suggest that pre-service and in-service teacher education programs need to provide teachers with...

  8. Beginning iPad Application Development

    CERN Document Server

    Lee, Wei-Meng

    2010-01-01

    A hands-on approach to iPad application development. Beginning iPad Application Development is written to help jumpstart beginning iPad developers. It covers the various topics in such a manner that you will progressively learn without being overwhelmed by the details. It adopts the philosophy that the best way to learn is by doing, hence the numerous Try It Out sections in all the chapters, which first show you how to build something and then explain how things work. Although iPad programming is a huge topic, the aim for this book is to get you started with the fundamentals, and help you unde

  9. Ivor Horton's beginning visual C++ 2013

    CERN Document Server

    Horton, Ivor

    2014-01-01

    Learn C++ with the best tutorial on the market! Horton's unique tutorial approach and step-by-step guidance have helped over 100,000 novice programmers learn C++. In Ivor Horton's Beginning Visual C++ 2013, Horton not only guides you through the fundamentals of the standard C++ language, but also teaches you how C++ is used in the latest Visual Studio 2013 environment. Visual Studio 2013 includes major changes to the IDE and expanded options for C++ coding. Ivor Horton's Beginning Visual C++ 2013 will teach you the latest techniques to take your Visual C++ coding to an all-new level.C++ langua

  10. Beginning Microsoft SQL Server 2012 Programming

    CERN Document Server

    Atkinson, Paul

    2012-01-01

    Get up to speed on the extensive changes to the newest release of Microsoft SQL Server The 2012 release of Microsoft SQL Server changes how you develop applications for SQL Server. With this comprehensive resource, SQL Server authority Robert Vieira presents the fundamentals of database design and SQL concepts, and then shows you how to apply these concepts using the updated SQL Server. Publishing time and date with the 2012 release, Beginning Microsoft SQL Server 2012 Programming begins with a quick overview of database design basics and the SQL query language and then quickly proceeds to sho

  11. Kinetic evolutionary behavior of catalysis-select migration

    Institute of Scientific and Technical Information of China (English)

    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 JD0 and KC0 (D0 and C0 are the initial numbers of the monomers of species D and C,respectively).When JD0 - KC0 > 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 JDo - KCo < 0,species A and B exchange their aggregate size distributions as in the above JD0 - KC0 > 0 case.

  12. Kinetic evolutionary behavior of catalysis-select migration

    Science.gov (United States)

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

    2012-06-01

    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 JD0 and KC0 (D0 and C0 are the initial numbers of the monomers of species D and C, respectively). When JD0 -KC0 > 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 JD0-KC0 0 case.

  13. Inverse Magnetic Catalysis in Bottom-Up Holographic QCD

    CERN Document Server

    Evans, Nick; Scott, Marc

    2016-01-01

    We explore the effect of magnetic field on chiral condensation in QCD via a simple bottom up holographic model which inputs QCD dynamics through the running of the anomalous dimension of the quark bilinear. Bottom up holography is a form of effective field theory and we use it to explore the dependence on the coefficients of the two lowest order terms linking the magnetic field and the quark condensate. In the massless theory, we identify a region of parameter space where magnetic catalysis occurs at zero temperature but inverse magnetic catalysis at temperatures of order the thermal phase transition. The model shows similar non-monotonic behaviour in the condensate with B at intermediate T as the lattice data. This behaviour is due to the separation of the meson melting and chiral transitions in the holographic framework. The introduction of quark mass raises the scale of B where inverse catalysis takes over from catalysis until the inverse catalysis lies outside the regime of validity of the effective descr...

  14. Kinetic evolutionary behavior of catalysis-select migration

    International Nuclear Information System (INIS)

    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 JD0 and KC0 (D0 and C0 are the initial numbers of the monomers of species D and C, respectively). When JD0 −KC0 > 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 JD0−KC0 0−KC0 > 0 case. (interdisciplinary physics and related areas of science and technology)

  15. State of Supported Nickel Nanoparticles during Catalysis in Aqueous Media

    Energy Technology Data Exchange (ETDEWEB)

    Chase, Zizwe; Kasakov, Stanislav; Shi, Hui; Vjunov, Aleksei; Fulton, John L.; Camaioni, Donald M.; Balasubramanian, Mahalingam; Zhao, Chen; Wang, Yong; Lercher, Johannes A.

    2015-11-09

    The state of Ni supported on HZSM-5 zeolite, silica, and sulfonated carbon was determined during aqueous phase catalysis of phenol hydrodeoxygenation using in situ extended X-ray absorption fine structure spectroscopy (EXAFS). On sulfonated carbon and HZSM-5 supports, the NiO and Ni(OH)2 were readily reduced to Ni(0) under reaction conditions (~35 bar H2 in aqueous phenol solutions containing up to 0.5 wt. % phosphoric acid at 473 K). On the silica support, less than 70% of the Ni was converted to Ni(0) under reaction conditions, which is attributed to the formation of Ni phyllosilicates. Over a broad range of reaction conditions there was no leaching of Ni from the supports. In contrast, rapid leaching of the Ni(II) from HZSM-5 was observed, when 15 wt. % aqueous acetic acid was substituted for the aqueous phenol solution. Once the metallic state of Ni was established there was no leaching in 15 wt. % acetic acid at 473 K and 35 bar H2. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences & Biosciences. The STEM was supported under the Laboratory Directed Research and Development Program: Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL), a multi-program national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. STEM was performed at EMSL, a DOE Office of Science user facility sponsored by the Office of Biological and Environmental Research and located at PNNL.

  16. Innovative Catalysis in Organic Synthesis Oxidation, Hydrogenation, and C-X Bond Forming Reactions

    CERN Document Server

    Andersson, Pher G

    2012-01-01

    Authored by a European team of leaders in the field, this book compiles innovative approaches for C-X bond forming processes frequently applied in organic synthesis. It covers all key types of catalysis, including homogeneous, heterogeneous, and organocatalysis, as well as mechanistic and computational studies. Special attention is focused on the improvement of efficiency and sustainability of important catalytic processes, such as selective oxidations, hydrogenation and cross-coupling reactions.The result is a valuable resource for both advanced researchers in academia and industry, as well a

  17. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Brochures & Resource Sheets Books, CDs & More! About the Foundation Mission Breakthrough Goal >1 Year Update >2 Year ... Syndrome: A Place To Begin from Sjögren’s Syndrome Foundation on Vimeo . © 2016 Sjögren’s Syndrome Foundation, Inc. 6707 ...

  18. On New Beginnings and Democratic Legitimacy

    Directory of Open Access Journals (Sweden)

    Signe Larsen

    2013-06-01

    Full Text Available This paper sets out to discuss the enigma of revolutionary new political beginnings of constitutional orders. The problem is that when a political community is constituted, the act of constituting per definition is unconstitutional or extra-legal. For this reason the question of new beginnings is a political and not a legal question. The question of what the authority of the constituent act is presents an important question since the constitution is the fundamental law from which the legitimacy or authority of all other laws is derived. The problem for this paper is whether and in what way it is possible to think new beginnings that are not merely institutionalizations of factual relations of domination or arbitrary acts of violence. This problem is discussed on basis of two revolutionary theories in the tradition of constituent power—Emmanuel Sieyès and Hannah Arendt—that both understand power to emanate from below and not from above whereby they both, though in different way, present arguments against the understanding that new beginnings merely are institutionalizations of relations of domination and arbitrary acts of violence. The question of whether and to what extent they are successful and whether their theories are democratic will finally be discussed.

  19. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s Survival Tips Brochures & Resource Sheets Books, CDs & More! Donate Today Your support will help us continue to meet the needs of millions of people with Sjögren's and those ...

  20. Betwixt and Between: Liminality in Beginning Teaching

    Science.gov (United States)

    Pierce, Kathleen M.

    2007-01-01

    This article discusses what it means to be a beginning teacher from the perspective of four mid-career entrants to the profession. Findings from this ethnographic study suggest that regardless of preservice teacher preparation or school districts' formal induction practices, newcomers experience a dramatic threshold or liminal phase among…

  1. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Breakthrough Goal >1 Year Update >2 Year Update >3 Year Update News & Events > Walkabouts > Sip for Sjogren's > ... to begin. This program will introduce you to three Sjögren’s patients who will share their journey with ...

  2. 38 CFR 21.9625 - Beginning dates.

    Science.gov (United States)

    2010-07-01

    ...) (b) Certification for program of education that leads to a standard college degree. (1) When the... that does not lead to a standard college degree. (1) When an eligible individual enrolls at an... to a standard college degree, the beginning date of the award of educational assistance will be...

  3. The Oxford Picture Dictionary. Beginning Workbook.

    Science.gov (United States)

    Fuchs, Marjorie

    The beginning workbook of the Oxford Picture Dictionary is in full color and offers vocabulary reinforcement activities that correspond page for page with the dictionary. Clear and simple instructions with examples make it suitable for independent use in the classroom or at home. The workbook has up-to-date art and graphics, explaining over 3700…

  4. Vector Knowledge of Beginning Physics Students.

    Science.gov (United States)

    Knight, Randall D.

    1995-01-01

    Presents the Vector Knowledge Test that was designed to see if beginning physics students possess the minimal basic knowledge of vectors that will allow them to proceed with a study of Newtonian mechanics. Concludes that only one-third of the students in a calculus-based introductory course at California Polytechnic had sufficient vector…

  5. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Information Sjögren’s FAQs Glossary Living With Sjögren’s > Dry Eye Tips > Dry Mouth ... Sjögren’s Syndrome: A Place To Begin from Sjögren’s Syndrome Foundation ...

  6. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Dry Eyes >> Resources > Dry Mouth Diagnosis Treatments Patient Information Faces of Sjögren's Clinical Trials Resources Video: A Place to Begin Family & Friends Information Sjögren’s FAQs Glossary Living With Sjögren’s > Dry Eye ...

  7. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... who care about them. Home > About Sjögren's When a person is diagnosed with Sjögren’s, they often don' ... Sjögren’s. From there, we hope you will have a place to begin as you develop a partnership ...

  8. An ENSO beginning in the year 2000?

    Digital Repository Service at National Institute of Oceanography (India)

    Gopinathan, C.K.

    Several models have been developed over the last few decades to predict the advent of new ENSO events several months in advance of the actual event. None of the models have predicted a warm event beginning by the year 2000. Positive SST anomalies...

  9. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... SJÖGREN'S RESOURCE Home | Login/Register | SSF Store | Contact Us About Sjögren's Symptoms > Dry Eyes >> Resources > Dry Mouth Diagnosis Treatments Patient Information Faces of Sjögren's Clinical Trials Resources Video: A Place to Begin Family & Friends ...

  10. Faceted metal and metal oxide nanoparticles: design, fabrication and catalysis

    Science.gov (United States)

    Pal, Jaya; Pal, Tarasankar

    2015-08-01

    The review addresses new advances in metal, bimetallic, metal oxide, and composite particles in their nanoregime for facet-selective catalytic applications. The synthesis and growth mechanisms of the particles have been summarized in brief in this review with a view to develop critical examination of the faceted morphology of the particles for catalysis. The size, shape and composition of the particles have been found to be largely irrelevant in comparison to the nature of facets in catalysis. Thus selective high- and low-index facets have been found to selectively promote adsorption, which eventually leads to an effective catalytic reaction. As a consequence, a high density of atoms rest at the corners, steps, stages, kinks etc on the catalyst surface in order to host the adsorbate efficiently and catalyze the reaction. Again, surface atomic arrangement and bond length have been found to play a dominant role in adsorption, leading to effective catalysis.

  11. Catalysis induced by radiations; Catalisis inducida por radiaciones

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez B, J.; Gonzalez J, J. C., E-mail: jaime.jimenez@inin.gob.m [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2010-07-01

    In Mexico is generated a great quantity of residuals considered as dangerous, for its capacity of corrosion, reactivity, toxicity to the environment, inflammability and biological-infectious potential. It is important to mention that the toxic compounds cannot be discharged to the sewerage systems and much less to the receiving bodies of water. The usual treatment that receives the dangerous residuals is the incineration and the bordering. The incineration is an efficient form of treating the residuals, but it can be dioxins source and benzofurans, being the phenol and chloro phenol the precursors of these compounds. At the present time the radiolytic degradation of organic compounds has been broadly studied, especially the 4-chloro phenol and of same form the photo catalysis of organic compounds. However the combination of both processes, called radio catalysis is barely reported. In this work the results of the experiments realized for to degrade the 4-chloro phenol by means of radio catalysis are reported. (Author)

  12. Living the Life of the Social Inquirer: Beginning Educational Research

    OpenAIRE

    Watson, Cate

    2005-01-01

    Ich gehe davon aus, dass sich pädagogische Forschung in der Regel viel zu sehr dem Erlernen von Verfahren und viel zu wenig dem Vertrautwerden mit Methodologie(n) widmet. Eine Konsequenz aus diesem Ungleichgewicht ist der vergleichsweise hohe Anteil an Forschung, die soziale Konstrukte unkritisch als objektive Gegebenheiten behandelt und sich kaum mit der Beziehung zwischen Forschung und Praxis befasst. In meinem Beitrag versuche ich zunächst zu verdeutlichen, warum eine Beschäftigung mit den...

  13. A Possible Macroscopic-Photo-Catalysis Mechanism in Solar Furnace

    Institute of Scientific and Technical Information of China (English)

    HO Tsohsiu; QING Cheng-Rui; CHEN Ying-Tian

    2011-01-01

    Based on the experimental results of Chen et al.to use the solar furnace and medium frequency induction furnace to extract boron impurity from metallurgical silicon, we propose a strong radiation catalysis mechanism to explain the difference of reaction rates in these two furnaces.The postulate assuming the photons striking on the material not only increase the thermal energy of the molecules of reactants but also lower down the energy barrier of the reaction to speed up the chemical reaction.It is believed the photon catalysis mechanism is universall in most of high temperature chemical reactions and looking forward to more evidences for the postulate proposed in this article.

  14. 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

  15. Role of catalysis in sustainable production of synthetic elastomers

    Indian Academy of Sciences (India)

    Vivek K Srivastava; Madhuchhanda Maiti; Ganesh C Basak; Raksh V Jasra

    2014-03-01

    Elastomer business plays a significant role in the transportation industry. In fact, elastomers make the world move. Due to limited availability of natural rubber, synthetic elastomers bridge the gap between demand and supply in today’s growing tyre and automobile industry.With more than ∼10000 KTA total world productions, the impact of synthetic elastomer business cannot be overlooked. The need of synthetic elastomers for tyre and automobile industries is stringently specific. Catalysis plays an inevitable role in achieving the growing demand of specific synthetic elastomers. The present study will describe how catalysis plays a significant role in the sustainable development of elastomers with special reference to polybutadiene rubber.

  16. Switching on Elusive Organometallic Mechanisms with Photoredox Catalysis

    OpenAIRE

    Terrett, Jack A.; Cuthbertson, James D.; Shurtleff, Valerie W.; MacMillan, David W. C.

    2015-01-01

    Transition metal-catalyzed cross-coupling reactions have become one of the most utilized carbon–carbon and carbon–heteroatom bond-forming reactions in chemical synthesis. More recently, nickel catalysis has been shown to participate in a wide variety of C–C bond forming reactions, most notably Negishi, Suzuki–Miyaura, Stille, Kumada, and Hiyama couplings 1,2 . Despite the tremendous advances in C–C fragment couplings, the ability to forge C–O bonds in a general fashion via nickel catalysis ha...

  17. Negative-Ion Catalysis of Methane to Methanol without CO2 Emission

    Science.gov (United States)

    Tesfamichael, A.; Suggs, K.; Felfli, Z.; Msezane, A. Z.

    2013-05-01

    We have carried out a theoretical investigation of the catalytic activities of the atomic Y-, Ru-, At-, In-, Pd-, Ag-, Os- and Pt- ions for the selective partial oxidation of methane to methanol without CO2 emission. The objective was to identify effective atomic negative ion catalysts using the data for the atomic Au- ion as the benchmark. The role of the atomic negative ions in catalysis is essentially to disrupt the C-H bonding in CH4 oxidation thereby eliminate the competition from the carbon dioxide formation. Dispersion-corrected density-functional theory has been used for the investigation. From the energy barrier calculations and the thermodynamics of the reactions, we conclude that the catalytic effect of the atomic Ag-, At-, Ru-, and Os- ions is higher than that of the atomic Au- ion catalysis of CH4 conversion to methanol. By controlling the temperature around 290, 300, 310, 320 and 325 K methane can be completely oxidized to methanol without the emission of the CO2 through the atomic Os-, Ag-, At-, Ru- and Au- ion catalysts, respectively. We conclude by recommending the investigation of the catalytic activities of combinations of the above negative ions for significant enhancement of the selective partial oxidation of methane to methanol. Research supported by Army Research Office (Grant W911NF-11-1-0194); the US DOE, Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research and AFOSR (Grants FA9550-10-1-0254).

