WorldWideScience

Sample records for chemistry design recommendations

  1. Design Review Improvement Recommendations

    Science.gov (United States)

    2015-06-18

    Worcester, Boeing Anne Ramsey, Harris Corporation Ronald H. Mandel, Lockheed Martin Mark King, Micropac Industries Melanie Berg, NASA Cindy...Peters, Raytheon Donna Potter , SSL ii Executive Summary The aerospace industry continues to experience design escapes that significantly impact

  2. Education in Environmental Chemistry: Setting the Agenda and Recommending Action

    Science.gov (United States)

    Zoller, Uri

    2005-01-01

    The effective utilization of Education in Environmental Chemistry (EEC) in addressing global and societal environmental problems requires integration between educational, technical, financial, ethical and societal considerations. An interdisciplinary approach is fundamental to efforts to achieve long-term solutions.

  3. Recommendation in Motion: Intelligent Hypertouch Garment Design

    Directory of Open Access Journals (Sweden)

    Shuang Liang

    2013-01-01

    Full Text Available Intelligent CAD garment design becomes more and more popular by attracting the attentions from both manufacturers and professional stylists. The existing garment CAD systems and clothing simulation software fail to provide user-friendly interfaces as well as dynamic recommendation during the garment creation process. In this paper, we propose an intelligent hypertouch garment design system, which dynamically predicts the possible solutions along with the intelligent design procedure. User behavioral information and dynamic shape matching are used to learn and predict the desired garment patterns. We also propose a new hypertouch concept of gesture-based interaction for our system. We evaluate our system with a prototype platform. The results show that our system is effective, robust, and easy to use for quick garment design.

  4. ERGONOMIC DESIGN RECOMMENDATIONS BASED ON AN ACTUAL CHAINSAW DESIGN

    Directory of Open Access Journals (Sweden)

    J. Kaljun

    2012-01-01

    Full Text Available

    ENGLISH ABSTRACT: To develop high quality products, a designer has to consider various influential factors, one of which is ergonomics. And to fashion a specific product for the user, a designer needs expert knowledge of the user’s requirements. However, expert knowledge can also be accessed through an intelligent advisory system for ergonomic design support. The effectiveness of such an expert system depends mainly on the quality of the knowledge base and on the appropriateness of the system's inference engine. Data for the system’s knowledge base can be collected in different ways. One approach is to study relevant projects to collect appropriate ergonomic solutions; another is to recognise bottlenecks in ergonomic design. This paper presents a case study of the design of an actual chainsaw – with emphasis on ergonomic design solutions – that can be transformed into ergonomic design recommendations. At the end of the paper, an application of one of the derived recommendations within the knowledge base of the intelligent advisory system is presented.

    AFRIKAANSE OPSOMMING: By die ontwerp van gehaltegoedere moet aandag gegee word aan verskeie faktore soos die Ergonomie. Die produkontwerper moet deeglike kennis dra van die verbruikersbehoeftes. Daarbenewens moet hy liefs ook gebruik maak van ’n intelligente sisteem vir ontwerphulp. Die navorsing is toegespits op datasteun vir ’n kettingsaagontwerp en toon hoe die intelligente sisteem betekenisvolle ondersteuning verleen.

  5. Design Features of the SMART Water Chemistry

    International Nuclear Information System (INIS)

    Byung Seon Choi; Seong Hoon Kim; Juhyeon Yoon; Doo Jeong Lee; Yoon Yeong Bae; Sung Kyun Zee

    2004-01-01

    The design features for the primary water chemistry for the SMART are introduced from the viewpoint of the system characteristics and the chemical design concept. The most essential differences in water chemistry between the commercially operating PWRs and SMART are characterized by the presence of boron in the water and the operating mode of the purification system. SMART is a soluble boron free reactor, and the ammonia is used as a pH reagent. The material for SMART steam generator is also different from the standard material of the commercially operating PWRs: titanium alloy for the steam generator tubes. In SMART hydrogen gas which suppresses a generation of oxidizing species by the radiolysis processes in the reactors is not added to the primary coolant, but is normally generated from the radiolysis of the ammonia as the coolant passes through the core. Ammonia is added once per shift because SMART reactor has no letdown and charging system during power operation. Because of these competing processes, the concentrations of hydrogen, nitrogen and ammonia in the primary coolant are in equilibrium, which depend on the decomposition and/or combination rate of the ammonia. The level of permissible oxygen concentration in the primary coolant can be ensured by both suppression of the water radiolysis through maintaining a high enough hydrogen concentration in the primary coolant and by a restriction of the oxygen ingress into the primary coolant with the makeup water. The ammonia chemistry in SMART reactor eliminates the need for hydrogen injection for the control of the dissolved oxygen in the primary coolant because of spontaneous generation of hydrogen and nitrogen produced by the reaction of the ammonia decomposition. (authors)

  6. Experimental design in chemistry: A tutorial.

    Science.gov (United States)

    Leardi, Riccardo

    2009-10-12

    In this tutorial the main concepts and applications of experimental design in chemistry will be explained. Unfortunately, nowadays experimental design is not as known and applied as it should be, and many papers can be found in which the "optimization" of a procedure is performed one variable at a time. Goal of this paper is to show the real advantages in terms of reduced experimental effort and of increased quality of information that can be obtained if this approach is followed. To do that, three real examples will be shown. Rather than on the mathematical aspects, this paper will focus on the mental attitude required by experimental design. The readers being interested to deepen their knowledge of the mathematical and algorithmical part can find very good books and tutorials in the references [G.E.P. Box, W.G. Hunter, J.S. Hunter, Statistics for Experimenters: An Introduction to Design, Data Analysis, and Model Building, John Wiley & Sons, New York, 1978; R. Brereton, Chemometrics: Data Analysis for the Laboratory and Chemical Plant, John Wiley & Sons, New York, 1978; R. Carlson, J.E. Carlson, Design and Optimization in Organic Synthesis: Second Revised and Enlarged Edition, in: Data Handling in Science and Technology, vol. 24, Elsevier, Amsterdam, 2005; J.A. Cornell, Experiments with Mixtures: Designs, Models and the Analysis of Mixture Data, in: Series in Probability and Statistics, John Wiley & Sons, New York, 1991; R.E. Bruns, I.S. Scarminio, B. de Barros Neto, Statistical Design-Chemometrics, in: Data Handling in Science and Technology, vol. 25, Elsevier, Amsterdam, 2006; D.C. Montgomery, Design and Analysis of Experiments, 7th edition, John Wiley & Sons, Inc., 2009; T. Lundstedt, E. Seifert, L. Abramo, B. Thelin, A. Nyström, J. Pettersen, R. Bergman, Chemolab 42 (1998) 3; Y. Vander Heyden, LC-GC Europe 19 (9) (2006) 469].

  7. Design of a Dynamic Undergraduate Green Chemistry Course

    Science.gov (United States)

    Kennedy, Sarah A.

    2016-01-01

    The green chemistry course taught at Westminster College (PA) incorporates nontraditional teaching techniques and texts to educate future chemists about the importance of using green chemistry principles. The course is designed to introduce green chemistry concepts and demonstrate their inherent necessity by discussing historical missteps by the…

  8. Education in Environmental Chemistry: Setting the Agenda and Recommending Action. A Workshop Report Summary

    Science.gov (United States)

    Zoller, Uri

    2005-08-01

    Worldwide, the essence of the current reform in science education is a paradigm shift from algorithmic, lower-order cognitive skills (LOCS) teaching to higher-order cognitive skills (HOCS) learning. In the context of education in environmental chemistry (EEC), the ultimate goal is to educate students to be science technology environment society (STES)-literate, capable of evaluative thinking, decision making, problem solving and taking responsible action accordingly. Educators need to translate this goal into effective courses that can be implemented: this includes developing teaching strategies and assessment methodologies that are consonant with the goal of HOCS learning. An international workshop—"Environmental Chemistry Education in Europe: Setting the Agenda"—yielded two main recommendations for those undertaking educational reform in science education, particularly to promote meaningful EEC. The first recommendation concerns integration of environmental sciences into core chemistry courses as well as the development and implementation of HOCS-promoting teaching strategies and assessment methodologies in chemical education. The second emphasizes the development of students' HOCS for transfer, followed by performance assessment of HOCS. This requires changing the way environmental chemistry is typically taught, moving from a narrowly focused approach (applied analytical, ecotoxicological, or environmental engineering chemistry) to an interdisciplinary and multidisciplinary approach.

  9. Green Goggles: Designing and Teaching a General Chemistry Course to Nonmajors Using a Green Chemistry Approach

    Science.gov (United States)

    Prescott, Sarah

    2013-01-01

    A novel course using green chemistry as the context to teach general chemistry fundamentals was designed, implemented and is described here. The course design included an active learning approach, with major course graded components including a weekly blog entry, exams, and a semester project that was disseminated by wiki and a public symposium.…

  10. Building Units Design and Scale Chemistry

    Science.gov (United States)

    Férey, Gérard

    2000-06-01

    The concept of a building unit (BU) is used in two ways: the first is an a posteriori tool for description of structures which can be used to imagine new topologies originating from the description; the second one, restricted to the routes leading to the solid from the solution, starts from the reality of these building units in the solution to design new solids obtained by the tuned precipitation of these BUs with proper counterions. The room temperature and the hydrothermal routes are examined. The existence of BUs with different sizes with close topologies, revealed by numerous examples, leads us to define the notion of "scale chemistry" which concerns the edification of solids with various BUs, either organic, hybrid, or inorganic, and the consequences it has for the corresponding frameworks and the voids they generate. Not only the framework is important, and applications of the existence of large cavities are discussed. The paper ends with a discussion of the new trends which arise from this topological concept.

  11. Consequences of the new ICRP recommendations on uranium enrichment and uranium chemistry

    International Nuclear Information System (INIS)

    Bonnefoy-Claudet, J.

    1991-01-01

    From the first available information on the draft of new recommendations of the International Commission Radiological Protection, consequences should be very different depending upon industry type and handled products. That is to say: negligible for uranium enrichment by gaseous diffusion and important for future laser isotope separation techniques and for uranium chemistry especially for oxide treatment. This is enhanced when the products are coming from reprocessing [fr

  12. 40 CFR 240.202-2 - Recommended procedures: Design.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Design. 240... § 240.202-2 Recommended procedures: Design. (a) Whenever possible, thermal processing facilities should be located in areas zoned for industrial use and having adequate utilities to serve the facility. (b...

  13. Facile design of biomaterials by 'click' chemistry

    DEFF Research Database (Denmark)

    Hvilsted, Søren

    2012-01-01

    The advent of the so‐called ‘click chemistry’ a decade ago has significantly improved the chemical toolbox for producing novel biomaterials. This review focuses primarily on the application of Cu(I)‐catalysed azide–alkyne 1,3‐cycloadditon in the preparation of numerous, diverse biomaterials...... chemistry is elaborated. The present state of creating functional and biologically active surfaces by click chemistry is presented. Finally, conducting surfaces based on an azide‐functionalized polymer with prospective biological sensor potential are introduced. Copyright © 2012 Society of Chemical Industry...

  14. Recommended design correlations for S-65 beryllium

    International Nuclear Information System (INIS)

    Billone, M.C.

    1995-01-01

    The properties of tritium and helium behavior in irradiated beryllium are reviewed, along with the thermal-mechanical properties needed for ITER design analysis. Correlations are developed to describe the performance of beryllium in a fusion reactor environment. While this paper focuses on the use of beryllium as a plasma-facing component (PFC) material, the correlations presented here can also be used to describe the performance of beryllium as a neutron multiplier for a tritium breeding blanket. The performance properties for beryllium are subdivided into two categories: properties which do not change with irradiation damage to the bulk of the material; and properties which are degraded by neutron irradiation. The irradiation-independent properties described within are: thermal conductivity, specific heat capacity, thermal expansion, and elastic constants. Irradiation-dependent properties include: yield strength, ultimate tensile strength, plastic tangent modulus, uniform and total tensile elongation, thermal and irradiation-induced creep strength, He-induced swelling and tritium retention/release. The approach taken in developing properties correlations is to describe the behavior of dense, pressed S-65 beryllium -- the material chosen for ITER PFC application -- as a function of temperature. As there are essentially no data on the performance of porous and/or irradiated S-65 beryllium, the degradation of properties with as-fabricated porosity and irradiation are determined from the broad data base on S-200F, as well as other types and grades, and applied to S-65 beryllium by scaling factors. The resulting correlations can be used for Be produced by vacuum hot pressing (VHP) and cold-pressing (CP)/sintering(S)/hot-isostatic-pressing (HIP). The performance of plasma-sprayed beryllium is discussed but not quantified

  15. Design and operating condition. Consequences for EDF NPP's chemistry

    International Nuclear Information System (INIS)

    Bretelle, Jean-Luc; Stutzmann, Agnes; Nordmann, Francis

    2009-01-01

    Since the beginning of the French nuclear programme in 1977, four major types of design have been commissioned, the fifth one being under construction (EPR). The paper points out advantages and drawbacks of chemistry choices for the primary, secondary and tertiary systems in French NPP, for each design particularity and it describes the corresponding operating conditions. Chemistry option proposals are drawn for the future of the French fleet, taking into account the material behaviour and the operation improvement. (orig.)

  16. Organic carbamates in drug design and medicinal chemistry.

    Science.gov (United States)

    Ghosh, Arun K; Brindisi, Margherita

    2015-04-09

    The carbamate group is a key structural motif in many approved drugs and prodrugs. There is an increasing use of carbamates in medicinal chemistry and many derivatives are specifically designed to make drug-target interactions through their carbamate moiety. In this Perspective, we present properties and stabilities of carbamates, reagents and chemical methodologies for the synthesis of carbamates, and recent applications of carbamates in drug design and medicinal chemistry.

  17. Brownfields Recommendations for Sustainable Site Design — Green Landscape Plan

    Science.gov (United States)

    The assessment of conditions contained in this report focuses on site-specific environmental and soil conditions that might affect recommendations related to sustainable landscaping and site design, stormwater management, and stormwater reuse.

  18. Advanced plant design recommendations from Cook Nuclear Plant experience

    International Nuclear Information System (INIS)

    Zimmerman, W.L.

    1993-01-01

    A project in the American Electric Power Service Corporation to review operating and maintenance experience at Cook Nuclear Plant to identify recommendations for advanced nuclear plant design is described. Recommendations so gathered in the areas of plant fluid systems, instrument and control, testing and surveillance provisions, plant layout of equipment, provisions to enhance effective maintenance, ventilation systems, radiological protection, and construction, are presented accordingly. An example for a design review checklist for effective plant operations and maintenance is suggested

  19. Precast, Prestressed Concrete Bent Caps : Volume 2, Design Recommendations and Design Examples

    Science.gov (United States)

    2018-04-01

    Recommendations for design of pretensioned bent caps are developed based on the findings of full-scale experimental tests of bent cap subassemblages. Companion examples are provided to demonstrate implementation of the design recommendations. First, ...

  20. Design methods and criteria recommended by the RAMSES committee

    International Nuclear Information System (INIS)

    Jakubowicz, H.; Moulin, D.; Petrequin, P.; Tortel, J.; Schaller, K.

    1980-09-01

    The design of structures of LMFBR in France must comply with the national regulations and takes into account the rules adopted by other countries but these rules need complements. The French Atomic Energy Commission has founded a committee named RAMSES (which states for 'Regles d'Analyse Mecanique des Structures') in order to write recommendations to give out the needed informations on design rules based on all the available background experience. The elastic follow up problem has received great attention and a recommendation was already printed. Of great concern in elevated temperature is a creep fatigue investigation. A creep fatigue design method adapted to materials used is being set up

  1. Practical Recommendations for the Preliminary Design Analysis of ...

    African Journals Online (AJOL)

    Interior-to-exterior shear ratios for equal and unequal bay frames, as well as column inflection points were obtained to serve as practical aids for preliminary analysis/design of fixed-feet multistory sway frames. Equal and unequal bay five story frames were analysed to show the validity of the recommended design ...

  2. Trusted Service Scheduling and Optimization Strategy Design of Service Recommendation

    Directory of Open Access Journals (Sweden)

    Xiaona Xia

    2017-01-01

    Full Text Available More and more Web services raise the demands of personalized service recommendation; there exist some recommendation technologies, which improve the qualities of service recommendation by using service ranking and collaborative filtering. However, privacy and security are also important issues in service scheduling process; social relationships have been the key factors of interpersonal communication; service selection based on user preferences has become an inevitable trend. Starting from user demand preferences, this paper analyzes social topology and service demand information and obtains trusted social relationships; then we construct the fusion model of service historical preferences and potential ones; according to social service recommendation demands, TSRSR algorithm has completed designing. Through experiments, TSRSR algorithm is much better than the others, which can effectively improve potential preferences’ learning. Furthermore, the research results of this paper have more significance to study the security and privacy of service recommendation.

  3. Technology, recommendation and design: on being a 'paternalistic' philosopher.

    Science.gov (United States)

    Wong, Pak-Hang

    2013-03-01

    Philosophers have talked to each other about moral issues concerning technology, but few of them have talked about issues of technology and the good life, and even fewer have talked about technology and the good life with the public in the form of recommendation. In effect, recommendations for various technologies are often left to technologists and gurus. Given the potential benefits of informing the public on their impacts on the good life, however, this is a curious state of affairs. In the present paper, I will examine why philosophers are seemingly reluctant to offer recommendations to the public. While there are many reasons for philosophers to refrain from offering recommendations, I shall focus on a specific normative reason. More specifically, it appears that, according to a particular definition, offering recommendations can be viewed as paternalistic, and therefore is prima facie wrong to do so. I will provide an argument to show that the worry about paternalism is unfounded, because a form of paternalism engendered by technology is inevitable. Given the inevitability of paternalism, I note that philosophers should accept the duty to offer recommendations to the public. I will then briefly turn to design ethics, which has reconceptualised the role of philosophers and, in my mind, fitted well with the inevitability of paternalism. Finally, I shall argue that design ethics has to be supplemented by the practice of recommendation if it is to sustain its objective.

  4. Recommendations on the use and design of risk matrices

    DEFF Research Database (Denmark)

    Duijm, Nijs Jan

    2015-01-01

    of the risk matrix. The objective of this paper is to explore these weaknesses, and provide recommendations for the use and design of risk matrices. The paper reviews the few relevant publications and adds some observations of its own in order to emphasize existing recommendations and add some suggestions...... of its own. The recommendations cover a range of issues, among them: the relation between coloring the risk matrix and the definition of risk and major hazard aversion; the qualitative, subjective assessment of likelihood and consequence; the scaling of the discrete likelihood and consequence categories...

  5. Recommendation of federal protected area designation for Sable Island

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-04-15

    A report by the Canada - Nova Scotia Sable Island Task Group (TG) and its partners recommends the appropriate federal protected area designation for Sable Island as being either that of a national wildlife area or of a national park, and includes objectives and a synopsis of the analyses of the designation options. It was found that both protected area designations are feasible and would ensure equivalent and comprehensive conservation of the ecology and wildlife on the Island, including the horses, but the TG's preferred recommendation is the designation of Sable Island as a National Park under the Canada National Parks Act. The next steps include consultations and a review of the issues identified during these consultations to facilitate the designation.

  6. Designing Interactive Electronic Module in Chemistry Lessons

    Science.gov (United States)

    Irwansyah, F. S.; Lubab, I.; Farida, I.; Ramdhani, M. A.

    2017-09-01

    This research aims to design electronic module (e-module) oriented to the development of students’ chemical literacy on the solution colligative properties material. This research undergoes some stages including concept analysis, discourse analysis, storyboard design, design development, product packaging, validation, and feasibility test. Overall, this research undertakes three main stages, namely, Define (in the form of preliminary studies); Design (designing e-module); Develop (including validation and model trial). The concept presentation and visualization used in this e-module is oriented to chemical literacy skills. The presentation order carries aspects of scientific context, process, content, and attitude. Chemists and multi media experts have done the validation to test the initial quality of the products and give a feedback for the product improvement. The feasibility test results stated that the content presentation and display are valid and feasible to be used with the value of 85.77% and 87.94%. These values indicate that this e-module oriented to students’ chemical literacy skills for the solution colligative properties material is feasible to be used.

  7. Implementing a Student-Designed Green Chemistry Laboratory Project in Organic Chemistry

    Science.gov (United States)

    Graham, Kate J.; Jones, T. Nicholas; Schaller, Chris P.; McIntee, Edward J.

    2014-01-01

    A multiweek organic chemistry laboratory project is described that emphasizes sustainable practices in experimental design. An emphasis on student-driven development of the project is meant to mirror the independent nature of research. Students propose environmentally friendly modifications of several reactions. With instructor feedback, students…

  8. Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry.

    Science.gov (United States)

    Bachrach, Steven M.; Burleigh, Darin C.; Krassivine, Anatoli

    1998-01-01

    Discusses how the journal "Internet Journal of Chemistry" is designed to take advantage of newly available technologies. Describes the development of the concept of an electronic journal, decision-making on the scope and coverage of the journal, financial logistics, and how the journal will be implemented. Includes perspectives on how this new…

  9. Environmental analytical chemistry: Design of experiments

    International Nuclear Information System (INIS)

    Sanchez Alonso, F.

    1990-01-01

    The design of experiments is needed any time a work on analysis research or development is performed, in order to explain a physical phenomenon through a mathematical model or trying to optimize any kind of process. Therefore it results an unavoidable technique since multidimensional approximation are more economical and reliable. An empirical approximation is never so efficient and generally provides lower qualities. It is known as 'design of experiments' a group of mathematical-statistical techniques that have the maximum information about our problem and consequently the results obtained will have the maximum quality. The modelization of a physic phenomenon, the basic concepts in order to design the experiments and the analysis of results are studied in detail

  10. Physics and Its Interfaces with Medicinal Chemistry and Drug Design

    Science.gov (United States)

    Santos, Ricardo N.; Andricopulo, Adriano D.

    2013-08-01

    Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of fields of science, including, but not limited to, chemistry, biology, and physics. The area of drug design involves the cooperative work of scientists with a diverse range of backgrounds and technical skills, trying to tackle complex problems using an integration of approaches and methods. One important contribution to this field comes from physics through studies that attempt to identify and quantify the molecular interactions between small molecules (drugs) and biological targets (receptors), such as the forces that govern the interactions, the thermodynamics of the drug-receptor interactions, and so on. In this context, the interfaces of physics, medicinal chemistry, and drug design are of vital importance for the development of drugs that not only have the right chemistry but also the right intermolecular properties to interact at the macromolecular level, providing useful information about the principles and molecular mechanisms underlying the therapeutic action of drugs. This article highlights some of the most important connections between physics and medicinal chemistry in the design of new drugs.

  11. Computational Chemistry Toolkit for Energetic Materials Design

    Science.gov (United States)

    2006-11-01

    industry are aggressively engaged in efforts to develop multiscale modeling and simulation methodologies to model and analyze complex phenomena across...energetic materials design. It is hoped that this toolkit will evolve into a collection of well-integrated multiscale modeling methodologies...Experimenta Theoreticala This Work 1-5-Diamino-4- methyl- tetrazolium nitrate 8.4 41.7 47.5 1-5-Diamino-4- methyl- tetrazolium azide 138.1 161.6

  12. 40 CFR 240.205-2 - Recommended procedures: Design.

    Science.gov (United States)

    2010-07-01

    ... air pollution control technology. (b) All emissions, including dust from vents, should be controlled. ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Design. 240.205-2 Section 240.205-2 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID...

  13. A General Chemistry Laboratory Course Designed for Student Discussion

    Science.gov (United States)

    Obenland, Carrie A.; Kincaid, Kristi; Hutchinson, John S.

    2014-01-01

    We report a study of the general chemistry laboratory course at one university over four years. We found that when taught as a traditional laboratory course, lab experiences do not encourage students to deepen their understanding of chemical concepts. Although the lab instructor emphasized that the lab experiences were designed to enhance…

  14. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  15. Recommended reactor coolant water chemistry requirements for WWER-1000 units with 235U higher enriched fuel

    International Nuclear Information System (INIS)

    Dobrevski, I.; Zaharieva, N.

    2011-01-01

    well as recommended reactor coolant water chemistry requirements for WWER-1000 Units with 235 U higher enriched fuel are presented

  16. Metamodels for Computer-Based Engineering Design: Survey and Recommendations

    Science.gov (United States)

    Simpson, Timothy W.; Peplinski, Jesse; Koch, Patrick N.; Allen, Janet K.

    1997-01-01

    The use of statistical techniques to build approximations of expensive computer analysis codes pervades much of todays engineering design. These statistical approximations, or metamodels, are used to replace the actual expensive computer analyses, facilitating multidisciplinary, multiobjective optimization and concept exploration. In this paper we review several of these techniques including design of experiments, response surface methodology, Taguchi methods, neural networks, inductive learning, and kriging. We survey their existing application in engineering design and then address the dangers of applying traditional statistical techniques to approximate deterministic computer analysis codes. We conclude with recommendations for the appropriate use of statistical approximation techniques in given situations and how common pitfalls can be avoided.

  17. Editorial: in silico drug design and medicinal chemistry).

    Science.gov (United States)

    Singla, Rajeev K

    2015-01-01

    Medicinal chemistry is not limited to molecules, their structures and design but also highly cohesive to pharmacological activities. The potency of a molecule varies by its structure. Hence structural activity relationship is the sub-branch which deals with the estimation of ability of a molecule in depicting any pharmacological activity. In silico drug design is a novel technique which is employed in designing a molecule by using computer aided software’s and bringing a superior and potent molecule. In recent years, in silico drug design has been merged with medicinal chemistry especially by the techniques like ligand based strategy to isolate the required structures. By such strategic techniques, there are high chances of delivering high throughput screening which involves of screening large number of molecules in a very less time. Involvement of such techniques would be a boon for development of new drug entity as it can aid in development of newer, safe, effective and potent drug molecules. Hence, the present issue is aimed to emphasize the cohesion between in silico drug design and it significance in medicinal chemistry. The articles which would be published will mainly focus on the role of in silico drug design techniques in the development of molecules to target various disease and disorders. Molecules can from natural/ synthetic/semi synthetic origin. Articles will be a treasure box consisting of employment of computational methods for unprecedented molecules. The issue will be sure an endorsement for international readership and researchers.

  18. Water chemistry of Atucha II PHWVR. Design concepts and evolution

    International Nuclear Information System (INIS)

    Chocron, Mauricio; Rodriguez, Ivanna; Duca, Jorge; Fernandez, Ricardo; Rico, Jorge

    2007-01-01

    Full text: Atucha II is a pressurized heavy water vessel reactor designed by Siemens-KWU, currently part of AREVA NP, of 745 MWe and similar to Atucha I, which has been in operation over 25 years. The primary heat transport system (PHTS) is composed by vertical channels (277-313 C degrees) that allocate the fuel elements while the moderator circuit is composed by a partially separated circuit (142-173 C degrees). The moderation power is transferred to the feedwater through the moderator heat exchangers (HX). These HXs operate as the last, high pressure water-steam cycle heaters as well. Materials (with exception of fuel channels and fuel sheaths which are made of zirconium alloys) are all austenitic steels while cobalt containing alloys have been all replaced at the design stage. Steam generator and moderator HX tubing are Alloy 800 made. The core is operated without boron except with the first fresh nucleus. The secondary circuit or Balance of plant (BOP) is similar in conception to that of a PWR but the moderator HXs. It is entirely built of ferrous alloys, has a feedwater-deaerator tank and moisture separator. The energy sink is the Rio de la Plata River. The Reactors Chemistry Department, Chemistry Division, National Atomic Energy Commission, in its character of R and D institution has been committed by CNA II-N.A.S.A Project to prepare the water chemistry specifications, water chemistry engineering and manuals, considering the type of reactor, design and construction aspects and operation characteristics, taking into account the current state-of-the art and worldwide standards. This includes conceptual aspects and implementation and operative aspects as well. This documentation will be released after a designer's review as it has been stated in the respective agreement. Respecting the confidentiality agreement between CNEA and NASA and the confidentiality regarding handling original documentation provided by the designer, it is considered illustrative to

  19. Research and Design of a Grid Based Electronic Commerce Recommendation System

    OpenAIRE

    Liang, Yueling; Nie, Guihua

    2010-01-01

    Current electronic commerce recommendation system is designed for single electronic commerce website and current recommendation technologies have obvious deficiencies Centralized recommendation systems can not resolve the contradiction between high recommendation quality and timely response, as well as that between limited recommendation range and ever rich information on the web. Distributed recommendation systems are expected to improve the recommendation quality while maintaining high perf...

  20. Recommended revisions to nuclear regulatory commission seismic design criteria

    International Nuclear Information System (INIS)

    Coats, D.W.

    1981-01-01

    Task Action Plan (TAP) A-40 was developed by consolidating specific technical assistance studies initiated to identify and quantify the conservatism inherent in the seismic design sequence of current NRC criteria. Task 10 of TAP A-40 provided a technical review of the results of the other nine engineering and seismological tasks in TAP A-40 and recommended changes to the existing NRC criteria based on this review. We used the team approach to accomplish the objectives of Task 10 in an efficient manner and to provide the best technical product possible within the limited time available. The team consisted of a core group of Lawrence Livermore National Laboratory personnel and selected consultants. The recommendations summarized in this paper were not based solely on the results of the tasks in TAP A-40 but went far beyond that data base to encompass all available and appropriate literature. Some recommendations are based on the expertise of core members and consultants that stem from unpublished data, research, and experience. Copies of the pertinent sections of the Standard Review Plan (SRP) and Regulatory Guides as well as the reports developed under TAP A-40 were provided to the participants. These reports, other available engineering literature, and the experience of the consultants and core group provided technical basis for the recommendations. (orig./HP)

  1. Recommendations for the Design of Serious Games in Neurodegenerative Diseases.

    Science.gov (United States)

    Ben-Sadoun, Grégory; Manera, Valeria; Alvarez, Julian; Sacco, Guillaume; Robert, Philippe

    2018-01-01

    The use of Serious Games (SG) in the health domain is expanding. In the field of Neurodegenerative Diseases (ND) such as Alzheimer's Disease, SG are currently employed to provide alternative solutions for patients' treatment, stimulation, and rehabilitation. The design of SG for people with ND implies collaborations between professionals in ND and professionals in SG design. As the field is quite young, professionals specialized in both ND and SG are still rare, and recommendations for the design of SG for people with ND are still missing. This perspective paper aims to provide recommendations in terms of ergonomic choices for the design of SG aiming at stimulating people with ND, starting from the existing SG already tested in this population: "MINWii", "Kitchen and Cooking", and "X-Torp". We propose to rely on nine ergonomic criteria: eight ergonomic criteria inspired by works in the domain of office automation: Compatibility, Guidance, Workload, Adaptability, Consistency, Significance of codes, Explicit control and Error management; and one ergonomic criterion related to videogame: the game rules. Perspectives derived from this proposal are also discussed.

  2. Recommendations for the Design of Serious Games in Neurodegenerative Diseases

    Directory of Open Access Journals (Sweden)

    Grégory Ben-Sadoun

    2018-02-01

    Full Text Available The use of Serious Games (SG in the health domain is expanding. In the field of Neurodegenerative Diseases (ND such as Alzheimer’s Disease, SG are currently employed to provide alternative solutions for patients’ treatment, stimulation, and rehabilitation. The design of SG for people with ND implies collaborations between professionals in ND and professionals in SG design. As the field is quite young, professionals specialized in both ND and SG are still rare, and recommendations for the design of SG for people with ND are still missing. This perspective paper aims to provide recommendations in terms of ergonomic choices for the design of SG aiming at stimulating people with ND, starting from the existing SG already tested in this population: “MINWii”, “Kitchen and Cooking”, and “X-Torp”. We propose to rely on nine ergonomic criteria: eight ergonomic criteria inspired by works in the domain of office automation: Compatibility, Guidance, Workload, Adaptability, Consistency, Significance of codes, Explicit control and Error management; and one ergonomic criterion related to videogame: the game rules. Perspectives derived from this proposal are also discussed.

  3. Designing appropriate complementary feeding recommendations: tools for programmatic action.

    Science.gov (United States)

    Daelmans, Bernadette; Ferguson, Elaine; Lutter, Chessa K; Singh, Neha; Pachón, Helena; Creed-Kanashiro, Hilary; Woldt, Monica; Mangasaryan, Nuné; Cheung, Edith; Mir, Roger; Pareja, Rossina; Briend, André

    2013-09-01

    Suboptimal complementary feeding practices contribute to a rapid increase in the prevalence of stunting in young children from age 6 months. The design of effective programmes to improve infant and young child feeding requires a sound understanding of the local situation and a systematic process for prioritizing interventions, integrating them into existing delivery platforms and monitoring their implementation and impact. The identification of adequate food-based feeding recommendations that respect locally available foods and address gaps in nutrient availability is particularly challenging. We describe two tools that are now available to strengthen infant and young child-feeding programming at national and subnational levels. ProPAN is a set of research tools that guide users through a step-by-step process for identifying problems related to young child nutrition; defining the context in which these problems occur; formulating, testing, and selecting behaviour-change recommendations and nutritional recipes; developing the interventions to promote them; and designing a monitoring and evaluation system to measure progress towards intervention goals. Optifood is a computer-based platform based on linear programming analysis to develop nutrient-adequate feeding recommendations at lowest cost, based on locally available foods with the addition of fortified products or supplements when needed, or best recommendations when the latter are not available. The tools complement each other and a case study from Peru illustrates how they have been used. The readiness of both instruments will enable partners to invest in capacity development for their use in countries and strengthen programmes to address infant and young child feeding and prevent malnutrition. © 2013 John Wiley & Sons Ltd.