  18. Teaching Beginning Braille Reading Using an Alphabet or Uncontracted Braille Approach

    Science.gov (United States)

    Day, Janice Neibaur; McDonnell, Andrea P.; O'Neill, Rob

    2008-01-01

    This study examined the effects of using a research based print reading program modified to accommodate beginning braille readers using an alphabet or uncontracted braille reading approach with five beginning braille readers. Four of the 5 participants displayed a clear increase in their ability to read high frequency words when they began using…

  19. Education for All: Exploring What Student Teachers and Beginning Teachers Really Know

    Science.gov (United States)

    Onyefulu, Cynthia; Williams-Shakespeare, Eraldine; Thomas-James, Anita

    2014-01-01

    The purpose of this study was to find out what student teachers and beginning teachers from a teacher training institution knew about Education for All (EFA). The study was guided by three research questions. Two null hypotheses were tested. The participants (student teachers and beginning teachers) were from a teacher training institution in…

  20. New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.

    Science.gov (United States)

    Huang, Daria L; Beltrán-Suito, Rodrigo; Thomsen, Julianne M; Hashmi, Sara M; Materna, Kelly L; Sheehan, Stafford W; Mercado, Brandon Q; Brudvig, Gary W; Crabtree, Robert H

    2016-03-01

    This paper introduces Ir(I)(CO)2(pyalc) (pyalc = (2-pyridyl)-2-propanoate) as an atom-efficient precursor for Ir-based homogeneous oxidation catalysis. This compound was chosen to simplify analysis of the water oxidation catalyst species formed by the previously reported Cp*Ir(III)(pyalc)OH water oxidation precatalyst. Here, we present a comparative study on the chemical and catalytic properties of these two precursors. Previous studies show that oxidative activation of Cp*Ir-based precursors with NaIO4 results in formation of a blue Ir(IV) species. This activation is concomitant with the loss of the placeholder Cp* ligand which oxidatively degrades to form acetic acid, iodate, and other obligatory byproducts. The activation process requires substantial amounts of primary oxidant, and the degradation products complicate analysis of the resulting Ir(IV) species. The species formed from oxidation of the Ir(CO)2(pyalc) precursor, on the other hand, lacks these degradation products (the CO ligands are easily lost upon oxidation) which allows for more detailed examination of the resulting Ir(pyalc) active species both catalytically and spectroscopically, although complete structural analysis is still elusive. Once Ir(CO)2(pyalc) is activated, the system requires acetic acid or acetate to prevent the formation of nanoparticles. Investigation of the activated bis-carbonyl complex also suggests several Ir(pyalc) isomers may exist in solution. By (1)H NMR, activated Ir(CO)2(pyalc) has fewer isomers than activated Cp*Ir complexes, allowing for advanced characterization. Future research in this direction is expected to contribute to a better structural understanding of the active species. A diol crystallization agent was needed for the structure determination of 3. PMID:26901517

  1. Atherosclerotic Cardiovascular Disease Beginning in Childhood

    OpenAIRE

    Hong, Young Mi

    2010-01-01

    Although the clinical manifestations of cardiovascular disease (CVD), such as myocardial infarction, stroke, and peripheral vascular disease, appear from middle age, the process of atherosclerosis can begin early in childhood. The early stage and progression of atherosclerosis in youth are influenced by risk factors that include obesity, hypertension, dyslipidemia, and smoking, and by the presence of specific diseases, such as diabetes mellitus and Kawasaki disease (KD). The existing evidence...

  2. [When does human life begin? Legal considerations].

    Science.gov (United States)

    Koch, H G

    1993-11-01

    There have been attempts to define the beginning of life from a legal point of view. The German civil code of 1923 specified that only that entity can have birthright that was alive at the time of succession. Whoever was not alive at the time of succession but was already fertilized would be deemed as born before the succession. The law in this instance does not really define life, rather it regulates the hereditary right of the fetus. Less subject to misunderstanding is Paragraph 1 of the German Law Book, which refers to the legal rights of human beings from the completion of birth, specifying only the live born and not the still-born. The embryo protection law in force as of January 1, 1991, defines the beginning of life in a medical sense, to wit, the embryo is the fertilized egg cell capable of development already from the time of fertilization. Additionally every cell with the potential to divide and develop into an individual is assumed as an embryo. No other law explicitly provides a similar definition of the appearance of early human life. Some foreign legal precepts designate the embryonic conceptus the preembryo, which could be subjected to procedures in reproductive medicine to which more developed embryos could not be. According to the valid Paragraph 219 d of the Penal Code, a procedure is not considered an abortion when its effects occur before the completion of nidation of the fertilized egg cell in the uterus. This does not define the beginning of life, it only says something about the beginning of legal protection of unborn life. In the view of constitutional law Article 2, Section 2 of the German Basic Law, every person has the right to life and bodily integrity, which rights can only be infringed on in accordance with the law. However, personhood and life are not defined. PMID:8303918

  3. Radiotherapy in veterinary medicine: beginnings and perspectives

    International Nuclear Information System (INIS)

    This work presents a brief historical about the use of ionizing radiations in Veterinary Medicine, instructing the physical beginnings and techniques wrapped in the realization of the proceedings of radiotherapy in animals, illustrating some treated cases, highlighting the difficulties and pointing to the perspectives and importance of the acting of the medical physics in this kind of therapeutic still little used in the national scenery. (author)

  4. Helicobacter pylori: Beginning the Second Decade

    OpenAIRE

    Matisko, Ann; Thomson, ABR

    1995-01-01

    Beginning the Second Decade’ - a recent international meeting on Helicobacter pylori - was held in conjunction with the VIIth International Workshop on Gastroduodenal Pathology and H pylori and with the meeting of the European Helicobacter pylori Study Group in Houston, Texas from September 30 to October 1, 1994. A menu of 476 abstracts, published in the American Journal of Gastroenterology (1994;89:8), highlighted the explosion of advances in this area. The Houston meeting was followed by t...

  5. "Homeopathic" palladium nanoparticle catalysis of cross carbon-carbon coupling reactions.

    Science.gov (United States)

    Deraedt, Christophe; Astruc, Didier

    2014-02-18

    Catalysis by palladium derivatives is now one of the most important tools in organic synthesis. Whether researchers design palladium nanoparticles (NPs) or nanoparticles occur as palladium complexes decompose, these structures can serve as central precatalysts in common carbon-carbon bond formation. Palladium NPs are also valuable alternatives to molecular catalysts because they do not require costly and toxic ligands. In this Account, we review the role of "homeopathic" palladium catalysts in carbon-carbon coupling reactions. Seminal studies from the groups of Beletskaya, Reetz, and de Vries showed that palladium NPs can catalyze Heck and Suzuki-Miyaura reactions with aryl iodides and, in some cases, aryl bromides at part per million levels. As a result, researchers coined the term "homeopathic" palladium catalysis. Industry has developed large-scale applications of these transformations. In addition, chemists have used Crooks' concept of dendrimer encapsulation to set up efficient nanofilters for Suzuki-Miyaura and selective Heck catalysis, although these transformations required high PdNP loading. With arene-centered, ferrocenyl-terminated dendrimers containing triazolyl ligands in the tethers, we designed several generations of dendrimers to compare their catalytic efficiencies, varied the numbers of Pd atoms in the PdNPs, and examined encapsulation vs stabilization. The catalytic efficiencies achieved "homeopathic" (TON = 540 000) behavior no matter the PdNP size and stabilization type. The TON increased with decreasing the Pd/substrate ratio, which suggested a leaching mechanism. Recently, we showed that water-soluble arene-centered dendrimers with tri(ethylene glycol) (TEG) tethers stabilized PdNPs involving supramolecular dendritic assemblies because of the interpenetration of the TEG branches. Such PdNPs are stable and retain their "homeopathic" catalytic activities for Suzuki-Miyaura reactions for months. (TONs can reach 2.7 × 10(6) at 80 °C for aryl

  6. 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...

  7. Heterogeneous Catalysis: On Bathroom Mirrors and Boiling Stones

    Science.gov (United States)

    Philipse, Albert P.

    2011-01-01

    Though heterogeneous nucleation of liquid droplets on a smooth surface (such as a bathroom mirror) is a classical topic in nucleation theory, it is not well-known that this topic is actually a pedagogical example of heterogeneous catalysis: the one and only effect of the surface is to lower the activation Gibbs energy of droplet formation. In…

  8. A Course in Heterogeneous Catalysis Involving Video-Based Seminars.

    Science.gov (United States)

    White, Mark G.

    1984-01-01

    A video-based format was used during a graduate seminar course designed to educate students on the nature of catalysis, to help transfer information among students working on similar problems, and to improve communication skills. The mechanics of and student reaction to this seminar course are discussed. (JN)

  9. Surface Chemistry in Heterogeneous Catalysis: An Emerging Discipline.

    Science.gov (United States)

    White, J. M.; Campbell, Charles T.

    1980-01-01

    Provides background data on surface chemistry as an emerging discipline. Highlights the important role which surfaces play in catalysis by focusing on the catalyzed oxidation of carbon monoxide. Provides a demonstration of how surfaces exert their influences in heterogeneous phenomena and illustrates how experimental problems in this field are…

  10. Support and promoter effects in automotive exhaust catalysis

    NARCIS (Netherlands)

    Lepage, M.

    2009-01-01

    Automotive catalysis being a mature technology, it can only be improved by the introduction of new breakthroughs. The ideas generating these technical advances in material science can be found thanks to the synthesis and study of model systems with controlled geometries, compositions, interactions a

  11. Early Main Group Metal Catalysis : How Important is the Metal?

    NARCIS (Netherlands)

    Penafiel, Johanne; Maron, Laurent; Harder, Sjoerd

    2015-01-01

    Organocalcium compounds have been reported as efficient catalysts for various alkene transformations. In contrast to transition metal catalysis, the alkenes are not activated by metal-alkene orbital interactions. Instead it is proposed that alkene activation proceeds through an electrostatic interac

  12. Self-catalysis growth of zinc oxide nanopillar array

    Institute of Scientific and Technical Information of China (English)

    YUAN Zhihao; DUAN Yueqin; WU Yang; BIE Lijian; FAN Shoushan

    2005-01-01

    Zn nanodot array was prepared by using a nano-masking with porous alumina membrane as mask. Based on such a nanodot array, a self-catalysis method was developed for fabricating ZnO nanopillars on Si substrate. The resultant nanopillars show a two-dimensional, and regular array with uniform size and orientation.

  13. Helicene-Based Phosphite Ligands in Asymmetric Transition-Metal Catalysis: Exploring Rh-Catalyzed Hydroformylation and Ir-Catalyzed Allylic Amination

    Czech Academy of Sciences Publication Activity Database

    Krausová, Zuzana; Sehnal, Petr; Bondzic, B. P.; Chercheja, S.; Eilbracht, P.; Stará, Irena G.; Šaman, David; Starý, Ivo

    -, 20/21 (2011), s. 3849-3857. ISSN 1434-193X R&D Projects: GA ČR GA203/09/1766; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : asymmetric catalysis * helical structures * P ligands * hydroformylation * amination Subject RIV: CC - Organic Chemistry Impact factor: 3.329, year: 2011

  14. Alkene and Diene Complexes with [(C5Me4CnF2n+1)Rh] Fragment for Fluorous Biphase Catalysis

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jan; Strašák, Tomáš; Krupková, Alena; Auerová, Kateřina

    -: -, 2008 - (Baxter, D.; Bay, B.), P 274 ISBN N. [16th International Symposium on Homogeneous Catalysis , ISHC-XVI. Florence (IT), 06.07.2008-11.07.2008] R&D Projects: GA MŠk(CZ) LC06070 Institutional research plan: CEZ:AV0Z40720504 Keywords : rhodium complexes * fluorous cyclopentadienes * alkene complexes Subject RIV: CC - Organic Chemistry

  15. Asymmetric catalysis in Brazil: development and potential for advancement of Brazilian chemical industry

    International Nuclear Information System (INIS)

    The preparation of enantiomerically pure or enriched substances is of fundamental importance to pharmaceutical, food, agrochemical, and cosmetics industries and involves a growing market of hundreds of billions of dollars. However, most chemical processes used for their production are not environmentally friendly because in most cases, stoichiometric amounts of chiral inductors are used and substantial waste is produced. In this context, asymmetric catalysis has emerged as an efficient tool for the synthesis of enantiomerically enriched compounds using chiral catalysts. More specifically, considering the current scenario in the Brazilian chemical industry, especially that of pharmaceuticals, the immediate prospect for the use of synthetic routes developed in Brazil in an enantioselective fashion or even the discovery of new drugs is practically null. Currently, the industrial production of drugs in Brazil is primarily focused on the production of generic drugs and is basically supported by imports of intermediates from China and India. In order to change this panorama and move forward toward the gradual incorporation of genuinely Brazilian synthetic routes, strong incentive policies, especially those related to continuous funding, will be needed. These incentives could be a breakthrough once we establish several research groups working in the area of organic synthesis and on the development and application of chiral organocatalysts and ligands in asymmetric catalysis, thus contributing to boost the development of the Brazilian chemical industry. Considering these circumstances, Brazil can benefit from this opportunity because we have a wide biodiversity and a large pool of natural resources that can be used as starting materials for the production of new chiral catalysts and are creating competence in asymmetric catalysis and related areas. This may decisively contribute to the growth of chemistry in our country. (author)

  16. Lean NOx Trap Catalysis for Lean Natural Gas Engine Applications

    Energy Technology Data Exchange (ETDEWEB)

    Parks, II, James E [ORNL; Storey, John Morse [ORNL; Theiss, Timothy J [ORNL; Ponnusamy, Senthil [ORNL; Ferguson, Harley Douglas [ORNL; Williams, Aaron M [ORNL; Tassitano, James B [ORNL

    2007-09-01

    efficiency and emissions of natural gas reciprocating engines are being pursued. Approaches include: stoichiometric engine operation with exhaust gas recirculation and three-way catalysis, advanced combustion modes such as homogeneous charge compression ignition, and extension of the lean combustion limit with advanced ignition concepts and/or hydrogen mixing. The research presented here addresses the technical approach of combining efficient lean spark-ignited natural gas combustion with low emissions obtained from a lean NOx trap catalyst aftertreatment system. This approach can be applied to current lean engine technology or advanced lean engines that may result from related efforts in lean limit extension. Furthermore, the lean NOx trap technology has synergy with hydrogen-assisted lean limit extension since hydrogen is produced from natural gas during the lean NOx trap catalyst system process. The approach is also applicable to other lean engines such as diesel engines, natural gas turbines, and lean gasoline engines; other research activities have focused on those applications. Some commercialization of the technology has occurred for automotive applications (both diesel and lean gasoline engine vehicles) and natural gas turbines for stationary power. The research here specifically addresses barriers to commercialization of the technology for large lean natural gas reciprocating engines for stationary power. The report presented here is a comprehensive collection of research conducted by Oak Ridge National Laboratory (ORNL) on lean NOx trap catalysis for lean natural gas reciprocating engines. The research was performed in the Department of Energy's ARES program from 2003 to 2007 and covers several aspects of the technology. All studies were conducted at ORNL on a Cummins C8.3G+ natural gas engine chosen based on industry input to simulate large lean natural gas engines. Specific technical areas addressed by the research include: NOx reduction efficiency, partial

  17. Did time begin? Will time end?

    OpenAIRE

    Frampton, Paul H.

    2007-01-01

    Did time begin at a Big Bang? Will the present expansion of the universe last for a finite or infinite time? These questions sound philosophical but are becoming, now in the twenty-first century, central to the scientific study of cosmology. The answers, which should become clarified in the next decade or two, could have profound implications for how we see our own role in the universe. Since the original publication of Stephen Hawking's {\\it A Brief History of Time} in 1988, the answers to t...

  18. Beginning database design from novice to professional

    CERN Document Server

    Churcher, Clare

    2012-01-01

    Beginning Database Design, Second Edition provides short, easy-to-read explanations of how to get database design right the first time. This book offers numerous examples to help you avoid the many pitfalls that entrap new and not-so-new database designers. Through the help of use cases and class diagrams modeled in the UML, you'll learn to discover and represent the details and scope of any design problem you choose to attack. Database design is not an exact science. Many are surprised to find that problems with their databases are caused by poor design rather than by difficulties in using th

  19. Beginning programming with Python for dummies

    CERN Document Server

    Mueller, John Paul

    2014-01-01

    Learn Python-the fun and easy way-and get in the programming game today! Python is one of the fastest growing programming languages, and no wonder. It requires three to five times less time than developing in Java, is a great building block for learning both procedural and object-oriented programming concepts, and is an ideal language for data analysis. Beginning Programming with Python For Dummies is the perfect guide to this dynamic and powerful programming language-even if you''ve never coded before! Author John Paul Mueller draws on his vast programming knowledge and experience to guide yo

  20. Beginning C# Object-Oriented Programming

    CERN Document Server

    Clark, Dan

    2011-01-01

    Beginning C# Object-Oriented Programming brings you into the modern world of development as you master the fundamentals of programming with C# and learn to develop efficient, reusable, elegant code through the object-oriented programming (OOP) methodology. Take your skills out of the 20th century and into this one with Dan Clark's accessible, quick-paced guide to C# and object-oriented programming, completely updated for .NET 4.0 and C# 4.0. As you develop techniques and best practices for coding in C#, one of the world's most popular contemporary languages, you'll experience modeling a "real

  1. Beginning ASPNET 4 in C# 2010

    CERN Document Server

    MacDonald, Matthew

    2010-01-01

    The most up-to-date and comprehensive introductory ASP.NET book you'll find on any shelf, Beginning ASP.NET 4 in C# 2010 guides you through Microsoft's latest technology for building dynamic web sites. This book will enable you to build dynamic web pages on the fly, and assumes only the most basic knowledge of C#. The book provides exhaustive coverage of ASP.NET, guiding you from your first steps right up to the most advanced techniques, such as querying databases from within a web page and tuning your site for optimal performance. Within these pages, you'll find tips for "best practices&

  2. Beginning ASPNET 4 in VB 2010

    CERN Document Server

    MacDonald, Matthew

    2010-01-01

    The most up-to-date and comprehensive introductory ASP.NET book you'll find on any shelf, Beginning ASP.NET 4 in VB 2010 guides you through Microsoft's latest technology for building dynamic web sites. This book will enable you to build dynamic web pages on the fly, and assumes only the most basic knowledge of Visual Basic. The book provides exhaustive coverage of ASP.NET, guiding you from your first steps right up to the most advanced techniques, such as querying databases from within a web page and tuning your site for optimal performance. Within these pages, you'll find tips for best practi

  3. Construction begins on LHC transfer tunnel

    CERN Multimedia

    Laurent Guiraud

    1999-01-01

    Engineers begin work on one of the transfer tunnels that will provide pre-accelerated proton beams from the SPS to the LHC, CERN's new particle accelerator. While this work is being done, beams are still being accelerated in the current LEP accelerator to study as much of the outer reaches of physics as it can before closure in 2000 to make way for the LHC. Because of this, the tunnel is being built from an access shaft towards the smaller SPS pre-accelerator before the tunnel is extended to the large soon-to-be LHC tunnel.