  4. Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

    Science.gov (United States)

    Kenny, Peter W; Montanari, Carlos A; Prokopczyk, Igor M; Ribeiro, Jean F R; Sartori, Geraldo Rodrigues

    2016-05-12

    Hydrogen bonding is discussed in the context of medicinal chemistry design. Minimized molecular electrostatic potential (Vmin) is shown to be an effective predictor of hydrogen bond basicity (pKBHX), and predictive models are presented for a number of hydrogen bond acceptor types relevant to medicinal chemistry. The problems posed by the presence of nonequivalent hydrogen bond acceptor sites in molecular structures are addressed by using nonlinear regression to fit measured pKBHX to calculated Vmin. Predictions are made for hydrogen bond basicity of fluorine in situations where relevant experimental measurements are not available. It is shown how predicted pKBHX can be used to provide insight into the nature of bioisosterism and to profile heterocycles. Examples of pKBHX prediction for molecular structures with multiple, nonequivalent hydrogen bond acceptors are presented.

  5. The Role of Water Chemistry in Marine Aquarium Design: A Model System for a General Chemistry Class

    Science.gov (United States)

    Keaffaber, Jeffrey J.; Palma, Ramiro; Williams, Kathryn R.

    2008-01-01

    Water chemistry is central to aquarium design, and it provides many potential applications for discussion in undergraduate chemistry and engineering courses. Marine aquaria and their life support systems feature many chemical processes. A life support system consists of the entire recirculation system, as well as the habitat tank and all ancillary…

  6. DNV launches new recommended practice for design of subsea equipment

    Energy Technology Data Exchange (ETDEWEB)

    Toerstad, Elisabeth Heggelund

    2005-07-01

    The application of modern corrosion-resistant alloys to subsea pipelines and components has led to serious problems of hydrogen embrittlement from the corrosion protection system, resulting in cracks and leaks. The most commonly known incidents of this kind are the duplex hubs on Voinhaven, UK and Garn West and the 13% Cr pipelines on Tune and Aasgard, all at the Norwegian shelf. Understanding the nature of this problem has called for a broad multidisciplinary approach, involving expertise on corrosion and metallurgy as well as structural design and integrity. Competence in probabilistic analyses and risk assessments has also been necessary in order to set acceptance criteria and evaluate probability of failure for existing installations. (Det Norske Veritas (DNV) is now about to issues a Recommended Practise (RP) for design of subsea equipment in duplex steels under Cathodic Protection. The RP is based on knowledge gained through failure investigations, qualification pr grams and research work, and a broad industry consortium has contributed with experience and knowledge. Hydrogen Induced Stress Cracking (HISC) due to hydrogen from the Cathodic Protection (CP) system has been one of the most frequent and costly failure modes for subsea equipment and pipelines in the North Sea over the recent years. Today, the international oil business is looking to Norway for assistance in establishing detailed knowledge about and preventive measures against this failure mode. A significant research work is currently being carried out jointly by DNV, SINTEF and TWI (The Welding Institute), supported by a broad industry consortium - aiming at a better understanding of the HISC (Hydrogen Induced Stress Cracking) mechanism and establishment of test methods which reflect the sensitivity to cracking. DNV has also established a Recommended Practice, which will be issued late 2005. It reflects the experience gained from the failure examinations, fitness for purpose evaluations, research

  7. Hospital information system: reusability, designing, modelling, recommendations for implementing.

    Science.gov (United States)

    Huet, B

    1998-01-01

    The aims of this paper are to precise some essential conditions for building reuse models for hospital information systems (HIS) and to present an application for hospital clinical laboratories. Reusability is a general trend in software, however reuse can involve a more or less part of design, classes, programs; consequently, a project involving reusability must be precisely defined. In the introduction it is seen trends in software, the stakes of reuse models for HIS and the special use case constituted with a HIS. The main three parts of this paper are: 1) Designing a reuse model (which objects are common to several information systems?) 2) A reuse model for hospital clinical laboratories (a genspec object model is presented for all laboratories: biochemistry, bacteriology, parasitology, pharmacology, ...) 3) Recommendations for generating plug-compatible software components (a reuse model can be implemented as a framework, concrete factors that increase reusability are presented). In conclusion reusability is a subtle exercise of which project must be previously and carefully defined.

  8. Using Mathematical Modeling and Set-Based Design Principles to Recommend an Existing CVL Design

    Science.gov (United States)

    2017-09-01

    MATHEMATICAL MODELING AND SET-BASED DESIGN PRINCIPLES TO RECOMMEND AN EXISTING CVL DESIGN by William H. Ehlies September 2017 Thesis Advisor...Office of Management and Budget, Paperwork Reduction Project (0704-0188) Washington, DC 20503. 1. AGENCY USE ONLY (Leave blank) 2. REPORT DATE...September 2017 3. REPORT TYPE AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE USING MATHEMATICAL MODELING AND SET-BASED DESIGN PRINCIPLES

  9. NASA Education Recommendation Report - Education Design Team 2011

    Science.gov (United States)

    Pengra, Trish; Stofan, James

    2011-01-01

    NASA people are passionate about their work. NASA's missions are exciting to learners of all ages. And since its creation in 1958, NASA's people have been passionate about sharing their inspiring discoveries, research and exploration with students and educators. In May 2010, NASA administration chartered an Education Design Team composed of 12 members chosen from the Office of Education, NASA's Mission Directorates and Centers for their depth of knowledge and education expertise, and directed them to evaluate the Agency's program in the context of current trends in education. By improving NASA's educational offerings, he was confident that the Agency can play a leading role in inspiring student interest in science, technology, engineering and mathematics (STEM) as few other organizations can. Through its unique workforce, facilities, research and innovations, NASA can expand its efforts to engage underserved and underrepresented communities in science and mathematics. Through the Agency's STEM education efforts and science and exploration missions, NASA can help the United States successfully compete, prosper and be secure in the 21st century global community. After several months of intense effort, including meeting with education experts; reviewing Administration policies, congressional direction and education research; and seeking input from those passionate about education at NASA, the Education Design Team made six recommendations to improve the impact of NASA's Education Program: (1) Focus the NASA Education Program to improve its impact on areas of greatest national need (2) Identify and strategically manage NASA Education partnerships (3) Participate in National and State STEM Education policy discussions (4) Establish a structure to allow the Office of Education, Centers and Mission Directorates to implement a strategically integrated portfolio (5) Expand the charter of the Education Coordinating Committee to enable deliberate Education Program design (6

  10. Preliminary Analysis of Assessment Instrument Design to Reveal Science Generic Skill and Chemistry Literacy

    Science.gov (United States)

    Sumarni, Woro; Sudarmin; Supartono, Wiyanto

    2016-01-01

    The purpose of this research is to design assessment instrument to evaluate science generic skill (SGS) achievement and chemistry literacy in ethnoscience-integrated chemistry learning. The steps of tool designing refers to Plomp models including 1) Investigation Phase (Prelimenary Investigation); 2) Designing Phase (Design); 3)…

  11. Developing 21st Century Chemistry Learning through Designing Digital Games

    Science.gov (United States)

    Lay, Ah-Nam; Osman, Kamisah

    2018-01-01

    The purpose of this study is to investigate the effect of Malaysian "Kimia" (Chemistry) Digital Games (MyKimDG) module on students' achievement and motivation in chemistry as well as 21st century skills. Chemistry education in Malaysia should put greater emphasis on combination of cognitive, sociocultural and motivational aspects to…

  12. Designing Chemistry Practice Exams for Enhanced Benefits: An Instrument for Comparing Performance and Mental Effort Measures

    Science.gov (United States)

    Knaus, Karen J.; Murphy, Kristen L.; Holme, Thomas A.

    2009-01-01

    The design and use of a chemistry practice exam instrument that includes a measure for student mental effort is described in this paper. Use of such an instrument can beneficial to chemistry students and chemistry educators as well as chemical education researchers from both a content and cognitive science perspective. The method for calculating…

  13. Design, Properties and Recent Application of Macrocycles in Medicinal Chemistry.

    Science.gov (United States)

    Ermert, Philipp

    2017-10-25

    Macrocyclic compounds have recently received increasing attention in drug discovery as these compounds offer the potential to modulate difficult targets and to access novel chemotypes. Approaches towards libraries of macrocyclic compounds based on modular organic synthesis and applications of these technology platforms to find and improve biologically active compounds are introduced in this minireview. Alternatively, lead compounds may be obtained by truncation and modification of macrocyclic natural products. Selected medicinal chemistry programs are discussed, illustrating a macrocyclization approach toward ligands with improved properties. The design of such ligands is often informed by X-ray crystal structures of protein-ligand complexes. Efforts to understand cellular permeability and oral bioavailability of cyclic peptides and non-peptidic macrocycles are summarized.

  14. Technology, recommendation and design: on being a 'Paternalistic philosopher'

    NARCIS (Netherlands)

    Wong, Pak-Hang

    2013-01-01

    Philosophers have talked to each other about moral issues concerning technology, but few of them have talked about issues of technology and the good life, and even fewer have talked about technology and the good life with the public in the form of recommendation. In effect, recommendations for

  15. Design criteria of primary coolant chemistry in SMART-P

    International Nuclear Information System (INIS)

    Choi, Byung Seon; Kim, Ah Young; Kim, Seong Hoon; Yoon, Ju Hyeon; Zee, Sung Qunn

    2005-01-01

    SMART-P differs significantly from commercially designed PWRs. Materials inventories used in SMART-P differ from that at PWRs. All surfaces of the primary circuit with the primary coolant are either made from or plated with stainless steel. The material of steam generator (SG) is also different from that of the standard material of the commercially operating PWRs: titanium alloy for the steam generator tubes. Also, SMART-P primary coolant technology differs from that in PWRs: ammonia is used as a pH raising agent and hydrogen formed due to radiolytic processes is kept in specific range by ammonia dosing. Nevertheless, main objectives of the SMART-P primary coolant are the same as at PWRs: to assure primary system pressure boundary integrity, fuel cladding integrity and to minimize out-of-core radiation buildup. The objective of this work is to introduce the design criteria for the primary water chemistry for SMART-P from the viewpoint of the system characteristics and the chemical design concept

  16. Using Green Chemistry and Engineering Principles to Design ...

    Science.gov (United States)

    The concepts of green chemistry and engineering (GC&E) have been promoted as an effective qualitative framework for developing more sustainable chemical syntheses, processes, and material management techniques. This has been demonstrated by many theoretical and practical cases. In addition, there are several approaches and frameworks focused on demonstrating that improvements were achieved through GC&E technologies. However, the application of these principles is not always straightforward. We propose using systematic frameworks and tools that help practitioners when deciding which principles can be applied, the levels of implementation, prospective of obtaining simultaneous improvements in all sustainability aspects, and ways to deal with multiobjective problems. Therefore, this contribution aims to provide a systematic combination of three different and complementary design tools for assisting designers in evaluating, developing, and improving chemical manufacturing and material management systems under GC&E perspectives. The WAR Algorithm, GREENSCOPE, and SustainPro were employed for this synergistic approach of incorporating sustainability at early stages of process development. In this demonstration, simulated ammonia production is used as a case study to illustrate this advancement. Results show how to identify process design areas for improvements, key factors, multi-criteria decision-making solutions, and optimal tradeoffs. Finally, conclusions were pre

  17. The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database.

    Science.gov (United States)

    Hall, Richard J; Murray, Christopher W; Verdonk, Marcel L

    2017-07-27

    The hit validation stage of a fragment-based drug discovery campaign involves probing the SAR around one or more fragment hits. This often requires a search for similar compounds in a corporate collection or from commercial suppliers. The Fragment Network is a graph database that allows a user to efficiently search chemical space around a compound of interest. The result set is chemically intuitive, naturally grouped by substitution pattern and meaningfully sorted according to the number of observations of each transformation in medicinal chemistry databases. This paper describes the algorithms used to construct and search the Fragment Network and provides examples of how it may be used in a drug discovery context.

  18. Design of an electronic performance support system for food chemistry laboratory classes

    NARCIS (Netherlands)

    Kolk, van der J.

    2013-01-01

    The design oriented research described in this thesis aims at designing an realizing an electronic performance support system for food chemistry laboratory classes (labEPSS). Four design goals related to food chemistry laboratory classes were identified. Firstly, labEPSS should avoid extraneous

  19. Exposure diversity as a design principle for recommender systems

    NARCIS (Netherlands)

    Heidelberger, N.; Karpinnen, K.; D'Acunto, L.

    2018-01-01

    Personalized recommendations in search engines, social media and also in more traditional media increasingly raise concerns over potentially negative consequences for diversity and the quality of public discourse. The algorithmic filtering and adaption of online content to personal preferences and

  20. Presidential Green Chemistry Challenge: 2014 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2014 award winner, The Solberg Company, replaced fluorinated surfactants in its firefighting foam concentrates with a blend of non-fluorinated surfactants and sugars.

  1. Presidential Green Chemistry Challenge: 2005 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2005 award winner, Archer Daniels Midland, developed Archer RC, a nonvolatile, biobased, reactive coalescent that replaces volatile organic coalescents in architectural latex paints.

  2. Presidential Green Chemistry Challenge: 2010 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2010 award winner, Clarke, developed Natular, a plaster matrix that encapsulates the pesticide spinosad, slowly releasing it into water and effectively controlling mosquito larvae.

  3. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te 2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF 4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na 3 CrF 6 and Na 5 Cr 3 F 14 , were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li 2 BeF 4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe 2+ and Cr 3+ and the determination of the U 3+ /U 4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF 4 --NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF 4 --NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  4. Impact of chemistry on Standard High Solids Vessel Design mixing

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-03-02

    The plan for resolving technical issues regarding mixing performance within vessels of the Hanford Waste Treatment Plant Pretreatment Facility directs a chemical impact study to be performed. The vessels involved are those that will process higher (e.g., 5 wt % or more) concentrations of solids. The mixing equipment design for these vessels includes both pulse jet mixers (PJM) and air spargers. This study assesses the impact of feed chemistry on the effectiveness of PJM mixing in the Standard High Solids Vessel Design (SHSVD). The overall purpose of this study is to complement the Properties that Matter document in helping to establish an acceptable physical simulant for full-scale testing. The specific objectives for this study are (1) to identify the relevant properties and behavior of the in-process tank waste that control the performance of the system being tested, (2) to assess the solubility limits of key components that are likely to precipitate or crystallize due to PJM and sparger interaction with the waste feeds, (3) to evaluate the impact of waste chemistry on rheology and agglomeration, (4) to assess the impact of temperature on rheology and agglomeration, (5) to assess the impact of organic compounds on PJM mixing, and (6) to provide the technical basis for using a physical-rheological simulant rather than a physical-rheological-chemical simulant for full-scale vessel testing. Among the conclusions reached are the following: The primary impact of precipitation or crystallization of salts due to interactions between PJMs or spargers and waste feeds is to increase the insoluble solids concentration in the slurries, which will increase the slurry yield stress. Slurry yield stress is a function of pH, ionic strength, insoluble solids concentration, and particle size. Ionic strength and chemical composition can affect particle size. Changes in temperature can affect SHSVD mixing through its effect on properties such as viscosity, yield stress, solubility

  5. Recommended Practices for the Safe Design and Operation of Flywheels

    Energy Technology Data Exchange (ETDEWEB)

    Bender, Donald Arthur [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-12-01

    Flywheel energy storage systems are in use globally in increasing numbers . No codes pertaining specifically to flywheel energy storage exist. A number of industrial incidents have occurred. This protocol recommends a technical basis for safe flywheel de sign and operation for consideration by flywheel developers, users of flywheel systems and standards setting organizations.

  6. Designing an undergraduate laboratory course in general chemistry

    Directory of Open Access Journals (Sweden)

    Vianna José F.

    1999-01-01

    Full Text Available From an analysis of a learning model based on the theory of information processing four hypothesis were developed for improving the design of laboratory courses. Three of these hypotheses concerned specific procedures to minimise the load on students' working memories (or working spaces and the fourth hypothesis was concerned with the value of mini-projects in enhancing meaningful learning of the knowledge and skills underpinning the set experiments. A three-year study of a first year undergraduate chemistry laboratory course at a Scottish university has been carried out to test these four hypotheses. This paper reports the results of the study relevant to the three hypotheses about the burden on students' working spaces. It was predicted from the learning model that the load on students working space should be reduced by appropriate changes to the written instructions and the laboratory organisation and by the introduction of prelab-work and prelab-training in laboratory techniques. It was concluded from research conducted over the three years period that all these hypothesised changes were effective both in reducing the load on students' working spaces and in improving their attitudes to the laboratory course.

  7. Report and recommendations on the requirements for postgraduate training in radiopharmacy and radiopharmaceutical chemistry 1989

    International Nuclear Information System (INIS)

    Cox, P.H.; Coenen, H.H.; Deckart, H.; Feuger, G.F.; Hesslewood, S.R.; Kristensen, K.; Komarek, P.; Meyer, G.J.; Stocklin, G.; Schubinger, P.A.

    1990-01-01

    The basic information concerning the status of postgraduate training in the radiopharmaceutical sciences contained in this report was compiled from the proceedings of a Workshop on Postgraduate Training in Radiopharmacy organised by the Committee on Radiopharameuticals [EANM Task Group] in Rotterdam in April 1989 under the auspices of The Council of Europe. The implications of this information were discussed at a meeting of the Committee in Strasbourg in August 1989 together with representatives from a number of European radiochemistry groups. From these discussions it was concluded that there was a strong case to propose standards for minimal training requirements for radiopharmacy and radiochemistry which would be applicable to all European countries. The Committee also found it desirable that the EANM should use its influence to obtain formal recognition of the professional responsibilities of the radiopharmaceutical chemist with respect to the production and control of short-lived, cyclotron-produced radiopharmaceuticals. This report gives an inventory of the current situation with regard to the training in radiopharmacy and radiopharmaceutical chemistry which is available in Europe and makes proposals for the establishment of a European postgraduate training programme. The programme is based upon a number of theoretical and practical teaching modules which can be adapted to meet the training requirements for pharmacists, chemists, physicians and other graduate professions. (orig.)

  8. Monitoring program design recommendations for uranium mining communities

    International Nuclear Information System (INIS)

    1978-10-01

    Environmental radiological monitoring requirements and their rationale have been developed for operating uranium mine/mill sites including the pre-operational phase, and for non-operating tailings areas, in order to assess the radiological impact on the environment and follow long-term trends. These recommendations have been based on a review of regulatory standards, sources and nature of releases from mines, mills and tailings, and environmental pathway analysis. Media and measurements considered in the routine on-going programs include airborne radon, airborne particulates, external radiation, terrestrial biota, surface water, drinking water, ground water, fish and sediment. Program implementation guides are provided. An overview of sampling and field technique and specific recommendations have been made. (auth)

  9. Presidential Green Chemistry Challenge: 2003 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2003 award winner, Shaw Industries, developed EcoWorx carpet tiles with a backing that uses less toxic materials. The carpet tile fiber and backing are readily separated for recycling.

  10. Presidential Green Chemistry Challenge: 2011 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2011 award winner, Sherwin-Williams, developed water-based acrylic alkyd paints with VOCs that can be made from recycled soda bottle (PET), acrylics, and soybean oil.

  11. Presidential Green Chemistry Challenge: 2006 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2006 award winner, S.C. Johnson & Son, developed Greenlist, a rating system for environmental and health effects of ingredients. SC Johnson uses it to reformulate many of its products.

  12. Presidential Green Chemistry Challenge: 2008 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2008 award winner, Dow AgroSciences, used an artificial neural network to discover spinetoram, an improved spinosad biopesticide to replace organophosphates for key pests of fruit trees.

  13. Presidential Green Chemistry Challenge: 2013 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2013 award winner, Cargill, Inc., developed a vegetable-oil-based transformer fluid that is much less flammable, provides superior performance, is less toxic, and has a substantially lower carbon footprint.

  14. Presidential Green Chemistry Challenge: 1997 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 1997 award winner, Albright & Wilson Americas, discovered that tetrakis(hydroxymethyl)phosphonium sulfate, THPS, is an effective, safer biocide for use in industrial water systems.

  15. Presidential Green Chemistry Challenge: 1999 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 1999 award winner, Dow AgroSciences, developed spinosad, a highly selective, low-toxicity, nonpersistant insecticide made by a soil microorganism. It controls many chewing insect pests.

  16. Presidential Green Chemistry Challenge: 2002 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2002 award winner, Chemical Specialties, developed an alkaline copper quaternary wood preservative to replace chromated copper arsenate preservative phased out due to risk to children.

  17. Presidential Green Chemistry Challenge: 1996 Designing Greener Chemicals Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 1996 award winner, Rohm and Haas, developed Sea-Nine, a marine antifoulant to control plants and animals on ship hulls. Sea-Nine replaces persistent, toxic organotin antifoulants.

  18. Recommendations for fatigue design of welded joints and components

    CERN Document Server

    Hobbacher, A F

    2016-01-01

    This book provides a basis for the design and analysis of welded components that are subjected to fluctuating forces, to avoid failure by fatigue. It is also a valuable resource for those on boards or commissions who are establishing fatigue design codes. For maximum benefit, readers should already have a working knowledge of the basics of fatigue and fracture mechanics. The purpose of designing a structure taking into consideration the limit state for fatigue damage is to ensure that the performance is satisfactory during the design life and that the survival probability is acceptable. The latter is achieved by the use of appropriate partial safety factors. This document has been prepared as the result of an initiative by Commissions XIII and XV of the International Institute of Welding (IIW).

  19. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

  20. Water chemistry control to meet the advanced design and operation of light water reactors

    International Nuclear Information System (INIS)

    Shirai, Hiroshi; Uchida, Shunsuke; Naitoh, Masanori; Okada, Hidetoshi; Sato, Masatoshi

    2014-01-01

    Water chemistry control is one of the key technologies to establish safe and reliable operation of nuclear power plants. The road maps on R and D plans for water chemistry of nuclear power systems in Japan have been proposed along with promotion of R and D related water chemistry improvement for the advanced application of light water reactors (LWRs). The technical trends were divided into four categories, dose rate reduction, structural integrity, fuel integrity and radioactive waste reduction, and latest technical break through for each category was shown for the advanced application of LWRs. At the same time, the technical break through and the latest movements for regulation of water chemistry were introduced for each of major organizations related to nuclear engineering in the world. The conclusions were summarized as follows; 1. Water chemistry improvements might contribute to achieve the advanced application of LWRs, while water chemistry should be often changed to achieve the advanced application of LWRs. 2. Only one solution for water chemistry control was not obtained for achieving the advanced application of LWRs, but miscellaneous solutions were possible for achieving one. Optimal water chemistry control was desired for having the good practices for satisfying multi-targets at the same time and it was much affected by the plant unique systems and operational history. 3. That meant it was difficult to determine water chemistry regulation targets for achieving application of LWRs but it was necessary to prepare suitable guideline for good achievement of application of LWRs. That meant the guideline should be recommendation for good practice in the plant. 4. The water chemistry guide line should be modified along with progress of plant operation and water chemistry and related technologies. (author)

  1. 40 CFR 240.203-2 - Recommended procedures: Design.

    Science.gov (United States)

    2010-07-01

    ..., easy to maintain, and consistent with the land use of the area. (d) Employee convenience facilities and... operating unit malfunctions. (j) Sampling capability should be designed into the facility so that each process stream can be sampled, and the utilities required to do so should be close at hand. The sampling...

  2. Design Recommendations for Self-Paced Online Faculty Development Courses

    Science.gov (United States)

    Rizzuto, Melissa

    2017-01-01

    An increased need for self-paced, online professional development opportunities in higher education has emerged from a variety of factors including dispersed geographic locations of faculty, full teaching loads, and institutional evaluation requirements. This article is a report of the examination of the design and evaluation of a self-paced…

  3. Materials chemistry approach to anion-sensor design

    Czech Academy of Sciences Publication Activity Database

    Anzenbacher Jr., P.; Jursiková, K.; Aldakov, D.; Marquez, M.; Pohl, Radek

    2004-01-01

    Roč. 60, č. 49 (2004), s. 11163-11168 ISSN 0040-4020 Institutional research plan: CEZ:AV0Z4055905 Keywords : conductive polymer * anion sensing * polythiophene Subject RIV: CC - Organic Chemistry Impact factor: 2.643, year: 2004

  4. Guidelines for sustainable building design: Recommendations from the Presidio of San Francisco energy efficiency design charrette

    Energy Technology Data Exchange (ETDEWEB)

    Brown, K.; Sartor, D.; Greenberg, S. [and others

    1996-05-01

    In 1994, the Bay Chapter of the Association of Energy Engineers{reg_sign} organized a two-day design charrette for energy-efficient redevelopment of buildings by the National Park Services (NPS) at the Presidio of San Francisco. This event brought together engineers, researchers, architects, government officials, and students in a participatory environment to apply their experience to create guidelines for the sustainable redesign of Presidio buildings. The venue for the charrette was a representative barracks building located at the Main Post of the Presidio. Examination of this building allowed for the development of design recommendations, both for the building and for the remainder of the facilities. The charrette was organized into a committee structure consisting of: steering, measurement and monitoring, modeling, building envelope and historic preservation (architectural), HVAC and controls, lighting, and presentation. Prior to the charrette itself, the modeling and measurement/monitoring committees developed substantial baseline data for the other committees during the charrette. An integrated design approach was initiated through interaction between the committees during the charrette. Later, committee reports were cross-referenced to emphasize whole building design and systems integration.

  5. Tabletop Games: Platforms, Experimental Games and Design Recommendations

    Science.gov (United States)

    Haller, Michael; Forlines, Clifton; Koeffel, Christina; Leitner, Jakob; Shen, Chia

    While the last decade has seen massive improvements in not only the rendering quality, but also the overall performance of console and desktop video games, these improvements have not necessarily led to a greater population of video game players. In addition to continuing these improvements, the video game industry is also constantly searching for new ways to convert non-players into dedicated gamers. Despite the growing popularity of computer-based video games, people still love to play traditional board games, such as Risk, Monopoly, and Trivial Pursuit. Both video and board games have their strengths and weaknesses, and an intriguing conclusion is to merge both worlds. We believe that a tabletop form-factor provides an ideal interface for digital board games. The design and implementation of tabletop games will be influenced by the hardware platforms, form factors, sensing technologies, as well as input techniques and devices that are available and chosen. This chapter is divided into three major sections. In the first section, we describe the most recent tabletop hardware technologies that have been used by tabletop researchers and practitioners. In the second section, we discuss a set of experimental tabletop games. The third section presents ten evaluation heuristics for tabletop game design.

  6. Combinatorial computational chemistry approach to the design of metal catalysts for deNOx

    International Nuclear Information System (INIS)

    Endou, Akira; Jung, Changho; Kusagaya, Tomonori; Kubo, Momoji; Selvam, Parasuraman; Miyamoto, Akira

    2004-01-01

    Combinatorial chemistry is an efficient technique for the synthesis and screening of a large number of compounds. Recently, we introduced the combinatorial approach to computational chemistry for catalyst design and proposed a new method called ''combinatorial computational chemistry''. In the present study, we have applied this combinatorial computational chemistry approach to the design of precious metal catalysts for deNO x . As the first step of the screening of the metal catalysts, we studied Rh, Pd, Ag, Ir, Pt, and Au clusters regarding the adsorption properties towards NO molecule. It was demonstrated that the energetically most stable adsorption state of NO on Ir model cluster, which was irrespective of both the shape and number of atoms including the model clusters

  7. Chemometrics in analytical chemistry-part I: history, experimental design and data analysis tools.

    Science.gov (United States)

    Brereton, Richard G; Jansen, Jeroen; Lopes, João; Marini, Federico; Pomerantsev, Alexey; Rodionova, Oxana; Roger, Jean Michel; Walczak, Beata; Tauler, Romà

    2017-10-01

    Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.

  8. Application of Recommended Design Practices for Conceptual Nuclear Fusion Space Propulsion Systems

    Science.gov (United States)

    Williams, Craig H.

    2004-01-01

    An AIAA Special Project Report was recently produced by AIAA's Nuclear and Future Flight Propulsion Technical Committee and is currently in peer review. The Report provides recommended design practices for conceptual engineering studies of nuclear fusion space propulsion systems. Discussion and recommendations are made on key topics including design reference missions, degree of technological extrapolation and concomitant risk, thoroughness in calculating mass properties (nominal mass properties, weight-growth contingency and propellant margins, and specific impulse), and thoroughness in calculating power generation and usage (power-flow, power contingencies, specific power). The report represents a general consensus of the nuclear fusion space propulsion system conceptual design community and proposes 15 recommendations. This paper expands on the Report by providing specific examples illustrating how to apply each of the recommendations.

  9. New design architecture decisions on water chemistry support systems at new VVER plants

    International Nuclear Information System (INIS)

    Kumanina, V.E.; Yurmanova, A.V.

    2010-01-01

    Major goals of nuclear power plant design upgrading are reduction of cost and construction time with unconditional safety assurance. Main ways of further improvement of nuclear power plant design are as follows: review of the results of research engineering and development and of new technologies; harmonization with international codes and standards; justified liberalization of conservatism based on operating experience and use of improved design codes. Operational experience of Russian and foreign NPPs has shown that the designs of new NPPs could be improved by upgrading water chemistry support systems. Some new design solutions for water chemistry support systems are currently implemented at new WWER plants such as Bushehr, Kudankulam, Belene, Balakovo Units 5 and 6, AES-2006 project. The paper highlights the improvements of the following systems and processes: low temperature high pressure primary coolant clean-up system; primary system surface preconditioning during pre-start hot functional testing; steam generator blowdown cleanup system; secondary water chemistry; phosphate water chemistry in intermediate cooling circuits and other auxiliary systems; alternator cooling system water chemistry; steam generator cleanup and decontamination systems. (author)

  10. Peer Mentor Program for the General Chemistry Laboratory Designed to Improve Undergraduate STEM Retention

    Science.gov (United States)

    Damkaci, Fehmi; Braun, Timothy F.; Gublo, Kristin

    2017-01-01

    We describe the design and implementation of an undergraduate peer mentor program that can overlay an existing general chemistry laboratory and is designed to improve STEM student retention. For the first four freshman cohorts going through the program, year-to-year retention improved by a four-year average of 20% for students in peer-mentored…

  11. Designing and Incorporating Green Chemistry Courses at a Liberal Arts College to Increase Students' Awareness and Interdisciplinary Collaborative Work

    Science.gov (United States)

    Manchanayakage, Renuka

    2013-01-01

    Two green chemistry courses have been introduced into the liberal arts curriculum at Susquehanna University. Green chemistry was integrated into an existing course, Chemical Concepts, and offered as Green Chemical Concepts for nonscience majors. This course is designed to instill an appreciation for green chemistry in a large and diverse group of…

  12. ICT and UD: Preliminary Study for Recommendations to Design Accessible University Courses.

    Science.gov (United States)

    Pagliara, Silvio Marcello; Sánchez Utgé, Marta; De Anna, Lucia

    2017-01-01

    Starting from the Universal Design in the educational context principles, the experiences gained during the FIRB project "Net@ccessibility" and the high-education courses for teachers' specialization on special education, this research will focus on preliminary studies in order to define the recommendations for designing accessible university courses.

  13. Recommended revisions to Nuclear Regulatory Commission seismic design criteria. Technical report

    International Nuclear Information System (INIS)

    Coats, D.W.

    1980-05-01

    This report recommends changes in the Nuclear Regulatory Commission's (NRC's) criteria now used in the seismic design of nuclear power plants. Areas covered include ground motion, soil-structure interaction, structures, and equipment and components. Members of the Engineering Mechanics Section of the Nuclear Test Engineering Division at Lawrence Livermore Laboratory (LLL) generally agreed upon the recommendations, which are based on (1) reports developed under the NRC's Task Action Plan A-40, (2) other available engineering literature, and (3) recommendations of nationally recognized experts retained by LLL specifically for this task

  14. Microbeads and Engineering Design in Chemistry: No Small Educational Investigation

    Science.gov (United States)

    Hoffman, Adam; Turner, Ken

    2015-01-01

    A multipart laboratory activity introducing microbeads was created to meet engineering and engineering design practices consistent with new Next Generation Science Standards (NGSS). Microbeads are a current topic of concern as they have been found to cause adverse impacts in both marine and freshwater systems resulting in multiple states proposing…

  15. Didactical design based on sharing and jumping tasks for senior high school chemistry learning

    Science.gov (United States)

    Fatimah, I.; Hendayana, S.; Supriatna, A.