  4. Beginning programming with Java for dummies

    CERN Document Server

    Burd, Barry

    2014-01-01

    A practical introduction to programming with Java Beginning Programming with Java For Dummies, 4th Edition is a comprehensive guide to learning one of the most popular programming languages worldwide. This book covers basic development concepts and techniques through a Java lens. You'll learn what goes into a program, how to put the pieces together, how to deal with challenges, and how to make it work. The new Fourth Edition has been updated to align with Java 8, and includes new options for the latest tools and techniques. Java is the predominant language used to program Android and cloud app

  5. Beginning Python from novice to professional

    CERN Document Server

    Hetland, Magnus Lie

    2005-01-01

    ""Beginning Python: From Novice to Professional"" is the most comprehensive book on the Python ever written. Based on ""Practical Python,"" this newly revised book is both an introduction and practical reference for a swath of Python-related programming topics, including addressing language internals, database integration, network programming, and web services. Advanced topics, such as extending Python and packaging/distributing Python applications, are also covered. Ten different projects illustrate the concepts introduced in the book. You will learn how to create a P2P file-sharing applicati

  6. Anionic chiral tridentate N-donor pincer ligands in asymmetric catalysis.

    Science.gov (United States)

    Deng, Qing-Hai; Melen, Rebecca L; Gade, Lutz H

    2014-10-21

    made them attractive targets for mechanistic studies into a wide range of these transformations, thus providing the type of insight required for a more rational approach to catalyst development. This Account reviews work performed by us and other groups in the field and places it into perspective in relation to general research efforts in enantioselective catalysis. PMID:25166279

  7. From student to beginning teacher: Learning strengths and teaching challenges

    Directory of Open Access Journals (Sweden)

    Monica McGlynn-Stewart

    2015-12-01

    Full Text Available This research examined how the professional practice of Canadian beginning elementary teachers was influenced by their own early learning experiences in school. Six teachers were observed and interviewed in their classrooms five times over the first three years of their teaching career. Case studies were developed for each teacher and themes were explored across cases. The findings from this study suggest that pre-service and in-service teacher education programs need to provide teachers with opportunities to critically examine how their relative strengths and weaknesses as pupils may affect their performance and identity as teachers.

  8. Synthetic strategies for controlling inter- and intramolecular interactions: Applications in single-molecule fluorescence imaging, bioluminescence imaging, and palladium catalysis

    Science.gov (United States)

    Conley, Nicholas R.

    The field of synthetic organic chemistry has reached such maturity that, with sufficient effort and resources, the synthesis of virtually any small molecule which exhibits reasonable stability at room temperature can be realized. While representing a monumental achievement for the field, the ability to exert precise control over molecular structure is just a means to an end, and it is frequently the responsibility of the synthetic chemist to determine which molecules should actually be synthesized. For better or worse, there exists no competitive free market in academia for new molecules, and as a result, the decision of which compounds should be synthesized is seldom driven by the forces of supply and demand; rather, it is guided by the synthetic chemist's interest in an anticipated structure-function relationship or in the properties of a previously unstudied class of molecules. As a consequence, there exists a pervasive need for chemists with synthetic expertise in fields (e.g., molecular imaging) and subdisciplines of chemistry (e.g., physical chemistry) in which the identification of promising synthetic targets dramatically outpaces the synthetic output in that field or subdiscipline, and ample opportunities are available for synthetic chemists who choose to pursue such cross-disciplinary research. This thesis describes synthetic efforts that leverage these opportunities to realize applications in biological imaging and in palladium catalysis. In Part I, the synthesis and characterization of three novel luminophores and their imaging applications are discussed. The first is a molecular beacon that utilizes a fluorophorefluorophore pair which exhibits H-dimer quenching in the closed conformation. This probe offers several advantages over conventional fluorophore-quencher molecular beacons in the detection of oligonucleotides, both in bulk and at the single-molecule level. Secondly, a fluorescent, Cy3-Cy5 covalent heterodimer is reported, which on account of the

  9. Molecular Heterogeneous Catalysis: a Single-Site Zeolite-Supported Rhodium Complex for Acetylene Cyclotrimerization

    International Nuclear Information System (INIS)

    By anchoring metal complexes to supports, researchers have attempted to combine the high activity and selectivity of molecular homogeneous catalysis with the ease of separation and lack of corrosion of heterogeneous catalysis. However, the intrinsic nonuniformity of supports has limited attempts to make supported catalysts truly uniform. We report the synthesis and performance of such a catalyst, made from (Rh(C2H4)2(CH3COCHCOCH3)) and a crystalline support, dealuminated Y zeolite, giving {Rh(C2H4)2} groups anchored by bonds to two zeolite oxygen ions, with the structure determined by extended X-ray absorption fine structure (EXAFS) spectroscopy and the uniformity of the supported complex demonstrated by 13C NMR spectroscopy. When the ethylene ligands are replaced by acetylene, catalytic cyclotrimerization to benzene ensues. Characterizing the working catalyst, we observed evidence of intermediates in the catalytic cycle by NMR spectroscopy. Calculations at the level of density functional theory confirmed the structure of the as-synthesized supported metal complex determined by EXAFS spectroscopy. With this structure as an anchor, we used the computational results to elucidate the catalytic cycle (including transition states), finding results in agreement with the NMR spectra.

  10. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Tips > Surgery Tips Survival Tips Brochures & Resource Sheets Books, CDs & More! About the Foundation Mission Breakthrough Goal > ... Social Network Host an SSF Event SSF Store - Books, CDs & More Wake Up, Koala! Provider/Researcher Research ...

  11. Before the beginning our universe and others

    CERN Document Server

    Rees, Martin

    1997-01-01

    "Although we cannot observe them (and they may be forever inaccessible), other universes are a natural expectation from current cosmology. Moreover, many features of our universe that otherwise seem baffling fall into place once we recognize this." Sir Martin Rees, the British Astronomer Royal, gives a vivid, occasionally acid tour of current astrophysics and cosmology, with insights into scientific politics, such as the enormous increase in the cost of the space telescope because of its association with the Space Shuttle. He also offers keen observations on personalities such as Subrahmayan Chandrasekhar and Isaac Newton, Yakov Zeldovich and Albert Einstein. Joseph Silk calls Before the Beginning "an unusual blend of wit, asperity and cosmology ... a combination of clarity and conciseness."

  12. How to Begin a Quality Improvement Project.

    Science.gov (United States)

    Silver, Samuel A; Harel, Ziv; McQuillan, Rory; Weizman, Adam V; Thomas, Alison; Chertow, Glenn M; Nesrallah, Gihad; Bell, Chaim M; Chan, Christopher T

    2016-05-01

    Quality improvement involves a combined effort among health care staff and stakeholders to diagnose and treat problems in the health care system. However, health care professionals often lack training in quality improvement methods, which makes it challenging to participate in improvement efforts. This article familiarizes health care professionals with how to begin a quality improvement project. The initial steps involve forming an improvement team that possesses expertise in the quality of care problem, leadership, and change management. Stakeholder mapping and analysis are useful tools at this stage, and these are reviewed to help identify individuals who might have a vested interest in the project. Physician engagement is a particularly important component of project success, and the knowledge that patients/caregivers can offer as members of a quality improvement team should not be overlooked. After a team is formed, an improvement framework helps to organize the scientific process of system change. Common quality improvement frameworks include Six Sigma, Lean, and the Model for Improvement. These models are contrasted, with a focus on the Model for Improvement, because it is widely used and applicable to a variety of quality of care problems without advanced training. It involves three steps: setting aims to focus improvement, choosing a balanced set of measures to determine if improvement occurs, and testing new ideas to change the current process. These new ideas are evaluated using Plan-Do-Study-Act cycles, where knowledge is gained by testing changes and reflecting on their effect. To show the real world utility of the quality improvement methods discussed, they are applied to a hypothetical quality improvement initiative that aims to promote home dialysis (home hemodialysis and peritoneal dialysis). This provides an example that kidney health care professionals can use to begin their own quality improvement projects. PMID:27016497

  13. Carbon mediated catalysis:A review on oxidative dehydrogenation

    Institute of Scientific and Technical Information of China (English)

    De Chen; Anders Holmen; Zhijun Sui; Xinggui Zhou

    2014-01-01

    Carbon mediated catalysis has gained an increasing attention in both areas of nanocatalysis and nanomaterials. The progress in carbon nanomaterials provides many new opportunities to manip-ulate the types and properties of active sites of catalysts through manipulating structures, function-alities and properties of carbon surfaces. The present review focuses on progresses in carbon medi-ated oxidative dehydrogenation reactions of ethylbenzene, propane, and butane. The state-of-the-art of the developments of carbon mediated catalysis is discussed in terms of fundamental studies on adsorption of oxygen and hydrocarbons, reaction mechanism as well as effects of carbon nano-material structures and surface functional groups on the catalytic performance. We highlight the importance and challenges in tuning of the electron density of carbon and oxygen on carbon surfac-es for improving selectivity in oxidative dehydrogenation reactions.

  14. 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.

  15. Magnetic Catalysis of Chiral Symmetry Breaking. A Holographic Prospective

    CERN Document Server

    Filev, Veselin G; 10.1155/2010/473206

    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 review investigates the influence of external magnetic field on 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 non-relativistic dispersion relation. The studies reviewed confirm the universal nature of the magnetic catalysis of mass generation.

  16. Advantages of Catalysis in Self-Assembled Molecular Capsules.

    Science.gov (United States)

    Catti, Lorenzo; Zhang, Qi; Tiefenbacher, Konrad

    2016-06-27

    Control over the local chemical environment of a molecule can be achieved by encapsulation in supramolecular host systems. In supramolecular catalysis, this control is used to gain advantages over classical homogeneous catalysis in bulk solution. Two of the main advantages concern influencing reactions in terms of substrate and product selectivity. Due to size and/or shape recognition, substrate selective conversion can be realized. Additionally, noncovalent interactions with the host environment facilitate alternative reaction pathways and can yield unusual products. This Concept article discusses and highlights literature examples utilizing self-assembled molecular capsules to achieve catalytic transformations displaying a high degree of substrate and/or product selectivity. Furthermore, the advantage of supramolecular hosts in multicatalyst tandem reactions is covered. PMID:27150251

  17. From Inverse to Delayed Magnetic Catalysis in Strong Magnetic Field

    CERN Document Server

    Mao, Shijun

    2016-01-01

    We study magnetic field effect on chiral phase transition in a Nambu--Jona-Lasinio model. In comparison with mean field approximation containing quarks only, including mesons as quantum fluctuations in the model leads to a transition from inverse to delayed magnetic catalysis at finite temperature and delays the transition at finite baryon chemical potential. The location of the critical end point depends on the the magnetic field non-monotonously.

  18. Catalysis in the alkylation reaction of 1-naphthol with epichlorohydrin

    Directory of Open Access Journals (Sweden)

    SLOBODANKA JOVANOVIC

    2006-09-01

    Full Text Available Two new and improved procedures were developed for the synthesis of 1-(1-naphthyloxy-2,3-epoxypropane as an important intermediate in the production of the beta-blocker and antioxidant, 1-[(1-methylethylamino]-3-(1-naphthyloxy-2-propanol (propranolol. Both base homogeneous and heterogeneous PTC catalysis were employed. High yields and remarkable selectivity were achieved. The improved purity is particularly important, in view of the quality requirements for propranolol hydrochloride as an active pharmaceutical ingredient.

  19. Selective catalysis utilizing bifunctionalized MCM-41 mesoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Strosahl, Kasey Jean

    2005-05-01

    Selective catalysis is a field that has been under intense investigation for the last 100 years. The most widely used method involves catalysts with stereochemical selectivity. In this type of catalysis, the catalyst controls which reactants will be transformed into the desired product. The secret to employing this type of catalysis, though, is to design the proper catalyst, which can be difficult. One may spend as much time developing the catalyst as spent separating the various products achieved. Another method of selective catalysis is now being explored. The method involves utilizing a multifunctional mesoporous silica catalyst with a gate-keeping capability. Properly functionalized mesoporous materials with well-defined pore morphology and surface properties can provide an ideal three-dimensional environment for anchoring various homogeneous catalysts. These materials can circumvent the multi-sited two-dimensional nature most heterogeneous systems have without adversely impacting the reactant diffusivity. These single-site nanostructured catalysts with ordered geometrical structure are advantageous in achieving high selectivity and reactivity. Mesoporous materials can be prepared to include pores lined homogeneously with tethered catalysts via co-condensation. Additionally, these materials can be reacted with another (RO){sub 3}Si{approx}Z group by using the traditional grafting method; this group is anchored predominantly at the entrances to the pores rather than inside the pores. Thus, if these {approx}Z groups are chosen properly, they can select certain molecules to enter the pores and be converted to products (Scheme 1). In such multifunctional catalysts, the selectivity depends on the discrimination of the gatekeeper. Gate-keeping MCM-41 materials are at the forefront of catalytic substances.

  20. Bionic catalysis of porphyrin for electrochemical detection of nucleic acids

    International Nuclear Information System (INIS)

    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 O2. ► 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 O2 due to the largely loading of FeTMPyP and good conductivity. Based on bionic catalysis of porphyrin for the reduction of O2, 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.

  1. Collective synthesis of natural products by means of organocascade catalysis

    OpenAIRE

    Jones, Spencer B.; Simmons, Bryon; Mastracchio, Anthony; MacMillan, David W. C.

    2011-01-01

    Organic chemists are now able to synthesize small quantities of almost any known natural product, given sufficient time, resources and effort. However, translation of the academic successes in total synthesis to the large-scale construction of complex natural products and the development of large collections of biologically relevant molecules present significant challenges to synthetic chemists. Here we show that the application of two nature-inspired techniques, namely organocascade catalysi...

  2. Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis

    OpenAIRE

    Tasker, Sarah Z.; Jamison, Timothy F.

    2015-01-01

    Nickel/photoredox catalysis is used to synthesize indolines in one step from iodoacetanilides and alkenes. Very high regioselectivity for 3-substituted indoline products is obtained for both aliphatic and styrenyl olefins. Mechanistic investigations indicate that oxidation to Ni(III) is necessary to perform the difficult C–N bond-forming reductive elimination, producing a Ni(I) complex which in turn is reduced to Ni(0). This process serves to further demonstrate the utility of photoredox cata...

  3. 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...

  4. Global Solutions for a Class of Heterogeneous Catalysis Models

    OpenAIRE

    Bothe, Dieter; Köhne, Matthias; Maier, Siegfried; Saal, Jürgen

    2015-01-01

    We consider a mathematical model for heterogeneous catalysis in a finite three-dimensional pore of cylinder-like geometry, with the lateral walls acting as a catalytic surface. The system under consideration consists of a diffusion-advection system inside the bulk phase and a reaction-diffusion-sorption system modeling the processes on the catalytic wall and the exchange between bulk and surface. We assume Fickian diffusion with constant coefficients, sorption kinetics with linear growth boun...

  5. Quasi-Stationary Distributions for Models of Heterogeneous Catalysis

    OpenAIRE

    de Oliveira, Marcelo M.; Dickman, Ronald

    2004-01-01

    We construct the quasi-stationary (QS) distribution for two models of heterogeneous catalysis having two absorbing states: the ZGB model for the oxidation of CO, and a version with noninstantaneous reactions. Using a mean-field-like approximation, we study the quasi-stationary surface coverages, moment ratios and the lifetime of the QS state. We also derive an improved, consistent one-site mean-field theory for the ZGB model.

  6. Protruding interfacial OH groups and 'on-water' heterogeneous catalysis

    International Nuclear Information System (INIS)

    The key aspect of the remarkable organic catalysis that is observed to occur at the organic/water phase boundary, the so-called 'on-water' catalysis (Narayan et al 2005 Angew. Chem. 44 3275), was recently proposed to be the protruding OH groups of water molecules at the interface that interact with the transition state (TS) via hydrogen bonding and lower activation barriers (Jung and Marcus 2007 J. Am. Chem. Soc. 129 5492). In particular, the cycloaddition reaction of quadricyclane (Q) with dimethyl azodicarboxylate (DMAD) on-water was calculated to be more than 100 000 times more efficient in terms of rate constant than the neat reaction. In this paper, we review and consider a related reaction of Q with dimethyl acetylenedicarboxylate, where nitrogen, a good H-bond acceptor, in DMAD is replaced by carbon, a poor H-bond acceptor. A very low rate acceleration of acetylenedicarboxylate on-water relative to the neat reaction is obtained theoretically, as compared to DMAD on-water, due to the relatively low H-bonding ability of acetylenedicarboxylate with water at the TS relative to the reactants. We suggest that there may also be an 'intrinsic steric effect' or orientational advantage in the on-water catalysis in general, and both electronic and steric effects may be in operation for the smaller on-water catalysis for the cycloaddition reaction of quadricyclane and acetylenedicarboxylate. A preliminary quantum mechanical/molecular mechanical (QM/MM) simulation including 1264 water molecules for the on-water reaction of DMAD + Q also suggests that there are indeed approximately two-four more H-bonds between the TS and the dangling OH groups than between the reactants and the surface.