    2018-05-01

    The purpose of this research is to develop the didactical design of senior high school chemistry learning based on sharing and jumping tasks in shift equilibrium chemistry. Sharing tasks used to facilitate students slow learners with help by other students of fast learners so they engage in learning. While jumping tasks used to challenge fast learners students so they didn’t feel bored in learning. In developing the didactic design, teacher activity is not only to focus on students and learning materials but also on the relationship between students and learning materials. The results of the analysis teaching plan of shift equilibrium chemistry in attached Senior High School to Indonesia University of Education showed that the learning activities more focus on how the teacher teaches instead of how the process of students’ learning. The use of research method is didactical design research (DDR). Didactical design consisted of three steps i.e. (a) analysing didactical condition before learning, (b) analyzing metapedadidactical, and (c) analyzing retrospective. Data were collected by test, observations, interviews, documentation and recordings (audio and video).The result showed that the didactical design on shift equilibrium chemistry was valid.

  16. The role of reticular chemistry in the design of CO2 reduction catalysts

    Science.gov (United States)

    Diercks, Christian S.; Liu, Yuzhong; Cordova, Kyle E.; Yaghi, Omar M.

    2018-02-01

    The problem with current state-of-the-art catalysts for CO2 photo- or electroreduction is rooted in the notion that no single system can independently control, and thus optimize, the interplay between activity, selectivity and efficiency. At its core, reticular chemistry is recognized for its ability to control, with atomic precision, the chemical and structural features (activity and selectivity) as well as the output optoelectronic properties (efficiency) of porous, crystalline materials. The molecular building blocks that are in a reticular chemist's toolbox are chosen in such a way that the structures are rationally designed, framework chemistry is performed to integrate catalytically active components, and the manner in which these building blocks are connected endows the material with the desired optoelectronic properties. The fact that these aspects can be fine-tuned independently lends credence to the prospect of reticular chemistry contributing to the design of next-generation CO2 reduction catalysts.

  17. Designing multiple ligands - medicinal chemistry strategies and challenges.

    Science.gov (United States)

    Morphy, Richard; Rankovic, Zoran

    2009-01-01

    It has been widely recognised over the recent years that parallel modulation of multiple biological targets can be beneficial for treatment of diseases with complex etiologies such as cancer asthma, and psychiatric disease. In this article, current strategies for the generation of ligands with a specific multi-target profile (designed multiple ligands or DMLs) are described and a number of illustrative example are given. Designing multiple ligands is frequently a challenging endeavour for medicinal chemists, with the need to appropriately balance affinity for 2 or more targets whilst obtaining physicochemical and pharmacokinetic properties that are consistent with the administration of an oral drug. Given that the properties of DMLs are influenced to a large extent by the proteomic superfamily to which the targets belong and the lead generation strategy that is pursued, an early assessment of the feasibility of any given DML project is essential.

  18. Sustainable Practices in Medicinal Chemistry Part 2: Green by Design.

    Science.gov (United States)

    Aliagas, Ignacio; Berger, Raphaëlle; Goldberg, Kristin; Nishimura, Rachel T; Reilly, John; Richardson, Paul; Richter, Daniel; Sherer, Edward C; Sparling, Brian A; Bryan, Marian C

    2017-07-27

    With the development of ever-expanding synthetic methodologies, a medicinal chemist's toolkit continues to swell. However, with finite time and resources as well as a growing understanding of our field's environment impact, it is critical to refine what can be made to what should be made. This review seeks to highlight multiple cheminformatic approaches in drug discovery that can influence and triage design and execution impacting the likelihood of rapidly generating high-value molecules in a more sustainable manner. This strategy gives chemists the tools to design and refine vast libraries, stress "druglikeness", and rapidly identify SAR trends. Project success, i.e., identification of a clinical candidate, is then reached faster with fewer molecules with the farther-reaching ramification of using fewer resources and generating less waste, thereby helping "green" our field.

  19. Prevalence of Recommendations Made Within Dental Research Articles Using Uncontrolled Intervention or Observational Study Designs.

    Science.gov (United States)

    Wilson, M K; Chestnutt, I G

    2016-03-01

    Evidence to inform clinical practice is reliant on research carried out using appropriate study design. The objectives of this work were to (i) identify the prevalence of articles reporting on human studies using uncontrolled intervention or observational research designs published in peer-reviewed dental journals and (ii) determine the nature of recommendations made by these articles. Six peer-reviewed dental journals were selected. Issues published in January to June 2013 were examined and the types of articles published categorized. Following pre-defined inclusion/exclusion criteria, human studies classified as using uncontrolled intervention or observational research designs were subject to detailed review by two independent investigators, to examine if they presented clinical, policy or research recommendations and if these recommendations were supported by the data presented. 52.9% (n = 156) of studies published during the time period met the inclusion criteria. Studies with uncontrolled intervention or observational research designs comprised a larger proportion of the primary research studies published in the journals with lower impact factors (73.3%; n = 107) compared to the high impact journals (38.9%; n = 49). Analysis showed that 60.9% (n = 95) of the included studies made recommendations for clinical practice/dental policy. In 28.2% (n = 44) of studies, the clinical/policy recommendations made were judged to not be fully supported by the data presented. Many studies published in the current dental literature, which are not considered to produce strong evidence, make recommendations for clinical practice or policy. There were some cases when the recommendations were not fully supported by the data presented. Copyright © 2016 Elsevier Inc. All rights reserved.

  20. Catalyst design for enhanced sustainability through fundamental surface chemistry.

    Science.gov (United States)

    Personick, Michelle L; Montemore, Matthew M; Kaxiras, Efthimios; Madix, Robert J; Biener, Juergen; Friend, Cynthia M

    2016-02-28

    Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this review, we outline this approach in the context of a particular catalyst-nanoporous gold (npAu)-which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. We also briefly describe other systems in which this integrated approach was applied. © 2016 The Author(s).

  1. Using Free Computational Resources to Illustrate the Drug Design Process in an Undergraduate Medicinal Chemistry Course

    Science.gov (United States)

    Rodrigues, Ricardo P.; Andrade, Saulo F.; Mantoani, Susimaire P.; Eifler-Lima, Vera L.; Silva, Vinicius B.; Kawano, Daniel F.

    2015-01-01

    Advances in, and dissemination of, computer technologies in the field of drug research now enable the use of molecular modeling tools to teach important concepts of drug design to chemistry and pharmacy students. A series of computer laboratories is described to introduce undergraduate students to commonly adopted "in silico" drug design…

  2. Form Follows Function: Designer Chemistry at the 52nd Bürgenstock Conference.

    Science.gov (United States)

    Heretsch, Philipp

    2017-07-24

    The 52nd Bürgenstock Conference on Stereochemistry took place from April 30-May 4, 2017, and showed how chemistry and design go hand-in-hand (as reflected in the image of the Bauhausarchiv in Berlin). In this Conference Report, Philipp Heretsch outlines the program. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Transforming the Organic Chemistry Lab Experience: Design, Implementation, and Evaluation of Reformed Experimental Activities--REActivities

    Science.gov (United States)

    Collison, Christina G.; Kim, Thomas; Cody, Jeremy; Anderson, Jason; Edelbach, Brian; Marmor, William; Kipsang, Rodgers; Ayotte, Charles; Saviola, Daniel; Niziol, Justin

    2018-01-01

    Reformed experimental activities (REActivities) are an innovative approach to the delivery of the traditional material in an undergraduate organic chemistry laboratory. A description of the design and implementation of REActivities at both a four- and two-year institution is discussed. The results obtained using a reformed teaching observational…

  4. Automated recycling of chemistry for virtual screening and library design.

    Science.gov (United States)

    Vainio, Mikko J; Kogej, Thierry; Raubacher, Florian

    2012-07-23

    An early stage drug discovery project needs to identify a number of chemically diverse and attractive compounds. These hit compounds are typically found through high-throughput screening campaigns. The diversity of the chemical libraries used in screening is therefore important. In this study, we describe a virtual high-throughput screening system called Virtual Library. The system automatically "recycles" validated synthetic protocols and available starting materials to generate a large number of virtual compound libraries, and allows for fast searches in the generated libraries using a 2D fingerprint based screening method. Virtual Library links the returned virtual hit compounds back to experimental protocols to quickly assess the synthetic accessibility of the hits. The system can be used as an idea generator for library design to enrich the screening collection and to explore the structure-activity landscape around a specific active compound.

  5. Design of and initial results from a Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC

    Directory of Open Access Journals (Sweden)

    D. R. Glowacki

    2007-10-01

    Full Text Available The design of a Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC is described and initial results obtained from HIRAC are presented. The ability of HIRAC to perform in-situ laser-induced fluorescence detection of OH and HO2 radicals with the Fluorescence Assay by Gas Expansion (FAGE technique establishes it as internationally unique for a chamber of its size and pressure/temperature variable capabilities. In addition to the FAGE technique, HIRAC features a suite of analytical instrumentation, including: a multipass FTIR system; a conventional gas chromatography (GC instrument and a GC instrument for formaldehyde detection; NO/NO2, CO, O3, and H2O vapour analysers. Ray tracing simulations and NO2 actinometry have been utilized to develop a detailed model of the radiation field within HIRAC. Comparisons between the analysers and the FTIR coupled to HIRAC have been performed, and HIRAC has also been used to investigate pressure dependent kinetics of the chlorine atom reaction with ethene and the reaction of O3 and t-2-butene. The results obtained are in good agreement with literature recommendations and Master Chemical Mechanism predictions. HIRAC thereby offers a highly instrumented platform with the potential for: (1 high precision kinetics investigations over a range of atmospheric conditions; (2 detailed mechanism development, significantly enhanced according to its capability for measuring radicals; and (3 field instrument intercomparison, calibration, development, and investigations of instrument response at a range of atmospheric conditions.

  6. Blended/Hybrid Courses: A Review of the Literature and Recommendations for Instructional Designers and Educators

    Science.gov (United States)

    Helms, Samuel A.

    2014-01-01

    This article explores some of the literature on blended/hybrid learning and identifies recommendations for instructional designers and faculty. Terminology and definitions are discussed first including the debate between the words "blended" and "hybrid." A working definition for the article is discussed but the article does not…

  7. Analysis and design recommendation on rabbeted capping plate of equipment cell in nuclear chemical facility

    International Nuclear Information System (INIS)

    Zhang Jingyu; Yin Xiaozhan

    2013-01-01

    Rabbeted capping plates are widely used in the roof of equipment cells in order to meet the requirements of nuclear radiation protection. The key considerations in the design include vertical load, seismic load and repair load. This article establishes T shaped and Z-shaped plate model via FEM software (ANSYS), analyzes the bearing capacity and displacement distribution in different load cases, and provides recommendations to the design and construction accordingly. (authors)

  8. The Design and Implementation of an Intelligent Apparel Recommend Expert System

    Directory of Open Access Journals (Sweden)

    A. H. Dong

    2013-01-01

    Full Text Available Now with the rapid development of information science and technology, intelligent apparel recommend has drawn wide attention in apparel retail industry. Intelligent management and effective recommend are two issues of crucial importance for the retail store to enhance its corporate influence and increase its economic benefits. This paper proposes an intelligent recommend system design scheme for apparel retail which is based on expert system. By comprehensive utilization of database management and expert system technology, the proposed system provides a solid solution in improving the customer shopping experience. This paper presents a kind of object-oriented blackboard structure, which is applied in the apparel recommend expert system and establishes expert rule on the basis of apparel characteristic elements. Through the establishment of the rule base, the system generates personal recommend list by positive rule reasoning mechanism engine. The proposed method thus gives dress collocation scheme for the customer through the human-machine interaction from the point of view of the apparel experts. This design scheme avails the customers to experience targeted service with intellectualization, and personalization and it has certain reference significance for promoting apparel retail intelligence development.

  9. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  10. A User-Centric Diversity by Design Recommender System for the Movie Application Domain

    DEFF Research Database (Denmark)

    Zanitti, Michele; Kosta, Sokol; Sørensen, Jannick Kirk

    2018-01-01

    Recommender systems (RS) have seen widespread adoption across the Internet. However, by emphasizing personalization through the optimization of accuracy-focused metrics, over-personalization may emerge, with negative effects on the user experience. A countermeasure to the problem is to diversify...... recommendations. In this paper, we present a solution that addresses the problem in the context of a movie application domain. The solution enhances diversity on four related dimensions, namely global coverage, local coverage, novelty, and redundancy. The proposed solution is designed to diversify users profiles......, modeled on categorical preferences, within the same group in the recommendation filtering. We evaluate our approach on the Movielens dataset and show that our algorithm yields better results compared to random selection distant neighbors and performs comparably to one of the current state of the art...

  11. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  12. Aquatic Chemistry

    International Nuclear Information System (INIS)

    Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

    1987-07-01

    This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

  13. Design performances and chemistry program supporting the FA3 /UKEPRTM activity management: experience and modeling balance

    International Nuclear Information System (INIS)

    Tigeras, Arancha; Clinard, Marie-Helene; Chahma, Farah; Jolivet, Patrick; Bremnes, Oystein; Bachet, Martin

    2012-09-01

    EPR TM reactor accounts with an evolutionary design that provides the appropriate features to ensure the safety implementation of different chemistry and radiochemistry options. ALARP considerations have been taken into account by EDF-AREVA for making decisions relating to the activity management in the primary circuit of Flamanville 3-EPR TM and UK-EPR TM reactors. The water chemistry and radiochemistry concept implemented in FA3-EPR TM and UK-EPR TM reactors is the result of an exhaustive selection process based on the balance between the theoretical developments, the laboratory tests and the NPP experience concerning the diverse areas associated with: - The source term identification and characterization: The understanding of the origin and behavior of fission products/actinides, corrosion products and activation products constitutes the essential support for the selection of suitable parameters and criteria to monitor the system integrity, the tramp-uranium and radiation build-up and the discharges to the environment. - The source term quantification: The balance between the baseline data from PWR forerunner reactors and the assessments performed by modeling constitutes the major demonstration of the source term accuracy. This approach ensures that activity risks are understood and can be managed with the EPR TM design options. - The EPR TM design options evaluation: The sensitivity analysis results show the influence of the fuel management, the material choice and the chemistry conditioning on several domains such as the activity coolant and the fuel/ex-core crud management. EDF-AREVA demonstrates by means of this process that the design, sizing and chemistry conditioning of EPR TM reactor primary circuit are adapted to guarantee the correct activity management. The methodology developed, based on qualitative and quantitative assessments, intends to propose to the Nuclear Industry several alternatives for evaluating and/or improving the compliance with

  14. The Design-to-Analysis Process at Sandia National Laboratories Observations and Recommendations; TOPICAL

    International Nuclear Information System (INIS)

    BURNS, SHAWN P.; HARRISON, RANDY J.; DOBRANICH, DEAN

    2001-01-01

    The efficiency of the design-to-analysis process for translating solid-model-based design data to computational analysis model data plays a central role in the application of computational analysis to engineering design and certification. A review of the literature from within Sandia as well as from industry shows that the design-to-analysis process involves a number of complex organizational and technological issues. This study focuses on the design-to-analysis process from a business process standpoint and is intended to generate discussion regarding this important issue. Observations obtained from Sandia staff member and management interviews suggest that the current Sandia design-to-analysis process is not mature and that this cross-organizational issue requires committed high-level ownership. A key recommendation of the study is that additional resources should be provided to the computer aided design organizations to support design-to-analysis. A robust community of practice is also needed to continuously improve the design-to-analysis process and to provide a corporate perspective

  15. Increasing consumer demand for tobacco treatments: Ten design recommendations for clinicians and healthcare systems.

    Science.gov (United States)

    Woods, Susan Swartz; Jaén, Carlos Roberto

    2010-03-01

    Health professionals play an important role in addressing patient tobacco use in clinical settings. While there is clear evidence that identifying tobacco use and assisting smokers in quitting affects outcomes, challenges to improve routine, clinician-delivered tobacco intervention persist. The Consumer Demand Initiative has identified simple design principles to increase consumers' use of proven tobacco treatments. Applying these design strategies to activities across the healthcare system, we articulate ten recommendations that can be implemented in the context of most clinical systems where most clinicians work. The recommendations are: (1) reframe the definition of success, (2) portray proven treatments as the best care, (3) redesign the 5A's of tobacco intervention, (4) be ready to deliver the right treatment at the right time, (5) move tobacco from the social history to the problem list, (6) use words as therapy and language that makes sense, (7) fit tobacco treatment into clinical team workflows, (8) embed tobacco treatment into health information technology, (9) make every encounter an opportunity to intervene, and (10) end social disparities for tobacco users. Clinical systems need to change to improve tobacco treatment implementation. The consumer- and clinician-centered recommendations provide a roadmap that focuses on increasing clinician performance through greater understanding of the clinician's role in helping tobacco users, highlighting the value of evidence-based tobacco treatments, employing shared decision-making skills, and integrating routine tobacco treatment into clinical system routines. Published by Elsevier Inc.

  16. User-Centered Design for Developing Interventions to Improve Clinician Recommendation of Human Papillomavirus Vaccination.

    Science.gov (United States)

    Henninger, Michelle L; Mcmullen, Carmit K; Firemark, Alison J; Naleway, Allison L; Henrikson, Nora B; Turcotte, Joseph A

    2017-01-01

    Human papillomavirus (HPV) is the most common sexually transmitted infection in the US and is associated with multiple types of cancer. Although effective HPV vaccines have been available since 2006, coverage rates in the US remain much lower than with other adolescent vaccinations. Prior research has shown that a strong recommendation from a clinician is a critical determinant in HPV vaccine uptake and coverage. However, few published studies to date have specifically addressed the issue of helping clinicians communicate more effectively with their patients about the HPV vaccine. To develop one or more novel interventions for helping clinicians make strong and effective recommendations for HPV vaccination. Using principles of user-centered design, we conducted qualitative interviews, interviews with persons from analogous industries, and a data synthesis workshop with multiple stakeholders. Five potential intervention strategies targeted at health care clinicians, youth, and their parents were developed. The two most popular choices to pursue were a values-based communication strategy and a puberty education workbook. User-centered design is a useful strategy for developing potential interventions to improve the rate and success of clinicians recommending the HPV vaccine. Further research is needed to test the effectiveness and acceptability of these interventions in clinical settings.

  17. Recommendations for research design and reporting in computer-assisted diagnosis to facilitate meta-analysis.

    Science.gov (United States)

    Eadie, Leila H; Taylor, Paul; Gibson, Adam P

    2012-04-01

    Computer-assisted diagnosis (CAD) describes a diverse, heterogeneous range of applications rather than a single entity. The aims and functions of CAD systems vary considerably and comparing studies and systems is challenging due to methodological and design differences. In addition, poor study quality and reporting can reduce the value of some publications. Meta-analyses of CAD are therefore difficult and may not provide reliable conclusions. Aiming to determine the major sources of heterogeneity and thereby what CAD researchers could change to allow this sort of assessment, this study reviews a sample of 147 papers concerning CAD used with imaging for cancer diagnosis. It discusses sources of variability, including the goal of the CAD system, learning methodology, study population, design, outcome measures, inclusion of radiologists, and study quality. Based upon this evidence, recommendations are made to help researchers optimize the quality and comparability of their trial design and reporting. Copyright © 2011 Elsevier Inc. All rights reserved.

  18. Design recommendation to improve the energy efficiency in Hotel Moka, Las Terrazas

    International Nuclear Information System (INIS)

    Baldoquin, Natalí Collado; Rueda Guzmán, Luis Alberto; Pérez Vallina, Javier

    2017-01-01

    Tourist facilities are now major energy consumers, which leads to the well-known economic and environmental consequences. The Hotel Moka, in the community Las Terrazas, from its conception have stood out for trying to integrate to the nature and to avoid a high environmental impact. However, after more than two decades of creation, potentialities are identified to improve energy performance from architectural design, as well as technological changes and use of renewable sources of photovoltaic solar energy. In this paper, the main design factors that influence energy consumption are evaluated. It presents recommendations and design strategies that could improve the energy performance of the building from an integral approach achieving significant energy savings and cover about 20% from photovoltaic solar panels. (author)

  19. Literature survey, numerical examples, and recommended design studies for main-coolant pumps. Final report

    International Nuclear Information System (INIS)

    Allaire, P.E.; Barrett, L.E.

    1982-06-01

    This report presents an up-to-date literature survey, examples of calculations of seal forces or other pump properties, and recommendations for future work pertaining to primary coolant pumps and primary recirculating pumps in the nuclear power industry. Five main areas are covered: pump impeller forces, fluid annuli, bearings, seals, and rotor calculations. The main conclusion is that forces in pump impellers is perhaps the least well understood area, seals have had some good design work done on them recently, fluid annuli effects are being discussed in the literature, bearing designs are fairly well known, and rotor calculations have been discussed widely in the literature. It should be noted, however, that usually the literature in a given area is not applied to pumps in nuclear power stations. The most immediate need for a combined theoretical and experimental design capability exists in mechanical face seals

  20. Using computer-aided drug design and medicinal chemistry strategies in the fight against diabetes.

    Science.gov (United States)

    Semighini, Evandro P; Resende, Jonathan A; de Andrade, Peterson; Morais, Pedro A B; Carvalho, Ivone; Taft, Carlton A; Silva, Carlos H T P

    2011-04-01

    The aim of this work is to present a simple, practical and efficient protocol for drug design, in particular Diabetes, which includes selection of the illness, good choice of a target as well as a bioactive ligand and then usage of various computer aided drug design and medicinal chemistry tools to design novel potential drug candidates in different diseases. We have selected the validated target dipeptidyl peptidase IV (DPP-IV), whose inhibition contributes to reduce glucose levels in type 2 diabetes patients. The most active inhibitor with complex X-ray structure reported was initially extracted from the BindingDB database. By using molecular modification strategies widely used in medicinal chemistry, besides current state-of-the-art tools in drug design (including flexible docking, virtual screening, molecular interaction fields, molecular dynamics, ADME and toxicity predictions), we have proposed 4 novel potential DPP-IV inhibitors with drug properties for Diabetes control, which have been supported and validated by all the computational tools used herewith.

  1. Chemistry Technology

    Data.gov (United States)

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  2. Wave kinematics and response of slender offshore structures. Vol 2: Recommendation for design

    Energy Technology Data Exchange (ETDEWEB)

    Ottesen Hansen, N.E.

    1999-08-01

    This memorandum comprises a design recommendation for slender structures exposed to wave and current loading in the sea. It is considered as an addendum to DS 499 or the DnV Classification Notes No. 30.5. Slender structures are structures as risers, well conductors, or structures with small diameter members which are dynamically amplified or liable to hydro-elastic vibrations such as vortex induced vibrations, self-excited vibrations and other dynamic phenomena. The newer type of steel platforms have a large number of these members attached to them. The present guideline is motivated by a number of failures of conductors. Some failures took place during drilling are were caused by fatigue which developed due to hydroelastic vibrations. Other failures have been caused by clamped conductors due to strong wave forces. The recommendations are based on full scale field measurements of waves and currents and of instrumented pipes in the North Sea both for high and for low Keulegan-Carpenter numbers. The measurements have been made under realistic storm conditions, which means that the recommendations are fully verified. (au)

  3. Empowering the end-user in smart grids: Recommendations for the design of products and services

    International Nuclear Information System (INIS)

    Geelen, Daphne; Reinders, Angèle; Keyson, David

    2013-01-01

    In discussions on smart grids, it is often stated that residential end-users will play a more active role in the management of electric power supply and demand. They are expected to shift from a passive role as consumer of electricity to an active role as co-provider. In this article, the extent to which current technologies, products and services empower end-users to take up an active role as co-providers is evaluated. Based on a review of literature and related pilot projects, current approaches were found to be driven by technical and financial considerations. There appears to be a lack of product and service design that supports end-users in their role as co-providers in a smart grid. This is reflected in the lack of thought given to how the end-users’ process of behavioral change can be supported to enable the transition from consumer to co-provider. Several recommendations are provided for product and service designers towards fostering the role of co-provider, which comes under under: (a) user interaction needs, (b) approaches to behavioral change and (c) community initiatives and management of resources. Designers are considered to play a bridging role between policy making and engineering, while facilitating involvement of end-users in the design process. - Highlights: • Overview of products and services for residential end-users in smart grids. • Evaluation of extent to which end-users are empowered to adopt a co-provider role. • Products and services often focus on technical functionality and financial incentives. • Behavioral aspects and social context would have to be taken into account more. • Design recommendations are proposed to empower end-users in becoming co-providers

  4. Designing an educative curriculum unit for teaching molecular geometry in high school chemistry

    Science.gov (United States)

    Makarious, Nader N.

    Chemistry is a highly abstract discipline that is taught and learned with the aid of various models. Among the most challenging, yet a fundamental topic in general chemistry at the high school level, is molecular geometry. This study focused on developing exemplary educative curriculum materials pertaining to the topic of molecular geometry. The methodology used in this study consisted of several steps. First, a diverse set of models were analyzed to determine to what extent each model serves its purpose in teaching molecular geometry. Second, a number of high school teachers and college chemistry professors were asked to share their experiences on using models in teaching molecular geometry through an online questionnaire. Third, findings from the comparative analysis of models, teachers’ experiences, literature review on models and students’ misconceptions, the curriculum expectations of the Next Generation Science Standards and their emphasis on three-dimensional learning and nature of science (NOS) contributed to the development of the molecular geometry unit. Fourth, the developed unit was reviewed by fellow teachers and doctoral-level science education experts and was revised to further improve its coherence and clarity in support of teaching and learning of the molecular geometry concepts. The produced educative curriculum materials focus on the scientific practice of developing and using models as promoted in the Next Generations Science Standards (NGSS) while also addressing nature of science (NOS) goals. The educative features of the newly developed unit support teachers’ pedagogical knowledge (PK) and pedagogical content knowledge (PCK). The unit includes an overview, teacher’s guide, and eight detailed lesson plans with inquiry oriented modeling activities replete with models and suggestions for teachers, as well as formative and summative assessment tasks. The unit design process serves as a model for redesigning other instructional units in

  5. OARSI Clinical Trials Recommendations: Design and conduct of clinical trials for hand osteoarthritis.

    Science.gov (United States)

    Kloppenburg, M; Maheu, E; Kraus, V B; Cicuttini, F; Doherty, M; Dreiser, R-L; Henrotin, Y; Jiang, G-L; Mandl, L; Martel-Pelletier, J; Nelson, A E; Neogi, T; Pelletier, J-P; Punzi, L; Ramonda, R; Simon, L S; Wang, S

    2015-05-01

    Hand osteoarthritis (OA) is a very frequent disease, but yet understudied. However, a lot of works have been published in the past 10 years, and much has been done to better understand its clinical course and structural progression. Despite this new knowledge, few therapeutic trials have been conducted in hand OA. The last OARSI recommendations for the conduct of clinical trials in hand OA dates back to 2006. The present recommendations aimed at updating previous recommendations, by incorporating new data. The purpose of this expert opinion, consensus driven exercise is to provide evidence-based guidance on the design, execution and analysis of clinical trials in hand OA, where published evidence is available, supplemented by expert opinion, where evidence is lacking, to perform clinical trials in hand OA, both for symptom and for structure-modification. They indicate core outcome measurement sets for studies in hand OA, and list the methods and instruments that should be used to measure symptoms or structure. For both symptom- and structure-modification, at least pain, physical function, patient global assessment, HR-QoL, joint activity and hand strength should be assessed. In addition, for structure-modification trials, structural progression should be measured by radiographic changes. We also provide a research agenda listing many unsolved issues that seem to most urgently need to be addressed from the perspective of performing "good" clinical trials in hand OA. These updated OARSI recommendations should allow for better standardizing the conduct of clinical trials in hand OA in the next future. Copyright © 2015 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  6. Designing a 'neotissue' using the principles of biology, chemistry and engineering.

    Science.gov (United States)

    Nannaparaju, Madhusudhan; Oragui, Emeka; Khan, Wasim S

    2012-01-01

    The traditional methods of treating musculoskeletal injuries and disorders are not completely effective and have several limitations. Tissue engineering involves using the principles of biology, chemistry and engineering to design a 'neotissue' that augments a malfunctioning in vivo tissue. The main requirements for functional engineered tissue include reparative cellular components that proliferate on a scaffold grown within a bioreactor that provides specific biochemical and physical signals to regulate cell differentiation and tissue assembly. In this review we provide an overview of the biology of common musculoskeletal tissue and discuss their common pathologies. We also describe the commonly used stem cells, scaffolds and bioreactors and evaluate their role in issue engineering.

  7. Assessing Cognitive Function in Bipolar Disorder: Challenges and Recommendations for Clinical Trial Design

    Science.gov (United States)

    Burdick, Katherine E.; Ketter, Terence A.; Goldberg, Joseph F.; Calabrese, Joseph R.

    2015-01-01

    OBJECTIVE Neurocognitive impairment in schizophrenia has been recognized for more than a century. In contrast, only recently have significant neurocognitive deficits been recognized in bipolar disorder. Converging data suggest the importance of cognitive problems in relation to quality of life in bipolar disorder, highlighting the need for treatment and prevention efforts targeting cognition in bipolar patients. Future treatment trials targeting cognitive deficits will be met with methodological challenges due to the inherent complexity and heterogeneity of the disorder, including significant diagnostic comorbidities, the episodic nature of the illness, frequent use of polypharmacy, cognitive heterogeneity, and a lack of consensus regarding measurement of cognition and outcome in bipolar patients. Guidelines for use in designing future trials are needed. PARTICIPANTS The members of the consensus panel (each of the bylined authors) were selected based upon their expertise in bipolar disorder. Dr. Burdick is a neuropsychologist who has studied cognition in this illness for 15 years; Drs. Ketter, Calabrese, and Goldberg each bring considerable expertise in the treatment of bipolar disorder both within and outside of controlled clinical trials. This consensus statement was derived from work together at scientific meetings (e.g. symposium presention at the 2014 Annual meeting of the American Society of Clinical Psychopharmacology, among others) and ongoing discussions by conference call. With the exception of the public presentations on this topic, these meetings were closed to outside participants. EVIDENCE A literature review was undertaken by the authors to identify illness-specific challenges relevant to the design and conduct of treatment trials targeting neurocognition in bipolar disorder. Expert opinion from each of the authors guided the consensus recommendations. CONSENSUS PROCESS Consensus recommendations, reached by unanimous opinion of the authors, are

  8. Application of computer assisted combinatorial chemistry in antivirial, antimalarial and anticancer agents design

    Science.gov (United States)

    Burello, E.; Bologa, C.; Frecer, V.; Miertus, S.

    Combinatorial chemistry and technologies have been developed to a stage where synthetic schemes are available for generation of a large variety of organic molecules. The innovative concept of combinatorial design assumes that screening of a large and diverse library of compounds will increase the probability of finding an active analogue among the compounds tested. Since the rate at which libraries are screened for activity currently constitutes a limitation to the use of combinatorial technologies, it is important to be selective about the number of compounds to be synthesized. Early experience with combinatorial chemistry indicated that chemical diversity alone did not result in a significant increase in the number of generated lead compounds. Emphasis has therefore been increasingly put on the use of computer assisted combinatorial chemical techniques. Computational methods are valuable in the design of virtual libraries of molecular models. Selection strategies based on computed physicochemical properties of the models or of a target compound are introduced to reduce the time and costs of library synthesis and screening. In addition, computational structure-based library focusing methods can be used to perform in silico screening of the activity of compounds against a target receptor by docking the ligands into the receptor model. Three case studies are discussed dealing with the design of targeted combinatorial libraries of inhibitors of HIV-1 protease, P. falciparum plasmepsin and human urokinase as potential antivirial, antimalarial and anticancer drugs. These illustrate library focusing strategies.