  7. Catalysis at the Homogeneous-Heterogeneous Chemistry Interface

    Institute of Scientific and Technical Information of China (English)

    Howard; Alper

    2007-01-01

    1 Results Significant progress has been made in recent years in developing efficient, atom economical catalytic reactions of potential applicability to the pharmaceutical, petrochemical, and commodity chemical business sectors. In some cases, homogeneous catalytic processes offer advantages, but in others the use of heterogenized homogeneous catalysis provides a competitive advantage concerning recyclability and catalyst recovery. This presentation will consider new approaches to cyclization reactions a...

  8. Observations of exoelectron emission associated with heterogeneous catalysis

    Science.gov (United States)

    Hoenig, S. A.; Utter, M. G.

    1977-01-01

    It is suggested that the exoelectron emission from the catalyst may be used to monitor the rate of oxidation of CO and CH4 over palladium catalysts. Indirect heating of the catalyst and atmospheric pressure have no effect upon this monitoring system. Although the mechanism relating catalysis to exoelectron emission is not clear, it is considered possible that electron emission is triggered by the adsorption-desorption cycle.

  9. Conversion of lignocellulose into renewable chemicals by heterogeneous catalysis

    OpenAIRE

    Kobayashi, Hirokazu; Ohta, Hidetoshi; Fukuoka, Atsushi

    2012-01-01

    Conversion of lignocellulose into renewable chemicals and fuels has received great attention for building up the sustainable societies. However, the utilisation of lignocellulose in the chemical industry has almost been limited for paper manufacturing because of the complicated chemical structure and persistent property of lignocellulose. Heterogeneous catalysis has the potential to selectively convert lignocellulosic biomasses into various useful chemicals, and this methodology has rapidly p...

  10. Membrane catalysis in the dehydrogenation and hydrogen production processes

    International Nuclear Information System (INIS)

    Data on the applications of membrane catalysis in the dehydrogenation of organic compounds and hydrogen production are analyzed and generalized. It is shown that the integration of membrane reactors into existing plants is necessary for production of hydrogen of high purity. The steam reforming and oxidative reforming of methane and steam reforming of light alcohols seem to be the most promising processes for hydrogen production in membrane reactors. The bibliography includes 165 references.

  11. Locale structure around heteroatoms in alumino- and borosilicates for catalysis

    OpenAIRE

    Nagendrachar Garaga, Mounesha

    2013-01-01

    While alumino- and borosilicate materials have paramount importance in catalysis, the molecular origin of their activity is not completely understood. This is mainly because the incorporation of heteroatoms into the silicate framework deteriorates the molecular order by generating local disorder that is particularly difficult to establish. Because of its local vision of ordered and disordered environments, solid-state nuclear magnetic resonance (NMR) can play a key role to solve this long-sta...

  12. Exploring the scope of organic syntheses with semiconductor photoredox catalysis

    OpenAIRE

    Manley, David

    2014-01-01

    Under dry, anaerobic conditions TiO₂ photoredox catalysis has been directed away from oxidative/degradative chemistry. Instead, carboxylic acid photoredox reactions resulted in carbon-carbon bond forming processes. High yields of radical homodimers were obtained from TiO₂ treatment of carboxylic acids alone. “Benzyl-type” radicals in particular performed very well in this system. Attempts at carrying out hetero-dimerisations were unsuccessful as it is thought that the differing rates of forma...

  13. A nature-inspired approach to reactor and catalysis engineering

    OpenAIRE

    Coppens, M-O

    2012-01-01

    Mechanisms used by biology to solve fundamental problems, such as those related to scalability, efficiency and robustness could guide the design of innovative solutions to similar challenges in chemical engineering. Complementing progress in bioinspired chemistry and materials science, we identify three methodologies as the backbone of nature-inspired reactor and catalysis engineering. First, biology often uses hierarchical networks to bridge scales and facilitate transport, leading to broadl...

  14. VLT Data Flow System Begins Operation

    Science.gov (United States)

    1999-06-01

    conceived as a complex digital facility to explore the Universe. In order for astronomers to be able to use this marvellous research tool in the most efficient manner possible, the VLT computer software and hardware systems must guarantee a smooth flow of scientific information through the entire system. This process starts when the astronomers submit well-considered proposals for observing time and it ends with large volumes of valuable astronomical data being distributed to the international astronomical community. For this, ESO has produced an integrated collection of software and hardware, known as the VLT Data Flow System (DFS) , that manages and facilitates the flow of scientific information within the VLT Observatory. Early information about this new concept was published as ESO Press Release 12/96 and extensive tests were first carried out at ESOs 3.5-m New Technology Telescope (NTT) at La Silla, cf. ESO Press Release 03/97 [1]. The VLT DFS is a complete (end-to-end) system that guarantees the highest data quality by optimization of the observing process and repeated checks that identify and eliminate any problems. It also introduces automatic calibration of the data, i.e. the removal of external effects introduced by the atmospheric conditions at the time of the observations, as well as the momentary state of the telescope and the instruments. From Proposals to Observations In order to obtain observing time with ESO telescopes, also with the VLT, astronomers must submit a detailed observing proposal to the ESO Observing Programmes Committee (OPC) . It meets twice a year and ranks the proposals according to scientific merit. More than 1000 proposals are submitted each year, mostly by astronomers from the ESO members states and Chile; the competition is fierce and only a fraction of the total demand for observing time can be fulfilled. During the submission of observing proposals, DFS software tools available over the World Wide Web enable the astronomers to simulate

  15. 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...

  16. Switching on elusive organometallic mechanisms with photoredox catalysis

    Science.gov (United States)

    Terrett, Jack A.; Cuthbertson, James D.; Shurtleff, Valerie W.; MacMillan, David W. C.

    2015-08-01

    Transition-metal-catalysed cross-coupling reactions have become one of the most used carbon-carbon and carbon-heteroatom bond-forming reactions in chemical synthesis. Recently, nickel catalysis has been shown to participate in a wide variety of C-C bond-forming reactions, most notably Negishi, Suzuki-Miyaura, Stille, Kumada and Hiyama couplings. Despite the tremendous advances in C-C fragment couplings, the ability to forge C-O bonds in a general fashion via nickel catalysis has been largely unsuccessful. The challenge for nickel-mediated alcohol couplings has been the mechanistic requirement for the critical C-O bond-forming step (formally known as the reductive elimination step) to occur via a Ni(III) alkoxide intermediate. Here we demonstrate that visible-light-excited photoredox catalysts can modulate the preferred oxidation states of nickel alkoxides in an operative catalytic cycle, thereby providing transient access to Ni(III) species that readily participate in reductive elimination. Using this synergistic merger of photoredox and nickel catalysis, we have developed a highly efficient and general carbon-oxygen coupling reaction using abundant alcohols and aryl bromides. More notably, we have developed a general strategy to `switch on' important yet elusive organometallic mechanisms via oxidation state modulations using only weak light and single-electron-transfer catalysts.

  17. Compartmentalized Droplets for Continuous Flow Liquid-Liquid Interface Catalysis.

    Science.gov (United States)

    Zhang, Ming; Wei, Lijuan; Chen, Huan; Du, Zhiping; Binks, Bernard P; Yang, Hengquan

    2016-08-17

    To address the limitations of batch organic-aqueous biphasic catalysis, we develop a conceptually novel method termed Flow Pickering Emulsion, or FPE, to process biphasic reactions in a continuous flow fashion. This method involves the compartmentalization of bulk water into micron-sized droplets based on a water-in-oil Pickering emulsion, which are packed into a column reactor. The compartmentalized water droplets can confine water-soluble catalysts, thus "immobilizing" the catalyst in the column reactor, while the interstices between the droplets allow the organic (oil) phase to flow. Key fundamental principles underpinning this method such as the oil phase flow behavior, the stability of compartmentalized droplets and the confinement capability of these droplets toward water-soluble catalysts are experimentally and theoretically investigated. As a proof of this concept, case studies including a sulfuric acid-catalyzed addition reaction, a heteropolyacid-catalyzed ring opening reaction and an enzyme-catalyzed chiral reaction demonstrate the generality and versatility of the FPE method. Impressively, in addition to the excellent durability, the developed FPE reactions exhibit up to 10-fold reaction efficiency enhancement in comparison to the existing batch reactions, indicating a unique flow interface catalysis effect. This study opens up a new avenue to allow conventional biphasic catalysis reactions to access more sustainable and efficient flow chemistry using an innovative liquid-liquid interface protocol. PMID:27429173

  18. Computer-based studies on enzyme catalysis

    OpenAIRE

    de Ridder, L.

    2000-01-01

    Theoretical simulations are becoming increasingly important for our understanding of how enzymes work. The aim of the research presented in this thesis is to contribute to this development by applying various computational methods to three enzymes of theβ-ketoadipate pathway, and to validate the models obtained by means of quantitative structure-activity relationships (QSAR). The models and the resulting QSARs provide valuable mechanistic information about the relevant (rate-limiting) steps i...

  19. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Patient Seminars History World Sjögren's Day Advocacy > Social Security Disability & Sjögren’s Board of Directors Medical & Scientific Advisory ... Wake Up, Koala! Provider/Researcher Research Grants > Grant Application > Current Recipients > Past Recipients Student Fellowships > Student Fellowship ...

  20. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Events > Walkabouts > Sip for Sjogren's > Patient Seminars History World Sjögren's Day Advocacy > Social Security Disability & Sjögren’s Board ... Books, CDs & More Wake Up, Koala! Provider/Researcher Research Grants > Grant Application > Current Recipients > Past Recipients Student ...

  1. Diversity: How to Begin the Discussion

    Directory of Open Access Journals (Sweden)

    Brenda Alston-Mills

    2012-12-01

    Full Text Available The perception of diversity and inclusion, as it relates to social justice, often evokes destructive responses, either spoken or unspoken. It is one of the ‘malicious problems’ found in the classroom, the workplace, and amongst other parts of our society. In challenging these problems with diversity and inclusion, conversations regarding the substantive aspects of oppression and inequitable distribution of power of one group over another must be initiated to educate or expand the thinking of our modern day society. Formulating solutions from these conversations, willing individuals must be able to name the issue, analyze its impact, and enact a positive change, while acknowledging the difficulties in creating conversations of an issue that is in dire need of revelation. This report provides a non-controversial presentation, beginning with reasons for resistance, followed by survival strategies, and ending with pro-active strategies to establish dialogue and to allow for personal stories. Further discussion will analyze aggressive behavior, examine critical core values for an individual and organization, discuss positive and effective methods for combating mistreatment, and empowerment strategies to respond positively to oppression. Strategies for engaging an organization are included, such as how to use these tools to co-create a vision for a welcoming environment in organizations, while acknowledging the uncomfortable atmosphere that surrounds the topic of cultural change. Accepting that this uncomfortable environment stems from fear itself, fear is a viable part of the process towards trust and resolution.

  2. Is cloud computing finally beginning to mature?

    Directory of Open Access Journals (Sweden)

    Dimitrios Zissis

    2012-10-01

    Full Text Available The buzz term that came into popularity in the beginning of 2006 to describe an innovative IT deployment architecture, originated from the cloud metaphor that was used to represent the Internet in various network diagrams as early as the 1990s. In a short period of time after the term appeared, cloud solutions were being rapidly marketed by many IT companies and various new buzz words came into vogue such as "cloud in a can", "cloud bursting", and we suddenly had “blue clouds”, “green clouds”, “white label cloud services” and many others. We witnessed what is now being labeled as "cloud washing", the attempts of many vendors to strap the cloud term onto their traditional products, which became the source of huge disambiguation, conflicts and misunderstandings. Today, the term “cloud computing” is everywhere. A quick search on Google for the term “cloud computing” will return 267 million search results. Cloud computing is being marketed as the complex-free efficient method of accessing huge amounts of computing and storage as a service. Behind the curtains though, cloud computing has often been called a huge leap of faith and concerns were fuelled when reports started to surface of random failures (e.g. power outages and shortcomings of cloud infrastructures. Small black clouds of uncertainty have appeared in the otherwise clear skies of cloud computing

  3. Galen and the beginnings of Western physiology.

    Science.gov (United States)

    West, John B

    2014-07-15

    Galen (129-c. 216 AD) was a key figure in the early development of Western physiology. His teachings incorporated much of the ancient Greek traditions including the work of Hippocrates and Aristotle. Galen himself was a well-educated Greco-Roman physician and physiologist who at one time was a physician to the gladiators in Pergamon. Later he moved to Rome, where he was associated with the Roman emperors Marcus Aurelius and Lucius Verus. The Galenical school was responsible for voluminous writings, many of which are still extant. One emphasis was on the humors of the body, which were believed to be important in disease. Another was the cardiopulmonary system, including the belief that part of the blood from the right ventricle could enter the left through the interventricular septum. An extraordinary feature of these teachings is that they dominated thinking for some 1,300 years and became accepted as dogma by both the State and Church. One of the first anatomists to challenge the Galenical teachings was Andreas Vesalius, who produced a magnificent atlas of human anatomy in 1543. At about the same time Michael Servetus described the pulmonary transit of blood, but he was burned at the stake for heresy. Finally, with William Harvey and others in the first part of the 17th century, the beginnings of modern physiology emerged with an emphasis on hypotheses and experimental data. Nevertheless, vestiges of Galen's teaching survived into the 19th century. PMID:24879053

  4. Catalysis in electrochemistry from fundamental aspects to strategies for fuel cell development

    CERN Document Server

    Santos, Elizabeth

    2011-01-01

    Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application o

  5. Hybrid Organic-Inorganic Materials Based on Polyoxometalates and Ionic Liquids and Their Application in Catalysis

    OpenAIRE

    Svetlana Ivanova

    2014-01-01

    An overview of the recent advances in the field of polyoxometalate, ionic liquid hybrids, is proposed with a special attention paid to their application in catalysis, more precisely biphasic and heterogeneous catalysis. Both components of the hybrids are separately outlined pointing to their useful properties and potential for catalysis, followed by the description of the hybrids preparation and synergy between components in a large range of organic transformations. And finally a vision on th...

  6. Chemistry and catalysis in supercritical media

    Energy Technology Data Exchange (ETDEWEB)

    Tumas, W.; Morgenstern, D.; Feng, S. [and others

    1997-07-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The aim of this research is to explore the potential of supercritical fluids as reaction media for stoichiometric and catalytic chemical transformations in an effort to develop new, environmentally-friendly methods for chemical synthesis or processing. This approach offers the possibility of opening up substantially different chemical pathways, increasing selectivity while enhancing reaction rates, facilitating downstream separations and mitigating the need for hazardous solvents. The authors describe investigations into a number of catalytic processes for which carbon dioxide represents a viable solvent replacement. In several cases they have observed significant enhancements in selectivity and/or reactivity relative to conventional organic solvents. They have investigated the following catalytic processes: (a) selective oxidation including dihydroxylation and epoxidation, (b) asymmetric hydrogenation and hydrogen transfer reduction, (c) Lewis acid catalyzed acylation and alkylation, and (c) coupling of amines with carbon dioxide to make isocyanates.

  7. Christianity and Science: Friends at the Beginning.

    Science.gov (United States)

    Thiering, Barbara E.

    2002-01-01

    Recent research suggests a closer relationship between early Christianity and science. The way science and religion interacted in that period can serve as a model for the present. (Contains 29 references.) (SK)

  8. Sjogren's Syndrome: A Place to Begin

    Medline Plus

    Full Text Available ... Social Security Disability & Sjögren’s Board of Directors Medical & Scientific Advisory Board Staff Staff Bios Annual Report Contact ... Student Fellowship Recipients Outstanding Abstract Award Researcher ... Clinical Practice Guidelines Healthcare Provider Information > Diagnosis ...

  9. CERN begins installation on largest collider

    CERN Multimedia

    2005-01-01

    Installation of the world's largest particle physics collider began Monday with the lowering of a massive, superconducting magnet into the tunnel housing the new research facility that will draw scientists from all over the world, a spokeswoman said

  10. How can we begin to measure recovery?

    OpenAIRE

    Kenny Paul J; Krantz Barbara; Dodge Karen

    2010-01-01

    Abstract Background There is a lack of consensus in the addiction treatment literature regarding the definition of substance abuse "recovery". Methods This study utilized a review of the literature together with a participatory research design to construct a conceptual model of recovery from the perspectives of addiction treatment professionals, those recovering from addictions, and researchers. Results A multidimensional, comprehensive hypothetical model consisting of seven conceptual domain...

  11. Catalysis questions in chemical processing of coal

    Energy Technology Data Exchange (ETDEWEB)

    Paal, Z.

    1980-01-01

    A brief review is given of the literature in the field of catalytic problems related to the chemical processing of coal. As is known, these processes have become especially significant due to the energy crisis. Existing problems can be divided into two groups: one group is connected with catalytic processing of liquid products of coal destructive hydrogenation (for example, by hydrogenation of coal at high pressures, or by extraction); the other groups is connected with catalytic reactions occurring during the destructive hydrogenation or gasification of coal. Extensive basic research is required in both fields, since certain basic properties of the systems examined are still unknown. The article also gives a brief review of certain new results obtained when studying Fisher-Tropsh reactions and MeOH synthesis.

  12. First Contact: Expectations of Beginning Astronomy Students

    Science.gov (United States)

    Lacey, T. L.; Slater, T. F.