  9. The first sustainable material designed for air particulate matter capture: An introduction to Azure Chemistry.

    Science.gov (United States)

    Zanoletti, A; Bilo, F; Depero, L E; Zappa, D; Bontempi, E

    2018-07-15

    This work presents a new porous material (SUNSPACE) designed for air particulate matter (PM) capture. It was developed in answer to the European Commission request of an innovative, affordable, and sustainable solution, based on design-driven material, to reduce the concentration of air particulate matter in urban areas. SUNSPACE material was developed from by-products and low-cost materials, such as silica fume and sodium alginate. Its capability to catch ultrafine PM was evaluated by different ad-hoc tests, considering diesel exhaust fumes and incense smoke PM. Despite the fact that procedures and materials can be designed for remediation, the high impact on the environment, for example in terms of natural resources consumption and emissions, are not usually considered. Instead, we believe that the technologies must be always evaluated in terms of material embodied energy (EE) and carbon footprint (CF). We define our approach to solve environment problems by a sustainable methodology "Azure Chemistry". For the SUNSPACE synthesis, the multi-criteria decision analysis was performed to select the best sustainable solution. The emissions and the energies involved in the synthesis of SUNSPACE material were evaluated with the Azure Chemistry approach, showing that this could be the best available technology to face the problem of capturing the PM in urban area. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

    Science.gov (United States)

    Moitessier, Nicolas; Pottel, Joshua; Therrien, Eric; Englebienne, Pablo; Liu, Zhaomin; Tomberg, Anna; Corbeil, Christopher R

    2016-09-20

    Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examples-and several pertinent cases within our research program. Fifteen years ago, our first docking-guided drug design project yielded nanomolar metalloproteinase inhibitors and illustrated the potential of structure-based drug design. Subsequent applications of docking programs to the design of integrin antagonists, BACE-1 inhibitors, and aminoglycosides binding to bacterial RNA demonstrated that available docking programs needed significant improvement. At that time, docking programs primarily considered flexible ligands and rigid proteins. We demonstrated that accounting for protein flexibility, employing displaceable water molecules, and using ligand-based pharmacophores improved the docking accuracy of existing methods-enabling the design of bioactive molecules. The success prompted the development of our own program, Fitted, implementing all of these aspects. The primary motivation has always been to respond to the needs of drug design studies; the majority of the concepts behind the evolution of Fitted are rooted in medicinal chemistry projects and collaborations. Several examples follow: (1) Searching for HDAC inhibitors led us to develop methods considering drug-zinc coordination and its effect on the pKa of surrounding residues. (2) Targeting covalent prolyl oligopeptidase (POP) inhibitors prompted an update to Fitted to identify reactive groups and form bonds with a given residue (e.g., a catalytic residue) when the geometry allows it. Fitted-the first fully automated covalent docking program-was successfully applied to the discovery of four new classes of covalent POP inhibitors. As a result, efficient stereoselective syntheses of a few screening hits were prioritized rather than synthesizing large chemical libraries-yielding nanomolar inhibitors. (3) In order to study the metabolism of POP inhibitors by

  11. A Synthesis of Fluid Dynamics and Quantum Chemistry for the Design of Nanoelectronics

    Science.gov (United States)

    MacDougall, Preston J.

    1998-01-01

    In 1959, during a famous lecture entitled "There's Plenty of Room at the Bottom", Richard Feynman focused on the startling technical possibilities that would exist at the limit of miniaturization, that being atomically precise devices with dimensions in the nanometer range. A nanometer is both a convenient unit of length for medium to large sized molecules, and the root of the name of the new interdisciplinary field of "nanotechnology". Essentially, "nanoelectronics" denotes the goal of shrinking electronic devices, such as diodes and transistors, as well as integrated circuits of such devices that can perform logical operations, down to dimensions in the range of 100 nanometers. The thirty-year hiatus in the development of nanotechnology can figuratively be seen as a period of waiting for the bottom-up and atomically precise construction skills of synthetic chemistry to meet the top-down reductionist aspirations of device physics. The sub-nanometer domain of nineteenth-century classical chemistry has steadily grown, and state-of-the-art supramolecular chemistry can achieve atomic precision in non-repeating molecular assemblies of the size desired for nanotechnology. For nanoelectronics in particular, a basic understanding of the electron transport properties of molecules must also be developed. Quantum chemistry provides powerful computational methods that can accurately predict the properties of small to medium sized molecules on a desktop workstation, and those of large molecules if one has access to a supercomputer. Of the many properties of a molecule that quantum chemistry routinely predicts, the ability to carry a current is one that had not even been considered until recently. "Currently", there is a controversy over just how to define this key property. Reminiscent of the situation in high-Tc superconductivity, much of the difficulty arises from the different models that are used to simplify the complex electronic structure of real materials. A model

  12. Design improvements related to chemistry for the Evolutionary Power reactor (EPR) unit at Flamanville 3

    International Nuclear Information System (INIS)

    Lacroix, Christophe; Alves-Vieira, Maria; Jutel, Laurent

    2012-09-01

    A significant number of improvements, including for chemistry, have been made for the design of the EPR turbine hall as a result of the considerable wealth of experience and feedback drawn from the EDF fleet. To reduce issues associated with flow accelerated corrosion, as well as Steam Generator (SG) fouling or clogging, appropriate materials for the piping and the exchangers, and an adequate chemical conditioning, were chosen to ensure a 60 year lifespan of the main components of the circuit. The condenser technology was also improved to mitigate the risks of raw water ingress. A dedicated local sampling line was added at feedwater (FW) to monitor the iron concentration. EPR includes a polishing system at start-up to ensure the purification of feedwater in a short time (less than 16 hours) along with reduced discharged effluents. Comprehensive studies were carried out, taking into account costs (investment, operation, and maintenance), consumption and discharge of chemical reagents, or risks of pollutions during the process. This lead to the choice of system dedicated to start-up only, similar to the mobile system used in some French Nuclear Power Plants (NPPs), instead of a condensate polishing plant. Emphasis was also placed on providing a flexible and secure injection system for the chemical reagents (SIR). Indeed, it will be possible to inject two amines and hydrazine, and to perform tailored injection in many parts of the circuit. Furthermore, the room was design to facilitate future design changes, such as if dispersant injection is required as a preventative solution for SG fouling. In addition to that, close attention was applied to mitigate chemical hazards, especially regarding the hydrazine CMR effect or explosive atmosphere. This paper describes the technical and the economical choices that lead to these improvements related to chemistry in the turbine hall design, along with a comprehensive overview of the chosen designs. (authors)

  13. Forensic Chemistry

    Science.gov (United States)

    Bell, Suzanne

    2009-07-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  14. The Use of Stilbene Scaffold in Medicinal Chemistry and Multi- Target Drug Design.

    Science.gov (United States)

    Giacomini, Elisa; Rupiani, Sebastiano; Guidotti, Laura; Recanatini, Maurizio; Roberti, Marinella

    2016-01-01

    The stilbene scaffold is a basic element for a number of biologically active natural and synthetic compounds, and it is considered as a privileged structure. Stilbenes exemplified by resveratrol, combretastatin A-4 and pterostilbene are of significant interest for drug research and development because of their potential in therapeutic and preventive application. Resveratrol, present in grapes and other food products, plays a role in the prevention of several human pathological processes and has been suggested as an anticancer agent. Moreover, recent evidence has revealed its potential effect on the aging process, diabetes and neurological dysfunction. Combretastatin A-4, from the bark of South African bush willow Combretum caffrum, also shows significant antitumor activity. Pterostilbene is closely related to resveratrol, sharing the same unique therapeutic potential as anti-inflammatory, antineoplastic and antioxidant agent. Therefore, research and development of stilbene-based medicinal chemistry have become rapidly evolving and increasingly active topics covering almost the whole range of therapeutic fields. In the present review, we provide an overview of the role of stilbenes in medicinal chemistry. In this context, we highlight the chemical methodologies adopted for the synthesis of stilbene derivatives, and outline the successful design of novel stilbene based hybrids in the field of cancer, Alzheimer's and other relevant diseases. This information may be useful in further design of stilbene-based molecules as new leads for the development of novel agents with clinical potential or as effective chemical probes to dissect biological processes.

  15. Research design considerations for clinical studies of abuse-deterrent opioid analgesics: IMMPACT recommendations

    Science.gov (United States)

    Turk, Dennis C.; O’Connor, Alec B.; Dworkin, Robert H.; Chaudhry, Amina; Katz, Nathaniel P.; Adams, Edgar H.; Brownstein, John S.; Comer, Sandra D.; Dart, Richard; Dasgupta, Nabarun; Denisco, Richard A.; Klein, Michael; Leiderman, Deborah B.; Lubran, Robert; Rappaport, Bob A.; Zacny, James P.; Ahdieh, Harry; Burke, Laurie B.; Cowan, Penney; Jacobs, Petra; Malamut, Richard; Markman, John; Michna, Edward; Palmer, Pamela; Peirce-Sandner, Sarah; Potter, Jennifer S.; Raja, Srinivasa N.; Rauschkolb, Christine; Roland, Carl L.; Webster, Lynn R.; Weiss, Roger D.; Wolf, Kerry

    2013-01-01

    Opioids are essential to the management of pain in many patients, but they also are associated with potential risks for abuse, overdose, and diversion. A number of efforts have been devoted to the development of abuse-deterrent formulations of opioids to reduce these risks. This article summarizes a consensus meeting that was organized to propose recommendations for the types of clinical studies that can be used to assess the abuse deterrence of different opioid formulations. Due to the many types of individuals who may be exposed to opioids, an opioid formulation will need to be studied in several populations using various study designs in order to determine its abuse-deterrent capabilities. It is recommended that the research conducted to evaluate abuse deterrence should include studies assessing: (1) abuse liability; (2) the likelihood that opioid abusers will find methods to circumvent the deterrent properties of the formulation; (3) measures of misuse and abuse in randomized clinical trials involving pain patients with both low risk and high risk of abuse; and (4) post-marketing epidemiological studies. PMID:22770841

  16. Recommendations for the ethical use and design of artificial intelligent care providers.

    Science.gov (United States)

    Luxton, David D

    2014-09-01

    This paper identifies and reviews ethical issues associated with artificial intelligent care providers (AICPs) in mental health care and other helping professions. Specific recommendations are made for the development of ethical codes, guidelines, and the design of AICPs. Current developments in the application of AICPs and associated technologies are reviewed and a foundational overview of applicable ethical principles in mental health care is provided. Emerging ethical issues regarding the use of AICPs are then reviewed in detail. Recommendations for ethical codes and guidelines as well as for the development of semi-autonomous and autonomous AICP systems are described. The benefits of AICPs and implications for the helping professions are discussed in order to weigh the pros and cons of their use. Existing ethics codes and practice guidelines do not presently consider the current or the future use of interactive artificial intelligent agents to assist and to potentially replace mental health care professionals. AICPs present new ethical issues that will have significant ramifications for the mental health care and other helping professions. Primary issues involve the therapeutic relationship, competence, liability, trust, privacy, and patient safety. Many of the same ethical and philosophical considerations are applicable to use and design of AICPs in medicine, nursing, social work, education, and ministry. The ethical and moral aspects regarding the use of AICP systems must be well thought-out today as this will help to guide the use and development of these systems in the future. Topics presented are relevant to end users, AI developers, and researchers, as well as policy makers and regulatory boards. Published by Elsevier B.V.

  17. Committee on Diabetes Mellitus Indices of the Japan Society of Clinical Chemistry-recommended reference measurement procedure and reference materials for glycated albumin determination.

    Science.gov (United States)

    Takei, Izumi; Hoshino, Tadao; Tominaga, Makoto; Ishibashi, Midori; Kuwa, Katsuhiko; Umemoto, Masao; Tani, Wataru; Okahashi, Mikiko; Yasukawa, Keiko; Kohzuma, Takuji; Sato, Asako

    2016-01-01

    Glycated albumin is an intermediate glycaemic control marker for which there are several measurement procedures with entirely different reference intervals. We have developed a reference measurement procedure for the purpose of standardizing glycated albumin measurements. The isotope dilution liquid chromatography/tandem mass spectrometry method was developed as a reference measurement procedure for glycated albumin. The stable isotopes of lysine and fructosyl-lysine, which serve as an internal standard, were added to albumin isolated from serum, followed by hydrogenation. After hydrolysis of albumin with hot hydrochloric acid, the liberated lysine and fructosyl-lysine were measured by liquid chromatography/tandem mass spectrometry, and their concentrations were determined from each isotope ratio. The reference materials (JCCRM611) for determining of glycated albumin were prepared from pooled patient blood samples. The isotope dilution-tandem mass spectrometry calibration curve of fructosyl-lysine and lysine showed good linearity (r = 0.999). The inter-assay and intra-assay coefficient of variation values of glycated albumin measurement were 1.2 and 1.4%, respectively. The glycated albumin values of serum in patients with diabetes assessed through the use of this method showed a good relationship with routine measurement procedures (r = 0.997). The relationship of glycated albumin values of the reference material (JCCRM611) between these two methods was the same as the relationship with the patient serum samples. The Committee on Diabetes Mellitus Indices of the Japan Society of Clinical Chemistry recommends the isotope dilution liquid chromatography/tandem mass spectrometry method as a reference measurement procedure, and JCCRM611 as a certified reference material for glycated albumin measurement. In addition, we recommend the traceability system for glycated albumin measurement. © The Author(s) 2015.

  18. Design and Evaluation of a One-Semester General Chemistry Course for Undergraduate Life Science Majors

    Science.gov (United States)

    Schnoebelen, Carly; Towns, Marcy H.; Chmielewski, Jean; Hrycyna, Christine A.

    2018-01-01

    The chemistry curriculum for undergraduate life science majors at Purdue University has been transformed to better meet the needs of this student population and prepare them for future success. The curriculum, called the 1-2-1 curriculum, includes four consecutive and integrated semesters of instruction in general chemistry, organic chemistry, and…

  19. 77 FR 43131 - Designation of the Center for Innovation and Technology Cooperation (CITC), Pentane Chemistry...

    Science.gov (United States)

    2012-07-23

    ... Cooperation (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh Pursuant to Executive Order 13382... (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh Pursuant to E.O. 13382. SUMMARY... Cooperation (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh, have engaged, or attempted to...

  20. 78 FR 13142 - Designation of the Center for Innovation and Technology Cooperation (CITC), Pentane Chemistry...

    Science.gov (United States)

    2013-02-26

    ... Cooperation (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh Pursuant to Executive Order 13382... (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh Pursuant to E.O. 13382. SUMMARY... Cooperation (CITC), Pentane Chemistry Industries (PCI), and Hossein Tanideh, have engaged, or attempted to...

  1. Expanding Learning and Social Interaction through Intelligent Systems Design: Implementing a Reputation and Recommender System for the Claremont Conversation Online

    Science.gov (United States)

    Thoms, Brian

    2009-01-01

    In this dissertation I examine the design, construction and implementation of an online blog ratings and user recommender system for the Claremont Conversation Online (CCO). In line with constructivist learning models and practical information systems (IS) design, I implemented a blog ratings system (a system that can be extended to allow for…

  2. Designing nanomaterials to maximize performance and minimize undesirable implications guided by the Principles of Green Chemistry.

    Science.gov (United States)

    Gilbertson, Leanne M; Zimmerman, Julie B; Plata, Desiree L; Hutchison, James E; Anastas, Paul T

    2015-08-21

    The Twelve Principles of Green Chemistry were first published in 1998 and provide a framework that has been adopted not only by chemists, but also by design practitioners and decision-makers (e.g., materials scientists and regulators). The development of the Principles was initially motivated by the need to address decades of unintended environmental pollution and human health impacts from the production and use of hazardous chemicals. Yet, for over a decade now, the Principles have been applied to the synthesis and production of engineered nanomaterials (ENMs) and the products they enable. While the combined efforts of the global scientific community have led to promising advances in the field of nanotechnology, there remain significant research gaps and the opportunity to leverage the potential global economic, societal and environmental benefits of ENMs safely and sustainably. As such, this tutorial review benchmarks the successes to date and identifies critical research gaps to be considered as future opportunities for the community to address. A sustainable material design framework is proposed that emphasizes the importance of establishing structure-property-function (SPF) and structure-property-hazard (SPH) relationships to guide the rational design of ENMs. The goal is to achieve or exceed the functional performance of current materials and the technologies they enable, while minimizing inherent hazard to avoid risk to human health and the environment at all stages of the life cycle.

  3. Designing and Developing an Augmented Reality Application: A Sample Of Chemistry Education

    Directory of Open Access Journals (Sweden)

    Zeynep Taçgın

    2016-09-01

    Full Text Available Augmented Reality has been accepted as an effective educational method and this review depends on philosophical background of cognitive science. This means, several channels –aural, visual, and interactivity, etc. - have been used to offer information in order to support individual learning styles. In this study, Natural User Interface- and Human Computer Interaction-based Augmented Reality application has been developed for the chemistry education. The purpose of this study is to design and develop a student-centered Augmented Reality environment to teach periodic table, and atomic structure of the elements and molecules. Head Mounted Display has been used to develop Augmented Reality system, and user control has been executed with hand motions (grab, drag, drop, select and rotate. The hand motion control has been used to improve spatial abilities of students in order to maximize the transferred knowledge. Use of the most common natural controlling tools (fingers and hands to interact with virtual objects instead of AR markers or other tools provides a more interactive, holistic, social and effective learning environment that authentically reflects the world around them. In this way, learners have an active role, and are not just passive receptors. Correspondingly, the developed NUI-based system has been constructed as design-based research and developed by using instructional design methods and principles to get reach of more effective and productive learning material. Features of this developed material consist of some fundamental components to create more intuitive and conductive tools in order to support Real World collaboration.

  4. Recommendations on X80 steel for the design of hydrogen gas transmission pipelines

    International Nuclear Information System (INIS)

    Briottet, L.; Batisse, R.; De Dinechin, G.; Langlois, P.; Thiers, L.