    1999-05-01

    Three hundred seven undergraduate students enrolled in Introductory Astronomy were surveyed at the beginning of class to determine their expectations for course content. The course serves as a survey of astronomy for non-science majors and is a distribution course for general education core requirements. The course has no prerequisites, meets three times each week for 50 minutes, and represents three semester credit hours. The university catalog describes the course with the title "PHYSICS 101 - Mysteries of the Sky" and the official course description is: a survey of the struggle to understand the Universe and our place therein. The structure, growth, methods, and limitations of science will be illustrated using the development of astronomy as a vehicle. Present day views of the Universe are presented. Two questions were asked as open response items: What made you decide to take this course? and What do you expect to learn in this course? The reasons that students cited to take the course, in order of frequency, were: interested in astronomy, interesting or fun sounding course, required general education fulfillment, recommendation by peer. Secondary reasons cited were required for major or minor, general interest in science, and was available in the schedule. Tertiary reasons listed were recommendation by advisor or orientation leader, inflate grade point average, and heard good things about the teacher. The students' expectations about what they would learn in the course were numerous. The most common objects listed, in order of frequency, were: stars, constellations, planets, galaxies, black holes, solar system, comets, galaxies, asteroids, moon, and Sun. More interesting were the aspects not specifically related to astronomy. These were weather, atmosphere, UFOs and the unexplained, generally things in the sky. A mid-course survey suggests that students expected to learn more constellations and that the topics would be less in-depth.

  13. The effect of hot electrons and surface plasmons on heterogeneous catalysis

    Science.gov (United States)

    Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi; Park, Jeong Young

    2016-06-01

    Hot electrons and surface-plasmon-driven chemistry are amongst the most actively studied research subjects because they are deeply associated with energy dissipation and the conversion processes at the surface and interfaces, which are still open questions and key issues in the surface science community. In this topical review, we give an overview of the concept of hot electrons or surface-plasmon-mediated hot electrons generated under various structural schemes (i.e. metals, metal–semiconductor, and metal–insulator–metal) and their role affecting catalytic activity in chemical reactions. We highlight recent studies on the relation between hot electrons and catalytic activity on metallic surfaces. We discuss possible mechanisms for how hot electrons participate in chemical reactions. We also introduce controlled chemistry to describe specific pathways for selectivity control in catalysis on metal nanoparticles.

  14. The effect of hot electrons and surface plasmons on heterogeneous catalysis.

    Science.gov (United States)

    Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi; Park, Jeong Young

    2016-06-29

    Hot electrons and surface-plasmon-driven chemistry are amongst the most actively studied research subjects because they are deeply associated with energy dissipation and the conversion processes at the surface and interfaces, which are still open questions and key issues in the surface science community. In this topical review, we give an overview of the concept of hot electrons or surface-plasmon-mediated hot electrons generated under various structural schemes (i.e. metals, metal-semiconductor, and metal-insulator-metal) and their role affecting catalytic activity in chemical reactions. We highlight recent studies on the relation between hot electrons and catalytic activity on metallic surfaces. We discuss possible mechanisms for how hot electrons participate in chemical reactions. We also introduce controlled chemistry to describe specific pathways for selectivity control in catalysis on metal nanoparticles. PMID:27166263

  15. The international debt crisis: the end of the beginning, not yet the beginning of the end

    OpenAIRE

    N.M. HEALEY

    1994-01-01

    The work explores the changing nature of the international debt crisis, from a banking crisis to a development crisis. The author begins with an overview of the changing debt position of the developing world. The reasons why developing countries become indebted and the causes of the post-1982 crisis are then considered. Finally, events since 1982 are discussed, critically assessing the management of the crisis to date.

  16. 7 CFR 761.209 - Loan funds for beginning farmers.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 7 2010-01-01 2010-01-01 false Loan funds for beginning farmers. 761.209 Section 761... Funds to State Offices § 761.209 Loan funds for beginning farmers. Each fiscal year, the Agency reserves a portion of direct and guaranteed FO and OL loan funds for beginning farmers in accordance...

  17. Using Blackboard and Skype for Mentoring Beginning Teachers

    Science.gov (United States)

    Suk Hwang, Young; Vrongistinos, Konstantinos

    2012-01-01

    The purpose of this article is to examine the nature of the Blackboard and Skype-based electronic mentoring system for beginning teachers. The Quality Teachers for Quality Students project developed an electronic mentoring system between beginning teachers and experienced teachers to support beginning teachers' instructional and classroom…

  18. [Women and HIV/AIDS: stormy beginnings].

    Science.gov (United States)

    Henrion, Roger

    2012-11-01

    Following the transfusion of a young woman with two units of blood infected by human immunodeficiency virus (HIV) during a Cesarean section performed at the Obstetrics and Gynecology Unit of Port-Royal Hospital in Paris in 1984, the author realized the danger that this virus would represent for women and their children, at a time when the infection seemed to be confined to homosexuals, drug addicts, hemophiliacs and transfusion recipients. He was confronted with a whole series of issues, including the rejection of HIV-positive women; the need for special precautions in the labor room and operating theater; and the need for these patients to be managed in a single center staffed by skilled and willing healthcare professionals who could help them decide whether or not to continue the pregnancy. The main risks at this time were the onset of life-threatening opportunistic infections during pregnancy and HIV transmission to the child (estimated at 20% to 30%). Other thorny issues included the case of couples wishing to have children when either of the two members was infected, and the question of professional confidentiality when an immunocompromised HIV-seropositive husband stubbornly refused to inform his wife or to use condoms. It seemed important to bring these women together, especially those of African origin, within a self-help group where they could express themselves openly and discuss their difficulties. Screening for HIV antibodies in early pregnancy became necessary to permit preventive treatment of mother-child HIV transmission, and to inform pediatricians. There was also a need to estimate and monitor the seroprevalence of HIV among pregnant women, and this was done by conducting a "sentinel" survey that was subsequently taken over by INSERM and the European Centre for the Epidemiological Monitoring of AIDS. After listing many other issues that were hotly debated over the years, the author describes how, at the beginning of the epidemic, new proposals

  19. Beginning a Multidimensional Theory of Creativity

    Science.gov (United States)

    Chambers, Jack A.

    1969-01-01

    Advances 12 hypotheses to answer (1) What is creativity? (2) Why does creative behavior occur? (3) How does it occur? while including theoretical contributions by Freud, Jung, Adler, Rank, neo-Freudians, inter-personal theorists, trait theorists, association theorists and relevant research findings. (MB)

  20. In the beginning was the other

    DEFF Research Database (Denmark)

    Hyldgaard, Kirsten

    2009-01-01

    ineffective, and, conversely, any didactical method, no matter how "outmoded", can in practice turn out to be effective. In other words, both failure and success may mistakenly be ascribed to didactical methods rather than unconscious processes of transference. Psychoanalysis can provide educational research...

  1. 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

    Catalysis is one of the fundamental pillars of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances. The design and application of new catalysts and catalytic systems are simultaneously achieving the dual goals of environmental protection and economic benefit. Green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is an overarching approach that is applicable to all aspects of chemistry. From feedstocks to solvents, to synthesis and processing, green chemistry actively seeks ways to produce materials in a way that is more benign to human health and the environment. The current emphasis on green chemistry reflects a shift away from the historic 'command-and-control' approach to environmental problems that mandated waste treatment and control and clean up through regulation, and toward preventing pollution at its source. Rather than accepting waste generation and disposal as unavoidable, green chemistry seeks new technologies that are cleaner and economically competitive. Utilizing green chemistry for pollution prevention demonstrates the power and beauty of chemistry: through careful design, society can enjoy the products on which we depend while benefiting the environment. The economic benefits of green chemistry are central drivers in its advancement. Industry is adopting green chemistry methodologies because they improve the corporate bottom line. A wide array of operating costs are decreased through the use of green chemistry. When less waste is generated, environmental compliance costs go down. Treatment and disposal become unnecessary when waste is eliminated. Decreased solvent usage and fewer processing steps lessen the material and energy costs of manufacturing and increase material efficiency. The environmental, human health, and the economic advantages realized through green chemistry

  2. Radio catalysis application in degradation of complex organic samples

    International Nuclear Information System (INIS)

    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 60Co 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)

  3. 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.

  4. Evolutionarily conserved linkage between enzyme fold, flexibility, and catalysis.

    Directory of Open Access Journals (Sweden)

    Arvind Ramanathan

    2011-11-01

    Full Text Available Proteins are intrinsically flexible molecules. The role of internal motions in a protein's designated function is widely debated. The role of protein structure in enzyme catalysis is well established, and conservation of structural features provides vital clues to their role in function. Recently, it has been proposed that the protein function may involve multiple conformations: the observed deviations are not random thermodynamic fluctuations; rather, flexibility may be closely linked to protein function, including enzyme catalysis. We hypothesize that the argument of conservation of important structural features can also be extended to identification of protein flexibility in interconnection with enzyme function. Three classes of enzymes (prolyl-peptidyl isomerase, oxidoreductase, and nuclease that catalyze diverse chemical reactions have been examined using detailed computational modeling. For each class, the identification and characterization of the internal protein motions coupled to the chemical step in enzyme mechanisms in multiple species show identical enzyme conformational fluctuations. In addition to the active-site residues, motions of protein surface loop regions (>10 Å away are observed to be identical across species, and networks of conserved interactions/residues connect these highly flexible surface regions to the active-site residues that make direct contact with substrates. More interestingly, examination of reaction-coupled motions in non-homologous enzyme systems (with no structural or sequence similarity that catalyze the same biochemical reaction shows motions that induce remarkably similar changes in the enzyme-substrate interactions during catalysis. The results indicate that the reaction-coupled flexibility is a conserved aspect of the enzyme molecular architecture. Protein motions in distal areas of homologous and non-homologous enzyme systems mediate similar changes in the active-site enzyme-substrate interactions

  5. Electrified magnetic catalysis in 3D topological insulators

    CERN Document Server

    Gorbar, E V; Shovkovy, I A; Sukhachov, P O

    2016-01-01

    The gap equations for the surface quasiparticle propagators in a slab of three-dimensional topological insulator in external electric and magnetic fields perpendicular to the slab surfaces are analyzed and solved. A new type of magnetic catalysis is revealed with the dynamical generation of both Haldane and Dirac gaps. Its characteristic feature manifests itself in the crucial role that the electric field plays in dynamical symmetry breaking and the generation of a Dirac gap in the slab. It is argued that, for a sufficiently large external electric field, the ground state of the system is a phase with a homogeneous surface charge density.

  6. Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Maiti, A; Gee, R H; Maxwell, R; Saab, A

    2007-02-01

    Prompted by the need for a self-supported, chemically stable, and functionally flexible catalytic nanoparticle system, we explore a system involving Pd clusters coated with a monolayer of polyhedral oligomeric silsesquioxane (POSS) cages. With an initial theoretical focus on hydrogen catalysis and sequestration in the Pd-POSS system, we report Density Functional Theory (DFT) results on POSS binding energies to the Pd(110) surface, hydrogen storing ability of POSS, and possible pathways of hydrogen radicals from the catalyst surface to unsaturated bonds away from the surface.

  7. Inorganic Chemistry in Hydrogen Storage and Biomass Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Thorn, David [Los Alamos National Laboratory

    2012-06-13

    Making or breaking C-H, B-H, C-C bonds has been at the core of catalysis for many years. Making or breaking these bonds to store or recover energy presents us with fresh challenges, including how to catalyze these transformations in molecular systems that are 'tuned' to minimize energy loss and in molecular and material systems present in biomass. This talk will discuss some challenging transformations in chemical hydrogen storage, and some aspects of the inorganic chemistry we are studying in the development of catalysts for biomass utilization.

  8. Proton–hydride tautomerism in hydrogen evolution catalysis

    OpenAIRE

    Aguirre Quintana, Luis M.; Johnson, Samantha I.; Corona, Sydney L.; Villatoro, Walther; Goddard, William A.; Takase, Michael K.; VanderVelde, David G.; Winkler, Jay R.; Gray, Harry B.; Blakemore, James D.

    2016-01-01

    Efficient generation of hydrogen from renewable resources requires development of catalysts that avoid deep wells and high barriers. Information about the energy landscape for H_2 production can be obtained by chemical characterization of catalytic intermediates, but few have been observed to date. We have isolated and characterized a key intermediate in 2e^– + 2H^+ → H_2 catalysis. This intermediate, obtained by treatment of Cp*Rh(bpy) (Cp*, η^5-pentamethylcyclopentadienyl; bpy, κ^2-2,2′-bip...

  9. Computational Catalysis Using the Artificial Force Induced Reaction Method.

    Science.gov (United States)

    Sameera, W M C; Maeda, Satoshi; Morokuma, Keiji

    2016-04-19

    The artificial force induced reaction (AFIR) method in the global reaction route mapping (GRRM) strategy is an automatic approach to explore all important reaction paths of complex reactions. Most traditional methods in computational catalysis require guess reaction paths. On the other hand, the AFIR approach locates local minima (LMs) and transition states (TSs) of reaction paths without a guess, and therefore finds unanticipated as well as anticipated reaction paths. The AFIR method has been applied for multicomponent organic reactions, such as the aldol reaction, Passerini reaction, Biginelli reaction, and phase-transfer catalysis. In the presence of several reactants, many equilibrium structures are possible, leading to a number of reaction pathways. The AFIR method in the GRRM strategy determines all of the important equilibrium structures and subsequent reaction paths systematically. As the AFIR search is fully automatic, exhaustive trial-and-error and guess-and-check processes by the user can be eliminated. At the same time, the AFIR search is systematic, and therefore a more accurate and comprehensive description of the reaction mechanism can be determined. The AFIR method has been used for the study of full catalytic cycles and reaction steps in transition metal catalysis, such as cobalt-catalyzed hydroformylation and iron-catalyzed carbon-carbon bond formation reactions in aqueous media. Some AFIR applications have targeted the selectivity-determining step of transition-metal-catalyzed asymmetric reactions, including stereoselective water-tolerant lanthanide Lewis acid-catalyzed Mukaiyama aldol reactions. In terms of establishing the selectivity of a reaction, systematic sampling of the transition states is critical. In this direction, AFIR is very useful for performing a systematic and automatic determination of TSs. In the presence of a comprehensive description of the transition states, the selectivity of the reaction can be calculated more accurately

  10. Application of gold in the field of heterogeneous catalysis

    CERN Document Server

    Luo, Siwei

    2014-01-01

    Gold has been long thought as an inert metal which finds most of its use in jewelry and monetary exchange. However, catalysis by gold has rapidly become a hot topic in chemistry ever since Haruta and Hutchings found gold to be an extraordinary good heterogeneous catalyst in certain reactions. Here in this paper, several model reactions which made gold historically famous as a catalyst and a currently hot topic will be demonstrated, such as oxidation of CO, selective oxidation, and hydrodechlorination. Conclusions on the chemical nature of gold will be made as well as future perspectives of designing gold as a better catalyst.

  11. Lewis Acid Catalysis in the Oxidative Cycloaddition of Thiophenes

    OpenAIRE

    Li, Yuanqiang; Thiemann, Thies; Sawada, Tsuyoshi; Mataka, Shuntaro; Tashiro, Masashi

    1997-01-01

    Thiophenes 1 were treated with m-chloroperbenzoic acid (m-CPBA) under BF3·Et2O catalysis to afford thiophene S-monoxides. These could be reacted in situ as intermediary species with a number of dienophiles to provide arenes (with alkynes as dienophiles) or 7-thiabicyclo[2.2.1]hept-2-ene 7-oxides (with alkenes as dienophiles). It was also possible to isolate thiophene S-monoxides in solution and to cycloadd them in a second step. In either way it could be shown that the use of BF3·Et2O enhance...

  12. Metal-organic frameworks and their applications in catalysis

    International Nuclear Information System (INIS)

    Metal-organic frameworks (MOFs) form a new class of materials with well-defined yet tunable properties. These are crystalline, highly porous and exhibit strong metal-ligand interactions. Importantly, their physical and chemical properties, including pore size, pore structure, acidity, and magnetic and optical characteristics, can be tailored by choosing the appropriate ligands and metal precursors. Here we review the key aspects of synthesis and characterization of MOFs, focusing on lanthanide-based and vanadium-based materials. We also outline some of their applications in catalysis and materials science. (author)

  13. Application of microflow conditions to visible light photoredox catalysis.

    Science.gov (United States)

    Neumann, Matthias; Zeitler, Kirsten

    2012-06-01

    Applications of microflow conditions for visible light photoredox catalysis have successfully been developed. Operationally simple microreactor and FEP (fluorinated ethylene propylene copolymer) tube reactor systems enable significant improvement of several photoredox reactions using different photocatalysts such as [Ru(bpy)(3)](2+) and Eosin Y. Apart from rate acceleration, this approach facilitates previously challenging transformations of nonstabilized intermediates. Additionally, the productivity of the synergistic, catalytic enantioselective photoredox α-alkylation of aldehydes was demonstrated to be increased by 2 orders of magnitude. PMID:22587670

  14. Synthetic and mechanistic prospects of homogeneous gold catalysis

    OpenAIRE

    Pankajakshan, Sreekumar

    2009-01-01

    a) The first chapter of this thesis manifests the exploration of homogeneous gold-catalyzed conversions of furan containing aryl-ynamides and ynol ethers. Enynes boast to be the most explored substrate structures in the realm of homogeneous gold catalysis, whereas the reactivity of ene-ynamides and ene-ynol ethers are much less explored till date.34, 45 Hashmi and co-workers recently reported the homogeneous gold-catalyzed synthesis of phenols from furan containing ynamides/ynol ethers.45e Th...

  15. High-Valent Organometallic Copper and Palladium in Catalysis

    Science.gov (United States)

    Hickman, Amanda J.; Sanford, Melanie S.

    2015-01-01

    Preface Copper and palladium catalysts are critically important for numerous commercial chemical processes. Improvements in the activity, selectivity, and scope of these catalysts have the potential to dramatically reduce the environmental impact and increase the sustainability of chemical reactions. One rapidly emerging strategy to achieve these goals is to exploit “high-valent” copper and palladium intermediates in catalysis. This review describes exciting recent advances involving both the fundamental chemistry and the applications of these high-valent metal complexes in numerous synthetically useful catalytic transformations. PMID:22498623

  16. How can we begin to measure recovery?

    Directory of Open Access Journals (Sweden)

    Kenny Paul J

    2010-12-01

    Full Text Available Abstract Background There is a lack of consensus in the addiction treatment literature regarding the definition of substance abuse "recovery". Methods This study utilized a review of the literature together with a participatory research design to construct a conceptual model of recovery from the perspectives of addiction treatment professionals, those recovering from addictions, and researchers. Results A multidimensional, comprehensive hypothetical model consisting of seven conceptual domains (physical, biomarker, psychological, psychiatric, chemical dependency, family/social, and spiritual is presented. Each domain is operationally defined by identifying reliable and valid instruments that may be used to measure the domain. It is proposed that the conceptual model be tested using confirmatory factor analysis. Conclusions If empirically supported, this conceptual model would validate the hypothesized multidimensional nature of recovery and provide a potential means for assessing recovery in future treatment outcome studies.

  17. Functionalized carbon nanostructures for hydrogen catalysis

    Science.gov (United States)

    Hu, Lung-Hao

    Sodium borohydride, NaBH4, is widely used as a source of pure hydrogen. Hydrogen is of interest because it is a source of clean energy. It can be converted directly into electrical energy by means of fuel cells. One of the objectives of this thesis was to develop a new catalytic process to (i) enhance the rate of hydrogen generation, and (ii) to achieve hydrogen generation equal to 100% of the theoretically expected value. The catalyst investigated in this research is constructed by starting from single wall carbon nanotubes (SWNT). This material has a very high specific surface area and good conductivity. The SWNT were formed into a paper by a special filtration process. Polysilazane, a polymeric precursor (Ceraset(TM)-SN from KiON Corp., Wiesbaden, Germany) was diluted by acetone and then layered onto SWNT paper. The Ceraset coated SWNT was then pyrolyzed at 1100°C for three hours to form a silicon carbonitride (SiCN), polymer derived ceramic (PDC), layer on the surface of SWNT filtered paper. This functionalized SiCN carbon nanotube paper (SiCN/CNT) was used as the substrate for catalyst dispersions. The catalyst consisted of transition metals, Pt/Pd/Ru. Suspension solutions of Pt, Pd and Ru were impregnated onto the SiCN/CNT paper with the expectation of creating a monolayer of these transition metals on surface of the SiCN/CNT substrate. It is likely that an interaction could occur between the transition metals and the silicon atoms present in the SiCN layer on the surface of the carbon nanotubes. It is known that transition metals and silicon react to form silicides, suggesting the formation of a strong Si-transition metal bond. Therefore, it is possible that this bond could provide good wetting of metal atoms on SiCN functionalized carbon nanotube substrate. In the limit a monolayer of the transition metals may be achieved, which would correspond to a near zero dihedral angle between the substrate and the cluster of transition metals. In such a scenario a

  18. Inverse Magnetic Catalysis in hot quark matter within (P)NJL models

    CERN Document Server

    Ferreira, M; Providência, C; Lourenço, O; Frederico, T

    2015-01-01

    Apart from Magnetic Catalysis at low temperatures, recent LQCD studies have shown the opposite effect at temperatures near the transition region: instead of enhancing, the magnetic field suppresses the quark condensates (Inverse Magnetic Catalysis). In this paper, two approaches are discussed within NJL-type models with Polyakov Loop that reproduce both effects.

  19. New tools for the Baeyer-Villiger oxidation of ketones: Phase transfer catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Ricci, Marco; Battistel, Ezio [EniChem SpA, Centro Ricerche Novara, Novara (Italy). Ist. Guido Donegani

    1997-09-01

    The Baeyer-Villiger reaction, allowing the oxidation of ketones to esters, is an important reaction which has found a number of applications in organic synthesis. Some recent, improved procedures, involving either phase-transfer or enzymatic catalysis, will be discussed. This first part will deal with phase-transfer catalysis.

  20. Conduction and Reactivity in Heterogeneous-Molecular Catalysis: New Insights in Water Oxidation Catalysis by Phosphate Cobalt Oxide Films.

    Science.gov (United States)

    Costentin, Cyrille; Porter, Thomas R; Savéant, Jean-Michel

    2016-05-01

    Cyclic voltammetry of phosphate cobalt oxide (CoPi) films catalyzing O2-evolution from water oxidation as a function of scan rate, phosphate concentration and film thickness allowed for new insights into the coupling between charge transport and catalysis. At pH = 7 and low buffer concentrations, the film is insulating below 0.8 (V vs SHE) but becomes conductive above 0.9 (V vs SHE). Between 1.0 to 1.3 (V vs SHE), the mesoporous structure of the film gives rise to a large thickness-dependent capacitance. At higher buffer concentrations, two reversible proton-coupled redox couples appear over the capacitive response with 0.94 and 1.19 (V vs SHE) pH = 7 standard potentials. The latter is, at most, very weakly catalytic and not responsible for the large catalytic current observed at higher potentials. CV-response analysis showed that the amount of redox-active cobalt-species in the film is small, less than 10% of total. The catalytic process involves a further proton-coupled-electron-transfer and is so fast that it is controlled by diffusion of phosphate, the catalyst cofactor. CV-analysis with newly derived relationships led to a combination of the catalyst standard potential with the catalytic rate constant and a lower-limit estimation of these parameters. The large currents resulting from the fast catalytic reaction result in significant potential losses related to charge transport through the film. CoPi films appear to combine molecular catalysis with semiconductor-type charge transport. This mode of heterogeneous molecular catalysis is likely to occur in many other catalytic films. PMID:26981886

  1. When did globalization begin in South Africa?

    OpenAIRE

    Boshoff, Willem H.; Johan Fourie

    2015-01-01

    Economic globalization is defined as the co-movement of prices across a large number of countries (O’Rourke and Williamson, 2002). This research note identifies the period when South African prices began to move in unison with those of the country’s lead trading partner or, in other words, when South Africa globalized. We find that South African wheat prices started reflecting UK trends soon after the discovery of diamonds and gold in the interior of the country. The mineral revolution, it se...

  2. Role of noble metal nanoparticles in DNA base damage and catalysis: a radiation chemical investigation

    International Nuclear Information System (INIS)

    In the emerging field of nanoscience and nanotechnology, tremendous focus has been made by researcher to explore the applications of nanomaterials for human welfare by converting the findings into technology. Some of the examples have been the use of nanoparticles in the field of opto-electronic, fuel cells, medicine and catalysis. These wide applications and significance lies in the fact that nanoparticles possess unique physical and chemical properties very different from their bulk precursors. Numerous methods for the synthesis of noble nanoparticles with tunable shape and size have been reported in literature. The goal of our group is to use different methods of synthesis of noble metal nanoparticles (Au, Ag, Pt and Pd) and test their protective/damaging role towards DNA base damage induced by ionizing radiation (Au and Ag) and to test the catalytic activity of nanoparticles (Pt and Pd) in certain known organic synthesis/electron transfer reactions. Using radiation chemical techniques such as pulse radiolysis and steady state radiolysis complemented by the product analysis using HPLC/LC-MS, a detailed mechanism for the formation of transient species, kinetics leading to the formation of stable end products is studied in the DNA base damage induced by ionizing radiation in presence and absence of Au and Ag nanoparticles. Unraveling the complex interaction between catalysts and reactants under operando conditions is a key step towards gaining fundamental insight in catalysis. The catalytic activity of Pt and Pd nanoparticles in electron transfer and Suzuki coupling reactions has been determined. Investigations are currently underway to gain insight into the interaction between catalysts and reactants using time resolved spectroscopic measurements. These studies will be detailed during the presentation. (author)

  3. Reports from Ministry of Finance: China Nay Begin to Collect Carbon Tax in the Next Five Years

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The investigation team of Research Institute for Fiscal Science, Ministry of Finance, just published a report on the "Study on the Issue of Beginning to Levy Carbon Tax in China." The report said that the beginning of the collection of carbon tax could be considered in the next five years.

  4. Selecting Software with Caution: An Empirical Evaluation of Popular Beginning Reading Software for Children with Early Literacy Difficulties

    Science.gov (United States)

    Santoro, Lana Edwards; Bishop, M. J.

    2010-01-01

    It seems appropriate, if not necessary, to use empirically supported criteria to evaluate reading software applications. This study's purpose was to develop a research-based evaluation framework and review selected beginning reading software that might be used with struggling beginning readers. Thirty-one products were reviewed according to…

  5. Neuroimaging: beginning to appreciate its complexities.

    Science.gov (United States)

    Parens, Erik; Johnston, Josephine

    2014-01-01

    For over a century, scientists have sought to see through the protective shield of the human skull and into the living brain. Today, an array of technologies allows researchers and clinicians to create astonishingly detailed images of our brain's structure as well as colorful depictions of the electrical and physiological changes that occur within it when we see, hear, think and feel. These technologies-and the images they generate-are an increasingly important tool in medicine and science. Given the role that neuroimaging technologies now play in biomedical research, both neuroscientists and nonexperts should aim to be as clear as possible about how neuroimages are made and what they can-and cannot-tell us. Add to this that neuroimages have begun to be used in courtrooms at both the determination of guilt and sentencing stages, that they are being employed by marketers to refine advertisements and develop new products, that they are being sold to consumers for the diagnosis of mental disorders and for the detection of lies, and that they are being employed in arguments about the nature (or absence) of powerful concepts like free will and personhood, and the need for citizens to have a basic understanding of how this technology works and what it can and cannot tell us becomes even more pressing. PMID:24634082

  6. Plasma–catalysis: the known knowns, the known unknowns and the unknown unknowns

    Science.gov (United States)

    Whitehead, J. Christopher

    2016-06-01

    This review describes the history and development of plasma-assisted catalysis focussing mainly on the use of atmospheric pressure, non-thermal plasma. It identifies the various interactions between the plasma and the catalyst that can modify and activate the catalytic surface and also describes how the catalyst affects the properties of the discharge. Techniques for in situ diagnostics of species adsorbed onto the surface and present in the gas-phase over a range of timescales are described. The effect of temperature on plasma–catalysis can assist in determining differences between thermal catalysis and plasma-activated catalysis and focuses on the meaning of temperature in a system involving non-equilibrium plasma. It can also help to develop an understanding of the gas-phase and surface mechanism of the plasma–catalysis at a molecular level. Our current state of knowledge and ignorance is highlighted and future directions suggested.

  7. Computer-Assisted Synthetic Planning: The End of the Beginning.

    Science.gov (United States)

    Szymkuć, Sara; Gajewska, Ewa P; Klucznik, Tomasz; Molga, Karol; Dittwald, Piotr; Startek, Michał; Bajczyk, Michał; Grzybowski, Bartosz A

    2016-05-10

    Exactly half a century has passed since the launch of the first documented research project (1965 Dendral) on computer-assisted organic synthesis. Many more programs were created in the 1970s and 1980s but the enthusiasm of these pioneering days had largely dissipated by the 2000s, and the challenge of teaching the computer how to plan organic syntheses earned itself the reputation of a "mission impossible". This is quite curious given that, in the meantime, computers have "learned" many other skills that had been considered exclusive domains of human intellect and creativity-for example, machines can nowadays play chess better than human world champions and they can compose classical music pleasant to the human ear. Although there have been no similar feats in organic synthesis, this Review argues that to concede defeat would be premature. Indeed, bringing together the combination of modern computational power and algorithms from graph/network theory, chemical rules (with full stereo- and regiochemistry) coded in appropriate formats, and the elements of quantum mechanics, the machine can finally be "taught" how to plan syntheses of non-trivial organic molecules in a matter of seconds to minutes. The Review begins with an overview of some basic theoretical concepts essential for the big-data analysis of chemical syntheses. It progresses to the problem of optimizing pathways involving known reactions. It culminates with discussion of algorithms that allow for a completely de novo and fully automated design of syntheses leading to relatively complex targets, including those that have not been made before. Of course, there are still things to be improved, but computers are finally becoming relevant and helpful to the practice of organic-synthetic planning. Paraphrasing Churchill's famous words after the Allies' first major victory over the Axis forces in Africa, it is not the end, it is not even the beginning of the end, but it is the end of the beginning for the

  8. Alkaline earths as main group reagents in molecular catalysis.

    Science.gov (United States)

    Hill, Michael S; Liptrot, David J; Weetman, Catherine

    2016-02-21

    The past decade has witnessed some remarkable advances in our appreciation of the structural and reaction chemistry of the heavier alkaline earth (Ae = Mg, Ca, Sr, Ba) elements. Derived from complexes of these metals in their immutable +2 oxidation state, a broad and widely applicable catalytic chemistry has also emerged, driven by considerations of cost and inherent low toxicity. The considerable adjustments incurred to ionic radius and resultant cation charge density also provide reactivity with significant mechanistic and kinetic variability as group 2 is descended. In an attempt to place these advances in the broader context of contemporary main group element chemistry, this review focusses on the developing state of the art in both multiple bond heterofunctionalisation and cross coupling catalysis. We review specific advances in alkene and alkyne hydroamination and hydrophosphination catalysis and related extensions of this reactivity that allow the synthesis of a wide variety of acyclic and heterocyclic small molecules. The use of heavier alkaline earth hydride derivatives as pre-catalysts and intermediates in multiple bond hydrogenation, hydrosilylation and hydroboration is also described along with the emergence of these and related reagents in a variety of dehydrocoupling processes that allow that facile catalytic construction of Si-C, Si-N and B-N bonds. PMID:26797470

  9. Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions? A Fruitful Interplay Anyway. Part 1. Radical Catalysis by Group 4 to Group 7 Elements

    Czech Academy of Sciences Publication Activity Database

    Jahn, Ullrich

    Heidelberg : Springer, 2012 - (Heinrich, M.; Gansäuer, A.), s. 121-189 ISBN 978-3-642-28122-8. - (Topic in Current Chemistry. 320) R&D Projects: GA ČR GA203/09/1936 Institutional research plan: CEZ:AV0Z40550506 Keywords : catalysis * cross-coupling * cyclization * electron transfer * radicals * transition metal s Subject RIV: CC - Organic Chemistry

  10. Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions? - A Fruitful Interplay Anyway. Part 2. Radical Catalysis by Group 8 to Group 9 Elements

    Czech Academy of Sciences Publication Activity Database

    Jahn, Ullrich

    Heidelberg : Springer, 2012 - (Heinrich, M.; Gansäuer, A.), s. 191-322 ISBN 978-3-642-28122-8. - (Topic in Current Chemistry. 320) R&D Projects: GA ČR GA203/09/1936 Institutional research plan: CEZ:AV0Z40550506 Keywords : catalysis * cross-coupling * cyclization * electron transfer * radicals * transition metals * addition Subject RIV: CC - Organic Chemistry

  11. Microwave catalysis for the production of fine chemicals and pharmaceuticals

    International Nuclear Information System (INIS)

    Full text: There is an ever-increasing adoption of microwave heating for the stimulation of chemical reactions. In many cases microwaves provide a convenient method of rapidly superheating reaction mixtures in pressure vessels to provide reaction rates greater than those attainable under reflux conditions. However, more interestingly the chemistry observed under conditions of microwave irradiation may differ from conventionally heated reactions. The increased rate of adoption of microwaves in chemical synthesis is being aided by the development of more versatile, and sophisticated microwave equipment. Traditionally, chemists have performed microwave synthetic chemistry in equipment that was originally designed for the acid digestion of samples for elemental analysis. The new range of equipment permits automation and in some cases the use of 96 well-plates, which aid the rapid production of substances for intensive screening programmes used by the pharma/agrochemicals industries. Catalysis, as it is applied to the industrial production of materials, is both broad and complex. It has significant implications on process costs and product properties. It serves numerous and diverse industries including petroleum, chemical, polymers, fine chemicals, pharma/agrochemicals and environmental. Catalysis is responsible for the efficient, low cost manufacture of products as diverse to each other as gasoline is to aspirin, and, products manufactured using catalysts exceeds $3 trillion annually. Microwaves have been used to great effect for the stimulation of heterogeneously catalysed reactions. Much of the early work concentrated on studies involving the production of bulk chemicals. These reactions included the oxidative coupling of methane; steam reforming of methane and the reforming of hydrocarbons. The results from these studies were universal in their conclusion that microwave stimulation resulted in rates of reaction significantly greater than those observed using

  12. Building a Professional Support Program for the Beginning Teacher

    OpenAIRE

    Stallings, Martha Ann

    1998-01-01

    This qualitative study described the development and implementation of a professional support program for beginning teachers in a school division for the 1997-98 school year. The community members including mentor teachers, principals, and central office staff, supported specific needs in a structured program to assist beginning teachers to learn how to teach. The study involved 25 beginning teachers with no years of experience who were paired with mentor teac...

  13. Undisciplined beginnings, academic success, and discursive psychology.

    Science.gov (United States)

    Billig, Michael

    2012-09-01

    This paper reflects on the conditions under which Discourse and social psychology, Common knowledge, and the author's Arguing and thinking were written. These books, which were independently conceived, were not specifically written as contributions to 'discursive psychology', for discursive psychology did not exist at that time. Their authors were rejecting conventional approaches to doing psychological research. The paper discusses what it takes for a new academic movement, such as discursive psychology, to be successfully established in the current climate of 'academic capitalism'. Two requirements are particularly mentioned: the necessity for a label and the necessity for adherents to be recruited. Of the three books, only Discourse and social psychology was outwardly recruiting its readers to a new way of doing social psychology. Arguing and thinking, with its celebration of ancient rhetoric, was much more ambiguous in its aims. It was turning away from present usefulness towards the past. By claiming to be 'an antiquarian psychologist' the author was rejecting disciplinary thinking. The paper also considers the intellectual costs of establishing a new specialism or sub-discipline. The 'first generation' may have freedom, but success can bring about a narrowing of perspectives and the development of orthodoxies for subsequent academic generations. This applies as much to the development of experimental social psychology as to discursive psychology. These processes are particular enhanced in the present socio-economic situation of contemporary universities, which make it more difficult for young academics to become, in the words of William James, 'undisciplinables'. PMID:22283746

  14. 用于TS-1催化苯酚羟基化的一体式催化/膜过滤系统的模型研究%Model Study on a Submerged Catalysis/Membrane Filtration System for Phenol Hydroxylation Catalyzed by TS-l

    Institute of Scientific and Technical Information of China (English)

    陈日志; 姜红; 金万勤; 徐南平

    2009-01-01

    This research is focused on the development of a simple design model of the submerged catalysis/ membrane filtration (catalysis/MF) system for phenol hydroxylation over TS-l based on the material balance of the phenol under steady state and the reported kinetic studies. Based on the developed model, the theoretical phenol conversions at steady state could be calculated using the kinetic parameters obtained from the previous batch ex-periments. The theoretical conversions are in good agreement with the experimental data obtained in the submerged catalysis/MF system within relative error of±5%. The model can be used to determine the optimal experimental conditions to carry out the phenol hydroxylation over TS-I in the submerged catalysis/MF system.

  15. Access to credit: beginning a new phase.

    Science.gov (United States)

    1995-01-01

    identify program strengths and weaknesses. Future plans for financial institutions and lending practices would be based on research findings. PMID:12346925

  16. Solar Photovoltaics Technology: The Revolution Begins . . .

    Science.gov (United States)

    Kazmerski, Lawrence

    2009-11-01

    The prospects of current and coming solar-photovoltaic (PV) technologies are envisioned, arguing this solar-electricity source is at a tipping point in the complex worldwide energy outlook. The emphasis of this presentation is on R&D advances (cell, materials, and module options), with indications of the limitations and strengths of crystalline (Si and GaAs) and thin-film (a-Si:H, Si, Cu(In,Ga)(Se,S)2, CdTe). The contributions and technological pathways for now and near-term technologies (silicon, III-Vs, and thin films) and status and forecasts for next- generation PV (organics, nanotechnologies, non-conventional junction approaches) are evaluated. Recent advances in concentrators with efficiencies headed toward 50%, new directions for thin films (20% and beyond), and materials/device technology issues are discussed in terms of technology progress. Insights into technical and other investments needed to tip photovoltaics to its next level of contribution as a significant clean-energy partner in the world energy portfolio. The need for R&D accelerating the now and imminent (evolutionary) technologies balanced with work in mid-term (disruptive) approaches is highlighted. Moreover, technology progress and ownership for next generation solar PV mandates a balanced investment in research on longer-term (the revolution needs revolutionary approaches to sustain itself) technologies (quantum dots, multi-multijunctions, intermediate-band concepts, nanotubes, bio-inspired, thermophotonics, solar hydrogen. . . ) having high-risk, but extremely high performance and cost returns for our next generations of energy consumers. Issues relating to manufacturing are explored-especially with the requirements for the next-generation technologies. This presentation provides insights into how this technology has developed-and where the R&D investments should be made and we can expect to be by this mid-21st century.

  17. Integrating Environmental Education With Beginning Reading and Phonics Instruction

    Science.gov (United States)

    Bolsem, Anne M.

    The practice of integrating methods of instruction shows signs of promise as teachers seek new ways to raise student achievement. Although researchers have focused on the efficacy of environment-based education, little research has been done to investigate a framework for integration. The research question that guided this case study was designed to explore the instructional practices teachers employ to integrate environmental education with beginning reading and phonics instruction. The conceptual framework is based on the seminal idea of using the environment as an integrating context, which postulates that the natural world becomes the overarching theme for teaching and learning. Data were obtained through interviews and lesson observations using a purposeful sample of 4 kindergarten and first grade teacher participants. A focus group interview also included the on-site naturalist. Inductive data analysis was used to discover categories and themes. Findings indicated that teachers integrate instruction primarily in the areas of vocabulary and writing after purposeful planning, collaboration, and a deep understanding of broader student goals. Findings also specified that teachers' integration strategies represent a combination of who the teachers are, what they believe, and what action they take in the classroom. Site-specific recommendations for action include ongoing professional development for teachers and support staff, time for collaboration, and review of teacher personal beliefs. Implications for social change include reflection and improvement of practice by teachers at the study site, as well as continued evaluation and discussion about teaching practices and teacher roles leading to more cohesive, enriching integrated instruction rooted in authentic, place-based experiences.

  18. Teach Like a Novice: Lessons from Beginning Teachers

    Science.gov (United States)

    Eckert, Jonathan

    2014-01-01

    Classroom management is the greatest challenge for beginning teachers and continues to develop over their careers. Much can be learned from beginning teachers through reflection and the perspective that experience brings. Seven strategies can help improve classroom management: Maintain a growth mindset; try new ideas, reflect, then accept, reject,…

  19. Beginning Teacher Induction: What the Data Tell Us

    Science.gov (United States)

    Ingersoll, Richard M.

    2012-01-01

    Induction support programs for beginning teachers is an education reform whose time has come. The national data indicate that over the past couple of decades the number of beginning teachers has ballooned in the U.S. Simultaneously, there has been a large increase in the number of states, districts, and schools offering induction programs.…

  20. Evolution of a Teaching Approach for Beginning Algebra

    Science.gov (United States)

    Banerjee, Rakhi; Subramaniam, K.

    2012-01-01

    The article reports aspects of the evolution of a teaching approach over repeated trials for beginning symbolic algebra. The teaching approach emphasized the structural similarity between arithmetic and algebraic expressions and aimed at supporting students in making a transition from arithmetic to beginning algebra. The study was conducted with…

  1. Bidrag til "Life begins at 100 - Secrets of the supercentenarians"

    DEFF Research Database (Denmark)

    von Bornemann Hjelmborg, Jacob

    2009-01-01

    Bidrag til: "Life begins at 100 - Secrets of the supercentenarians". Uddrag fra Human Genetics, vol. 119 p 1432. Udgivelsesdato: 5 september......Bidrag til: "Life begins at 100 - Secrets of the supercentenarians". Uddrag fra Human Genetics, vol. 119 p 1432. Udgivelsesdato: 5 september...

  2. Understanding the Impacts of Induction Programs on Beginning Teacher Turnover

    Science.gov (United States)

    Kang, Seok

    2010-01-01

    This study examines impacts of mentoring and induction activities on beginning teacher turnover using the School and Staffing Survey (SASS) of 1999-2000 and the Teacher Follow-up Survey (TFS) of 2000-2001. In order to improve understanding of the influence of induction programs on beginning teacher turnover, three models are developed to achieve…

  3. Sense of Efficacy among Beginning Teachers in Sarawak

    Science.gov (United States)

    Murshidi, Rahmah; Konting, Mohd Majid; Elias, Habibah; Fooi, Foo Say

    2006-01-01

    This study examined the level of teachers' sense of efficacy among beginning teachers in Sarawak, Malaysia. It also sought to investigate whether there is any difference in beginning teachers' sense of efficacy in relation to gender, race and types of teacher preparation program. The study was conducted by using the teacher sense of efficacy…

  4. Principal Leadership and Professional Learning Communities: What Beginning Teachers Value

    Science.gov (United States)

    Wynn, Susan R.; Brown, Kathleen M.

    2008-01-01

    Beginning teachers in the United States continue to exit the classroom in alarming numbers, despite numerous recruitment and retention strategies. High turnover rates negatively affect instruction and, ultimately, student achievement. The purpose of this empirical inquiry of beginning-teacher retention issues is to better understand what new…

  5. Conceptions of Competency: A Phenomenographic Investigation of Beginning Teachers in Malaysia

    Science.gov (United States)

    Goh, Pauline Swee Choo

    2013-01-01

    I use phenomenography, which is an interpretive research approach, to seek and to discover what beginning teachers in Malaysia conceive and understand as competence in relation to what they do everyday as teachers. Phenomenographic approach is used because of its potential to capture variation of understanding, or way of constituting, the…

  6. Beginning Mathematics Teachers' Beliefs of Subject Matter and Instructional Actions Documented over Time

    Science.gov (United States)

    Marbach-Ad, Gili; McGinnis, J. Randy

    2009-01-01

    In this study we report the results of survey research that collected responses of an identical sample (31 beginning mathematics and science teachers, elementary and middle school level) that graduated from a reform-based mathematics and science teacher preparation program, the Maryland Collaborative for Teacher Preparation (MCTP). Our aim was to…

  7. An Investigation of Anglicized Spanish as a Communication Strategy in the Beginning Spanish Classroom

    Science.gov (United States)

    Kobeck, Ashley Brianne

    2013-01-01

    Considering the recent increase in Spanish use in the United States, particularly as reflected in the media, beginning Spanish students are entering their classrooms with knowledge of phrases such as "hasta la vista" and "numero uno," regardless of their amount of previous formal Spanish study. The present research focuses on…

  8. Characteristics of Teacher Induction Programs and Turnover Rates of Beginning Teachers

    Science.gov (United States)

    Kang, Seok; Berliner, David C.

    2012-01-01

    The federal School and Staffing Survey (SASS) and Teacher Follow-up Survey (TFS) were used to examine the impacts of induction activities on beginning teacher turnover. This study excluded those teachers who moved or left schools for unavoidable and involuntary reasons, a confounding factor in previous research. This analysis revealed that three…

  9. Effective Selection and Matching Criteria for Mentors of Beginning Building Principals

    Science.gov (United States)

    Graff, Sarah; Pettengill, Bryan

    2010-01-01

    The purpose of this project was to establish criteria necessary to evaluate a mentoring policy for beginning principals. This study found that most mentor programs for first year school leaders lack expectations for selection and assignment of mentor principals. This process began with a multi-faceted approach to researching best practices.…

  10. Cohesion Features in ESL Reading: Comparing Beginning, Intermediate and Advanced Textbooks

    Science.gov (United States)

    Plakans, Lia; Bilki, Zeynep

    2016-01-01

    This study of English as a second language (ESL) reading textbooks investigates cohesion in reading passages from 27 textbooks. The guiding research questions were whether and how cohesion differs across textbooks written for beginning, intermediate, and advanced second language readers. Using a computational tool called Coh-Metrix, textual…

  11. Is a renaissance of coal imminent?--challenges for catalysis.

    Science.gov (United States)

    Traa, Yvonne

    2010-04-01

    In the introduction, the reserves and resources of coal and other fossil fuels are discussed, also with regard to the regional distribution and consumption. Then, coalification and the classification of coal are described. The main part of the article is devoted to the most important processes using coal where challenges for catalysis still exist, with a focus on recent literature. First, technologies based on the production of synthesis gas, i.e., Fischer-Tropsch synthesis as well as MTO/MTP (Methanol To Olefins/Methanol To Propylene), are discussed. Secondly, direct coal liquefaction is treated. The last part of the article is devoted to "clean" coal and gives an outlook on the future of coal. PMID:20234900

  12. Degradation of Residual Formaldehyde in Fabric by Photo-catalysis

    Institute of Scientific and Technical Information of China (English)

    YAO Yadong; GUO Xiangli; KANG Yunqing; LI Xieji; CHEN Aizheng; YANG Weizhong; YIN Guangfu

    2008-01-01

    The residual formaldehyde (HCHO) in fabric was degraded using photo-catalysis assisted by the compound catalyst of nano-TiO2 and nano-ZnO. The effects of several factors on the degradation,such as the composing of catalyst, irradiation time, pH value and the H2CHO concentration of the immersed solution were investigated. Results showed that H2CHO of the immersed solution had degraded 93% after 5 h irradiation, and the degradation ratio of formaldehyde could be improved and the aging of the fabric can be avoided with the addition of ZnO nanoparticles and pH value of the immersed-fibric solution. The fabric with residual formaldehyde about 1 800 μg/g can be efficiently treated to satisfy the China National Standard(GB/2912.1-1998) with the photo-catalytic degradation.

  13. Molecular surface science of heterogeneous catalysis. History and perspective

    International Nuclear Information System (INIS)

    A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH3 synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures

  14. π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis.

    Science.gov (United States)

    Bistoni, Giovanni; Belanzoni, Paola; Belpassi, Leonardo; Tarantelli, Francesco

    2016-07-14

    The activation of alkynes toward nucleophilic attack upon coordination to gold-based catalysts (neutral and positively charged gold clusters and gold complexes commonly used in homogeneous catalysis) is investigated to elucidate the role of the σ donation and π back-donation components of the Au-C bond (where we consider ethyne as prototype substrate). Charge displacement (CD) analysis is used to obtain a well-defined measure of σ donation and π back-donation and to find out how the corresponding charge flows affect the electron density at the electrophilic carbon undergoing the nucleophilic attack. This information is used to rationalize the activity of a series of catalysts in the nucleophilic attack step of a model hydroamination reaction. For the first time, the components of the Dewar-Chatt-Duncanson model, donation and back-donation, are put in quantitative correlation with the kinetic parameters of a chemical reaction. PMID:27119994

  15. Mineral catalysis of a potentially prebiotic aldol condensation

    Science.gov (United States)

    De Graaf, R. M.; Visscher, J.; Xu, Y.; Arrhenius, G.; Schwartz, A. W.

    1998-01-01

    Minerals may have played a significant role in chemical evolution. In the course of investigating the chemistry of phosphonoacetaldehyde (PAL), an analogue of glycolaldehyde phosphate, we have observed a striking case of catalysis by the layered hydroxide mineral hydrotalcite ([Mg2Al(OH)6][Cl.nH2O]). In neutral or moderately basic aqueous solutions, PAL is unreactive even at a concentration of 0.1 M. In the presence of a large excess of NaOH (2 M), the compound undergoes aldol condensation to produce a dimer containing a C3-C4 double-bond. In dilute neutral solutions and in the presence of the mineral, however, condensation takes place rapidly, to produce a dimer which is almost exclusively the C2-C3 unsaturated product.

  16. Value-added Chemicals from Biomass by Heterogeneous Catalysis

    DEFF Research Database (Denmark)

    Voss, Bodil

    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. The...... obtained for such a process and the hypothesis that process feasibility in comparison with the conventional synthesis gas based technologies may further be attainable, taking advantage of the conservation of chemical C-C bonds in biomass based feedstocks. With ethanol as one example of a biomass based...... 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 to...

  17. Lattice Field Theory Study of Magnetic Catalysis in Graphene

    CERN Document Server

    DeTar, Carleton; Zafeiropoulos, Savvas

    2016-01-01

    We discuss the simulation of the low-energy effective field theory (EFT) for graphene in the presence of an external magnetic field. Our fully nonperturbative calculation uses methods of lattice gauge theory to study the theory using a hybrid Monte Carlo approach. We investigate the phenomenon of magnetic catalysis in the context of graphene by studying the chiral condensate which is the order parameter characterizing the spontaneous breaking of chiral symmetry. In the EFT, the symmetry breaking pattern is given by $U(4) \\to U(2) \\times U(2)$. We also comment on the difficulty, in this lattice formalism, of studying the time-reversal-odd condensate characterizing the ground state in the presence of a magnetic field. Finally, we study the mass spectrum of the theory, in particular the Nambu-Goldstone (NG) mode as well as the Dirac quasiparticle, which is predicted to obtain a dynamical mass.

  18. Atomically precise cluster catalysis towards quantum controlled catalysts

    International Nuclear Information System (INIS)

    Catalysis of atomically precise clusters supported on a substrate is reviewed in relation to the type of reactions. The catalytic activity of supported clusters has generally been discussed in terms of electronic structure. Several lines of evidence have indicated that the electronic structure of clusters and the geometry of clusters on a support, including the accompanying cluster-support interaction, are strongly correlated with catalytic activity. The electronic states of small clusters would be easily affected by cluster–support interactions. Several studies have suggested that it is possible to tune the electronic structure through atomic control of the cluster size. It is promising to tune not only the number of cluster atoms, but also the hybridization between the electronic states of the adsorbed reactant molecules and clusters in order to realize a quantum-controlled catalyst. (review)

  19. Vanadium-modified molecular sieves: preparation, characterization and catalysis

    Directory of Open Access Journals (Sweden)

    Ângela A. Teixeira-Neto

    2009-01-01

    Full Text Available Vanadium-containing molecular sieves are redox catalysts and are good candidates as substitutes for oxide-supported V2O5 in a number of reactions. These materials have the advantage of presenting better dispersion of vanadium species, as well as shape-selective properties and controllable acidities. They may be prepared by one-pot synthesis or by post-synthesis methods and a number of techniques such as diffuse reflectance UV-visible spectroscopy, 51V nuclear magnetic resonance and electron paramagnetic resonance, to name but a few, have been used to characterize these materials. In this review, methods of preparation of vanadium-modified molecular sieves, their characterization and applications in catalysis are discussed.

  20. Proton-hydride tautomerism in hydrogen evolution catalysis.

    Science.gov (United States)

    Quintana, Luis M Aguirre; Johnson, Samantha I; Corona, Sydney L; Villatoro, Walther; Goddard, William A; Takase, Michael K; VanderVelde, David G; Winkler, Jay R; Gray, Harry B; Blakemore, James D

    2016-06-01

    Efficient generation of hydrogen from renewable resources requires development of catalysts that avoid deep wells and high barriers. Information about the energy landscape for H2 production can be obtained by chemical characterization of catalytic intermediates, but few have been observed to date. We have isolated and characterized a key intermediate in 2e(-) + 2H(+) → H2 catalysis. This intermediate, obtained by treatment of Cp*Rh(bpy) (Cp*, η(5)-pentamethylcyclopentadienyl; bpy, κ(2)-2,2'-bipyridyl) with acid, is not a hydride species but rather, bears [η(4)-Cp*H] as a ligand. Delivery of a second proton to this species leads to evolution of H2 and reformation of η(5)-Cp* bound to rhodium(III). With suitable choices of acids and bases, the Cp*Rh(bpy) complex catalyzes facile and reversible interconversion of H(+) and H2. PMID:27222576

  1. Cooperative catalysis with block copolymer micelles: A combinatorial approach

    KAUST Repository

    Bukhryakov, Konstantin V.

    2015-02-09

    A rapid approach to identifying complementary catalytic groups using combinations of functional polymers is presented. Amphiphilic polymers with "clickable" hydrophobic blocks were used to create a library of functional polymers, each bearing a single functionality. The polymers were combined in water, yielding mixed micelles. As the functional groups were colocalized in the hydrophobic microphase, they could act cooperatively, giving rise to new modes of catalysis. The multipolymer "clumps" were screened for catalytic activity, both in the presence and absence of metal ions. A number of catalyst candidates were identified across a wide range of model reaction types. One of the catalytic systems discovered was used to perform a number of preparative-scale syntheses. Our approach provides easy access to a range of enzyme-inspired cooperative catalysts.

  2. Shape-Controlled Metal Nanocrystals for Heterogeneous Catalysis.

    Science.gov (United States)

    Ruditskiy, Aleksey; Peng, Hsin-Chieh; Xia, Younan

    2016-06-01

    The ability to control the shape of metal nanocrystals allows us to not only maneuver their physicochemical properties but also optimize their activity in a variety of applications. Heterogeneous catalysis, in particular, would benefit tremendously from the availability of metal nanocrystals with controlled shapes and well-defined facets or surface structures. The immediate benefits may include significant enhancements in catalytic activity and/or selectivity along with reductions in the materials cost. We provide a brief account of recent progress in the development of metal nanocrystals with controlled shapes and thereby enhanced catalytic performance for several reactions, including formic acid oxidation, oxygen reduction, and hydrogenation. In addition to monometallic nanocrystals, we also cover a bimetallic system, in which the two metals are formulated as alloyed, core-shell, or core-frame structures. We hope this article will provide further impetus for the development of next-generation heterogeneous catalysts essential to a broad range of applications. PMID:27023659

  3. Catalysis of Electroweak Baryogenesis via Fermionic Higgs Portal Dark Matter

    CERN Document Server

    Chao, Wei

    2015-01-01

    We investigate catalysis of electroweak baryogenesis by fermionic Higgs portal dark matter using a two Higgs doublet model augmented by vector-like fermions. The lightest neutral fermion mass eigenstate provides a viable dark matter candidate in the presence of a stabilizing symmetry Z_2 or gauged U(1)_D symmetry. Allowing for a non-vanishing CP-violating phase in the lowest-dimension Higgs portal dark matter interactions allows generation of the observed dark matter relic density while evading direct detection bounds. The same phase provides a source for electroweak baryogenesis. We show that it is possible to obtain the observed abundances of visible and dark matter while satisfying present bounds from electric dipole moment (EDM) searches and direct detection experiments. Improving the present electron (neutron) EDM sensitivity by one (two) orders of magnitude would provide a conclusive test of this scenario.

  4. The underlying electrode causes the reported 'electro-catalysis' observed at C60-modified glassy carbon electrodes in the case of N-(4-hydroxyphenyl)ethanamide and salbutamol

    International Nuclear Information System (INIS)

    The reported 'electro-catalysis' of C60-film-modified electrodes for the electrochemical oxidation of N-(4-hydroxyphenyl)ethanamide and salbutamol has been explored at boron-doped diamond and glassy carbon electrodes. Using both C60-film-modified boron-doped diamond and glassy carbon as underlying electrode substrates no electro-catalytic response is observed using the target analytes but rather the C60 serves to block the electrode surface. A common experimental protocol used by researchers in this field is to electrochemically pre-treat the C60-film-modified electrode. The response of employing this electrochemical pre-treatment at both bare glassy carbon and boron-doped diamond electrodes using the target analytes reveals that no effect on the electrochemical responses obtained at the boron-doped diamond electrode whereas a slight but significant effect occurs on glassy carbon which is attributed to the likely introduction of surface oxygenated species. Consequently the previously reported 'electro-catalysis' using C60-film-modified electrode is not due to C60 itself being catalytic, but rather that substrate activation through electrode pre-treatment is responsible for the observed 'electro-catalysis' likely through the introduction of surface oxygenated species. This work clearly shows that substrate activation is an important parameter which researchers studying C60-film-modified electrodes, especially in electro-analysis needs to be considered

  5. Catalysis. Innovative applications in petrochemistry and refining. Preprints

    Energy Technology Data Exchange (ETDEWEB)

    Ernst, S.; Balfanz, U.; Jess, A.; Lercher, J.A.; Lichtscheidl, J.; Marchionna, M.; Nees, F.; Santacesaria, E. (eds.)

    2011-07-01

    Within the DGMK conference at 4th to 6th October, 2011 in Dresden (Federal Republic of Germany) the following lectures were held: (1) Developing linear-alpha-olefins technology - From laboratory to a commercial plant (A. Meiswinkel); (2) New developments in oxidation catalysis (F. Rosowski); (3) Study of the performance of vanadium based catalysts prepared by grafting in the oxidative dehydrogenation of propane (E. Santacesaria); (4) Hydrocracking for oriented conversion of heavy oils: recent trends for catalyst development (F. Bertoncini); (5) Acidic ionic liquids for n-alkane isomerization in a liquid-liquid or slurry-phase reaction mode (C. Meyer); (6) Dual catalyst system for the hydrocracking of heavy oils and residues (G. Bellussi); (7) Understanding hydrodenitrogenation on novel unsupported sulphide Mo-W-Ni catalysts (J. Hein); (8) Hydrocracking of ethyllaurate on bifunctional micro-/mesoporous composite materials (M. Adam); (9) Catalytic dehydration of ethanol to ethylene (Ying Zhu); (10) The Evonik-Uhde HPPO process for propylene oxide production (B. Jaeger); (11) A green two-step process for adipic acid production from cyclohexene: A study on parameters affecting selectivity (F. Cavani); (12) DISY: The direct synthesis of hydrogen peroxide, a bridge for innovative applications (R, Buzzoni); (13) Solid catalyst with ionic liquid layer (SCILL) - A concept to improve the selectivity of selective hydrogenations (A. Jess); (14) Co-Zn-Al based hydrotalcites as catalysts for Fischer-Tropsch process (C.L. Bianchi); (15) Honeycomb supports with high thermal conductivity for the Fischer-Tropsch synthesis (C.G. Visconti); (16) How to make Fischer-Tropsch catalyst scale-up fully reliable (L. Fischer); (17) New developments in FCC catalysis (C.P. Kelkar); (18) The potential of medium-pore zeolites for improved propene yields from catalytic cracking (F. Bager).

  6. Catalysis Science Initiative: Catalyst Design by Discovery Informatics

    Energy Technology Data Exchange (ETDEWEB)

    Delgass, William Nicholas [Purdue Univ., West Lafayette, IN (United States). Chemical Engineering; Abu-Omar, Mahdi [Purdue Univ., West Lafayette, IN (United States) Department of Chemistry; Caruthers, James [Purdue Univ., West Lafayette, IN (United States). Chemical Engineering; Ribeiro, Fabio [Purdue Univ., West Lafayette, IN (United States). Chemical Engineering; Thomson, Kendall [Purdue Univ., West Lafayette, IN (United States). Chemical Engineering; Schneider, William [Univ. of Notre Dame, IN (United States)

    2016-07-08

    Catalysts selectively enhance the rates of chemical reactions toward desired products. Such reactions provide great benefit to society in major commercial sectors such as energy production, protecting the environment, and polymer products and thereby contribute heavily to the country’s gross national product. Our premise is that the level of fundamental understanding of catalytic events at the atomic and molecular scale has reached the point that more predictive methods can be developed to shorten the cycle time to new processes. The field of catalysis can be divided into two regimes: heterogeneous and homogeneous. For the heterogeneous catalysis regime, we have used the water-gas shift (WGS) reaction (CO + H2O + CO2 + H2O) over supported metals as a test bed. Detailed analysis and strong coupling of theory with experiment have led to the following conclusions: • The sequence of elementary steps goes through a COOH intermediate • The CO binding energy is a strong function of coverage of CO adsorbed on the surface in many systems • In the case of Au catalysts, the CO adsorption is generally too weak on surface with close atomic packing, but the enhanced binding at corner atoms (which are missing bonding partners) of cubo-octahedral nanoparticles increases the energy to a near optimal value and produces very active catalysts. • Reaction on the metal alone cannot account for the experimental results. The reaction is dual functional with water activation occurring at the metal-support interface. It is clear from our work that the theory component is essential, not only for prediction of new systems, but also for reconciling data and testing hypotheses regarding potential descriptors. Particularly important is the finding that the interface between nano-sized metal particles and the oxides that are used to support them represent a new state of matter in the sense that the interfacial bonding perturbs the chemical state of both metals atoms and the support

  7. Acid catalysis of the formation of the slow-folding species of RNase A: Evidence that the reaction is proline isomerization

    Science.gov (United States)

    Schmid, Franz X.; Baldwin, Robert L.

    1978-01-01

    Unfolded RNase A is known to contain an equilibrium mixture of two forms, a slow-folding form (U1) and a fast-folding form (U2). If U1 is produced after unfolding by the slow cis-trans isomerization of proline residues about X-Pro imide bonds, then the formation of U1 should be catalyzed by strong acids. Therefore, the rate of formation of U1 has been measured at different HClO4 concentrations. After rapid unfolding of the native protein in concentrated HClO4 at 0°, the slow formation of U1 was measured by use of refolding assays. Catalysis of its formation was found at HClO4 concentrations above 5 M. The uncatalyzed reaction follows apparent first-order kinetics but, in the acid-catalyzed range, two reactions are found. The faster reaction produces two-thirds of the slow-folding species and shows acid catalysis above 5 M HClO4. Catalysis of the slower reaction begins at 8 M HClO4. The faster reaction shows a 100-fold increase in rate at 10.6 M HClO4 over the rate of the uncatalyzed reaction of 5 M. The activation enthalpy of the uncatalyzed reaction has been measured in two sets of unfolding conditions: ΔH‡ is 21.5 kcal/mol (1 kcal = 4.2 × 103 J) in 3.3 M HClO4 and 21.0 kcal/mol in 5 M guanidine HCl, pH 2.5. Both acid catalysis of the formation of U1 and its high activation enthalpy are consistent with the rate-limiting step being cis-trans isomerization either of X-Pro imide bonds or of peptide bond. The rate of the uncatalyzed reaction is in the range expected for proline isomerization and is 0.1% of that of peptide bond isomerization; thus, the simplest explanation for the formation of U1 is proline isomerization. Earlier data, showing that the kinetic properties of the U1 ⇄ U2 reaction in refolding conditions differ from those of proline isomerization, can be explained if there is kinetic coupling between early steps in the folding of U1 and its conversion to U2. The existence of two acid-catalyzed reactions that are distinguished by the HClO4

  8. [Hormonal contraception in juveniles--beginning at what age?].

    Science.gov (United States)

    Brennecke, B; Retzke, U

    1982-06-01

    Sexual life today begins between ages 16 and 19. Since there is no desire for children at this time, some contraceptive method is needed. The legalizing of abortion up through the 12th week has reduced the number of young unwed mothers, but it involves a risk of later complications. Thus the pill is the most acceptable variant for young people. They should not be prescribed, however, before the girl has had periods for at least 2 years. Ovarian function should be intact, and the menstrual cycle should be stable. And there must be a genuine need for a permanent contraceptive. If the girl has sexual activity only from time to time, other methods than the pill might be preferable. After 2 years it has been the custom to stop using the pill for a while to check ovarian function, but newer research indicates that this may no longer be necessary. We were worried about the effect of hormones on growth, but it now seems that a dose 4 times as large as that used in contraceptives is needed in order to impede growth. Intrauterine pessaries should be used only in problem cases (such as juvenile diabetics). No minimum age for use of contraceptives can be given, as it depends on the start of menarche. Sequential preparations should be given preference. PMID:7124018

  9. Begin, After, and Later: a Maximal Decidable Interval Temporal Logic

    Directory of Open Access Journals (Sweden)

    Davide Bresolin

    2010-06-01

    Full Text Available Interval temporal logics (ITLs are logics for reasoning about temporal statements expressed over intervals, i.e., periods of time. The most famous ITL studied so far is Halpern and Shoham's HS, which is the logic of the thirteen Allen's interval relations. Unfortunately, HS and most of its fragments have an undecidable satisfiability problem. This discouraged the research in this area until recently, when a number non-trivial decidable ITLs have been discovered. This paper is a contribution towards the complete classification of all different fragments of HS. We consider different combinations of the interval relations Begins, After, Later and their inverses Abar, Bbar, and Lbar. We know from previous works that the combination ABBbarAbar is decidable only when finite domains are considered (and undecidable elsewhere, and that ABBbar is decidable over the natural numbers. We extend these results by showing that decidability of ABBar can be further extended to capture the language ABBbarLbar, which lays in between ABBar and ABBbarAbar, and that turns out to be maximal w.r.t decidability over strongly discrete linear orders (e.g. finite orders, the naturals, the integers. We also prove that the proposed decision procedure is optimal with respect to the complexity class.

  10. Historic moment as SESAME begins storage ring installation

    CERN Multimedia

    JORDAN

    2016-01-01

    The first of the 16 cells of SESAME (link is external)’s storage ring was installed recently in the shielding tunnel in the Centre’s experimental hall in Allan, Jordan. SESAME will be the Middle East’s first synchrotron light source. The installation was led by SESAME’s Technical Director, Erhard Huttel, with help from members of CERN forming part of the CESSAMag (CERN-EC Support for SESAME Magnets) team as well as scientists and technicians from the SESAME region. Each cell consists of magnets (dipole, quadrupoles and sextupoles) and the vacuum chamber, supported by a girder. After many years in the making, commissioning of SESAME is scheduled to begin in 2016, serving a growing community of some 300 scientists from the region. The initial research programme will cover topics as diverse as the search for new cancer drugs to the exploration of the regions shared cultural heritage. SESAME is also a pioneer in promoting international cooperation in the region. The laboratory is expected

  11. Cooperative research in coal liquefaction

    Energy Technology Data Exchange (ETDEWEB)

    Huffman, G.P.; Sendlein, L.V.A. (eds.)

    1991-05-28

    Significant progress was made in the May 1990--May 1991 contract period in three primary coal liquefaction research areas: catalysis, structure-reactivity studies, and novel liquefaction processes. A brief summary of the accomplishments in the past year in each of these areas is given.

  12. 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 ...

  13. Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis

    Czech Academy of Sciences Publication Activity Database

    Mueller, J. E.; Krtil, Petr; Kubler, L. A.; Jacob, T.

    2014-01-01

    Roč. 16, č. 29 (2014), s. 15029-15042. ISSN 1463-9076 Institutional support: RVO:61388955 Keywords : Bimetallic alloys * electrochemistry * catalysis Subject RIV: CG - Electrochemistry Impact factor: 4.493, year: 2014

  14. A Course in Heterogeneous Catalysis: Principles, Practice, and Modern Experimental Techniques.

    Science.gov (United States)

    Wolf, Eduardo E.

    1981-01-01

    Outlines a multidisciplinary course which comprises fundamental, practical, and experimental aspects of heterogeneous catalysis. The course structure is a combination of lectures and demonstrations dealing with the use of spectroscopic techniques for surface analysis. (SK)

  15. Biodiesel production through in situ transesterification of sunflower seeds by homogeneous and heterogeneous catalysis

    International Nuclear Information System (INIS)

    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 KOH and K2CO3 were evaluated using the same oil:methanol ratio of 1:90. KOH showed to be more active than K2CO3, leading to total conversion in biodiesel after 1h reaction time. In the heterogeneous catalysis the activity of K2CO3/Al2O3 was comparable to the activity of K2CO3 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)

  16. 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.

  17. Inverse Magnetic Catalysis in Nambu--Jona-Lasinio Model beyond Mean Field

    CERN Document Server

    Mao, Shijun

    2016-01-01

    We study inverse magnetic catalysis in the Nambu--Jona-Lasinio model beyond mean field approximation. The feed-down from mesons to quarks is embedded in an effective coupling constant at finite temperature and magnetic field. While the magnetic catalysis is still the dominant effect at low temperature, the meson dressed quark mass drops down with increasing magnetic field at high temperature due to the dimension reduction of the Goldstone mode in the Pauli-Villars regularization scheme.

  18. 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

  19. Mechanistic insights into enzymatic and homogeneous transition metal catalysis from quantum-chemical calculations

    OpenAIRE

    Crawford, Luke

    2015-01-01

    Catalysis is a key area of chemistry. Through catalysis it is possible to achieve better synthetic routes, exploit molecules normally considered to be inactive and also attain novel chemical transformations. The development of new catalysts is crucial to furthering chemistry as a field. Computational chemistry, arising from applying the equations of quantum and classical mechanics to solving chemical problems, offers an essential route to investigating the underlying atomistic detail of ca...

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

    OpenAIRE

    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 reaction chemistry and process kinetics characterising a particular feedstock are determinant factors for obtaining high-grade biodiesel. When using heterogeneous catalysis, the biodiesel quality of ...