    2012-01-01

    By limiting the pipes thickness necessary to sustain high pressure, high-strength steels could prove economically relevant for transmitting large gas quantities in pipelines on long distance. Up to now, the existing hydrogen pipelines have used lower-strength steels to avoid any hydrogen embrittlement. The CATHY-GDF project, funded by the French National Agency for Research, explored the ability of an industrial X80 grade for the transmission of pressurized hydrogen gas in large diameter pipelines. This project has developed experimental facilities to test the material under hydrogen gas pressure. Indeed, tensile, toughness, crack propagation and disc rupture tests have been performed. From these results, the effect of hydrogen pressure on the size of some critical defects has been analyzed allowing proposing some recommendations on the design of X80 pipe for hydrogen transport. Cost of Hydrogen transport could be several times higher than natural gas one for a given energy amount. Moreover, building hydrogen pipeline using high grade steels could induce a 10 to 40% cost benefit instead of using low grade steels, despite their lower hydrogen susceptibility. (authors)

  5. Developing longitudinal qualitative designs: lessons learned and recommendations for health services research.

    Science.gov (United States)

    Calman, Lynn; Brunton, Lisa; Molassiotis, Alex

    2013-02-06

    Longitudinal qualitative methods are becoming increasingly used in the health service research, but the method and challenges particular to health care settings are not well described in the literature.We reflect on the strategies used in a longitudinal qualitative study to explore the experience of symptoms in cancer patients and their carers, following participants from diagnosis for twelve months; we highlight ethical, practical, theoretical and methodological issues that need to be considered and addressed from the outset of a longitudinal qualitative study. Key considerations in undertaking longitudinal qualitative projects in health research, include the use of theory, utilizing multiple methods of analysis and giving consideration to the practical and ethical issues at an early stage. These can include issues of time and timing; data collection processes; changing the topic guide over time; recruitment considerations; retention of staff; issues around confidentiality; effects of project on staff and patients, and analyzing data within and across time. As longitudinal qualitative methods are becoming increasingly used in health services research, the methodological and practical challenges particular to health care settings need more robust approaches and conceptual improvement. We provide recommendations for the use of such designs. We have a particular focus on cancer patients, so this paper will have particular relevance for researchers interested in chronic and life limiting conditions.

  6. Chemistry Science Investigation: Dognapping Workshop, an Outreach Program Designed to Introduce Students to Science through a Hands-On Mystery

    Science.gov (United States)

    Boyle, Timothy J.; Sears, Jeremiah M.; Hernandez-Sanchez, Bernadette A.; Casillas, Maddison R.; Nguyen, Thao H.

    2017-01-01

    The Chemistry Science Investigation: Dognapping Workshop was designed to (i) target and inspire fourth grade students to view themselves as "Junior Scientists" before their career decisions are solidified; (ii) enable hands-on experience in fundamental scientific concepts; (iii) increase public interaction with science, technology,…

  7. Mental health consumer parents' recommendations for designing psychoeducation interventions for their minor children.

    Science.gov (United States)

    Riebschleger, Joanne; Onaga, Esther; Tableman, Betty; Bybee, Deborah

    2014-09-01

    This research explores consumer parents' recommendations for developing psychoeducation programs for their minor children. Data were drawn from a purposive sample of 3 focus groups of parent consumers of a community mental health agency. The research question was: "What do consumer parents recommend for developing psychoeducation programs for their minor children?" Parents recommended content foci of mental illness, recovery, heritability, stigma, and coping. The next step is youth psychoeducation intervention development and evaluation. Parents, youth, and professionals should be included in the program planning. (PsycINFO Database Record (c) 2014 APA, all rights reserved).

  8. Design and evaluation of digital activating learning materials for Food Chemistry education.

    NARCIS (Netherlands)

    Diederen, J.

    2005-01-01

    Food chemistry is amongst others about the components and chemical reactions that are part of food products, about the effect of chemical reactions on the quality and about the techniques used to research food products. To support students in acquiring the knowledge and skills of food chemistry, in

  9. Concept-Oriented Task Design: Making Purposeful Case Comparisons in Organic Chemistry

    Science.gov (United States)

    Graulich, Nicole; Schween, Michael

    2018-01-01

    Acquiring conceptual understanding seems to be one of the main challenges students face when studying organic chemistry. Traditionally, organic chemistry presents an extensive variety of chemical transformations, which often lead students to recall an organic transformation rather than apply conceptual knowledge. Strong surface level focus and…

  10. Recommendations for designing and conducting veterinary clinical pathology biologic variation studies

    DEFF Research Database (Denmark)

    Freeman, Kathleen P; Baral, Randolph M; Dhand, Navneet K

    2017-01-01

    The recent creation of a veterinary clinical pathology biologic variation website has highlighted the need to provide recommendations for future studies of biologic variation in animals in order to help standardize and improve the quality of published information and to facilitate review......). These recommendations provide a valuable resource for clinicians, laboratorians, and researchers interested in conducting studies of biologic variation and in determining the quality of studies of biologic variation in veterinary laboratory testing....

  11. The use of high impact practices (HIPs) on chemistry lesson design and implementation by pre-service teachers

    Science.gov (United States)

    Chamrat, Suthida; Apichatyotin, Nattaya; Puakanokhirun, Kittaporn

    2018-01-01

    The quality of lesson design is essential to learning effectiveness. Research shows some characteristics of lessons have strong effect on learning which were grouped into "High Impact Practices or HIPs. This research aims to examine the use of HIPs on chemistry lesson design as a part of Teaching Science Strand in Chemistry Concepts course. At the first round of lesson design and implementing in classroom, 14 chemistry pre-services teachers freely selected topics, designed and implemented on their own ideas. The lessons have been reflected by instructors and their peers. High Impact Practices were overtly used as the conceptual framework along with the After-Action Review and Reflection (AARR). The selected High Impact practice in this study consisted of 6 elements: well-designed lesson, vary cognitive demand/academic challenge, students center approach, opportunity of students to reflect by discussion or writing, the assignment of project based learning or task, and the lesson reflects pre-service teachers' Technological Pedagogical Content Knowledge (TPACK). The second round, pre-service teachers were encouraged to explicitly used 6 High Impact Practices in cooperated with literature review specified on focused concepts for bettering designed and implemented lessons. The data were collected from 28 lesson plans and 28 classroom observations to compare and discuss between the first and second lesson and implementation. The results indicated that High Impact Practices effect on the quality of delivered lesson. However, there are some elements that vary on changes which were detailed and discussed in this research article.

  12. Recommendations to designers aimed at minimizing radiation dose incurred in operation, maintenance, inspection and repair of light-water reactors

    International Nuclear Information System (INIS)

    1978-01-01

    In the framework of the exchange of experience between nuclear power plant operators organized by the services of the Commission of the European Communities an ad-hoc working party elaborated recommendations particularly directed to those concerned with design of light water reactor plants. The necessary design measures which should be followed to minimize radiation dose incurred in operation, maintenance, inspection and repair of such reactors are listed. The recommendations are based on recent views expressed by operating utilities within the Community. It is intended to revise these recommendations at suitable intervals in order to make use of the most recent experience and to keep the report up to date with the actual state of art in nuclear technology

  13. "Solvent-in-salt" systems for design of new materials in chemistry, biology and energy research.

    Science.gov (United States)

    Azov, Vladimir A; Egorova, Ksenia S; Seitkalieva, Marina M; Kashin, Alexey S; Ananikov, Valentine P

    2018-02-21

    Inorganic and organic "solvent-in-salt" (SIS) systems have been known for decades but have attracted significant attention only recently. Molten salt hydrates/solvates have been successfully employed as non-flammable, benign electrolytes in rechargeable lithium-ion batteries leading to a revolution in battery development and design. SIS with organic components (for example, ionic liquids containing small amounts of water) demonstrate remarkable thermal stability and tunability, and present a class of admittedly safer electrolytes, in comparison with traditional organic solvents. Water molecules tend to form nano- and microstructures (droplets and channel networks) in ionic media impacting their heterogeneity. Such microscale domains can be employed as microreactors for chemical and enzymatic synthesis. In this review, we address known SIS systems and discuss their composition, structure, properties and dynamics. Special attention is paid to the current and potential applications of inorganic and organic SIS systems in energy research, chemistry and biochemistry. A separate section of this review is dedicated to experimental methods of SIS investigation, which is crucial for the development of this field.

  14. Designing Dietary Recommendations Using System Level Interactomics Analysis and Network-Based Inference

    Directory of Open Access Journals (Sweden)

    Tingting Zheng

    2017-09-01

    diet in disease development. Due to the complexity of analyzing the food composition and eating patterns of individuals our in silico analysis, using large-scale gene expression datasets and network-based topological features, may serve as a proof-of-concept in nutritional systems biology for identifying diet-disease relationships and subsequently designing dietary recommendations.

  15. Recommendations for designing and conducting veterinary clinical pathology biologic variation studies.

    Science.gov (United States)

    Freeman, Kathleen P; Baral, Randolph M; Dhand, Navneet K; Nielsen, Søren Saxmose; Jensen, Asger L

    2017-06-01

    The recent creation of a veterinary clinical pathology biologic variation website has highlighted the need to provide recommendations for future studies of biologic variation in animals in order to help standardize and improve the quality of published information and to facilitate review and selection of publications as standard references. The following recommendations are provided in the format and order commonly found in veterinary publications. A checklist is provided to aid in planning, implementing, and evaluating veterinary studies on biologic variation (Appendix S1). These recommendations provide a valuable resource for clinicians, laboratorians, and researchers interested in conducting studies of biologic variation and in determining the quality of studies of biologic variation in veterinary laboratory testing. © 2017 American Society for Veterinary Clinical Pathology.

  16. E-book recommender system design and implementation based on data mining

    Science.gov (United States)

    Wang, Zongjiang

    2011-12-01

    In the knowledge explosion, rapid development of information age, how quickly the user or users interested in useful information for feedback to the user problem to be solved in this article. This paper based on data mining, association rules to the model and classification model a combination of electronic books on the recommendation of the user's neighboring users interested in e-books to target users. Introduced the e-book recommendation and the key technologies, system implementation algorithms, and implementation process, was proved through experiments that this system can help users quickly find the required e-books.

  17. Accurate monitoring developed by EDF for FA-3-EPRTM and UK-EPRTM: chemistry-radiochemistry design and procedures

    International Nuclear Information System (INIS)

    Tigeras, Arancha; Bouhrizi, Sofia; Pierre, Marine; L'Orphelin, Jean-Matthieu

    2012-09-01

    The monitoring of chemistry and radiochemistry parameters is a fundamental need in nuclear power plants in order to ensure: - The reactivity control in real time, - The barrier integrity surveillance by means of the fuel cladding failures detection and the primary-pressure boundary components control, - The water quality to limit the radiation build-up and the material corrosion permitting to prepare the maintenance, radioprotection and waste operations. - The efficiency of treatment systems and hence the minimization of chemical and radiochemical substances discharges The relevant chemistry and radiochemistry parameters to be monitored are selected depending on the chemistry conditioning of systems, the source term evaluations, the corrosion mechanisms and the radioactivity consequences. In spite of the difficulties for obtaining representative samples under all circumstances, the EPR M design provides the appropriate provisions and analytical procedures for ensuring the reliable and accurate monitoring of parameters in compliance with the specification requirements. The design solutions, adopted for Flamanville 3-EPR M and UK-EPR M , concerning the sampling conditions and locations, the on-line and analytical equipment, the procedures and the results transmission to control room and chemistry laboratory are supported by ALARP considerations, international experience and researches concerning the nuclides behavior (corrosion product and actinides solubility, fission product degassing, impurities and additives reactions also). This paper details the means developed by EDF for making successful and meaningful sampling and measurements to achieve the essential objectives associated with the monitoring. (authors)

  18. Using Green Chemistry and Engineering Principles to Design, Assess, and Retrofit Chemical Processes for Sustainability

    Science.gov (United States)

    The concepts of green chemistry and engineering (GC&E) have been promoted as an effective qualitative framework for developing more sustainable chemical syntheses, processes, and material management techniques. This has been demonstrated by many theoretical and practical cases. I...

  19. Presidential Green Chemistry Challenge: 2016 Designing Greener Chemicals and Specific Environmental Benefit: Climate Change Awards

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2016 award winner, Newlight Technologies, developed a net carbon negative plastic made from methane-based GHG. It is cheaper than petroleum-based plastic; used to make cell phone cases, furniture, and other products.

  20. Design of a Real-Time and Continua-Based Framework for Care Guideline Recommendations

    Directory of Open Access Journals (Sweden)

    Yu-Feng Lin

    2014-04-01

    Full Text Available Telehealth is an important issue in the medical and healthcare domains. Although a number of systems have been developed to meet the demands of emerging telehealth services, the following problems still remain to be addressed: (1 most systems do not monitor/predict the vital signs states so that they are able to send alarms to caregivers in real-time; (2 most systems do not focus on reducing the amount of work that caregivers need to do, and provide patients with remote care; and (3 most systems do not recommend guidelines for caregivers. This study thus proposes a framework for a real-time and Continua-based Care Guideline Recommendation System (Cagurs which utilizes mobile device platforms to provide caregivers of chronic patients with real-time care guideline recommendations, and that enables vital signs data to be transmitted between different devices automatically, using the Continua standard. Moreover, the proposed system adopts the episode mining approach to monitor/predict anomalous conditions of patients, and then offers related recommended care guidelines to caregivers so that they can offer preventive care in a timely manner.

  1. Design of Ontology-Based Sharing Mechanism for Web Services Recommendation Learning Environment

    Science.gov (United States)

    Chen, Hong-Ren

    The number of digital learning websites is growing as a result of advances in computer technology and new techniques in web page creation. These sites contain a wide variety of information but may be a source of confusion to learners who fail to find the information they are seeking. This has led to the concept of recommendation services to help learners acquire information and learning resources that suit their requirements. Learning content like this cannot be reused by other digital learning websites. A successful recommendation service that satisfies a certain learner must cooperate with many other digital learning objects so that it can achieve the required relevance. The study proposes using the theory of knowledge construction in ontology to make the sharing and reuse of digital learning resources possible. The learning recommendation system is accompanied by the recommendation of appropriate teaching materials to help learners enhance their learning abilities. A variety of diverse learning components scattered across the Internet can be organized through an ontological process so that learners can use information by storing, sharing, and reusing it.

  2. Recommendations for codes and standards to be used for design and fabrication of high level waste canister

    International Nuclear Information System (INIS)

    Bermingham, A.J.; Booker, R.J.; Booth, H.R.; Ruehle, W.G.; Shevekov, S.; Silvester, A.G.; Tagart, S.W.; Thomas, J.A.; West, R.G.

    1978-01-01

    This study identifies codes, standards, and regulatory requirements for developing design criteria for high-level waste (HLW) canisters for commercial operation. It has been determined that the canister should be designed as a pressure vessel without provision for any overpressure protection type devices. It is recommended that the HLW canister be designed and fabricated to the requirements of the ASME Section III Code, Division 1 rules, for Code Class 3 components. Identification of other applicable industry and regulatory guides and standards are provided in this report. Requirements for the Design Specification are found in the ASME Section III Code. It is recommended that design verification be conducted principally with prototype testing which will encompass normal and accident service conditions during all phases of the canister life. Adequacy of existing quality assurance and licensing standards for the canister was investigated. One of the recommendations derived from this study is a requirement that the canister be N stamped. In addition, acceptance standards for the HLW waste should be established and the waste qualified to those standards before the canister is sealed. A preliminary investigation of use of an overpack for the canister has been made, and it is concluded that the use of an overpack, as an integral part of overall canister design, is undesirable, both from a design and economics standpoint. However, use of shipping cask liners and overpack type containers at the Federal repository may make the canister and HLW management safer and more cost effective. There are several possible concepts for canister closure design. These concepts can be adapted to the canister with or without an overpack. A remote seal weld closure is considered to be one of the most suitable closure methods; however, mechanical seals should also be investigated

  3. Revisiting the Fundamentals in the Design and Control of Nanoparticulate Colloids in the Frame of Soft Chemistry1

    OpenAIRE

    Uskoković, Vuk

    2013-01-01

    This review presents thoughts on some of the fundamental features of conceptual models applied in the design of fine particles in the frames of colloid and soft chemistry. A special emphasis is placed on the limitations of these models, an acknowledgment of which is vital in improving their intricacy and effectiveness in predicting the outcomes of the corresponding experimental settings. Thermodynamics of self-assembly phenomena illustrated on the examples of protein assembly and micellizatio...

  4. Recommendations for resolution of public comments on USI [Unresolved Safety Issues] A-40, ''Seismic Design Criteria''

    International Nuclear Information System (INIS)

    Philippacopoulos, A.J.

    1989-06-01

    In June 1988 the Nuclear Regulatory Commission (NRC) issued for public comment the proposed Revision 2 of the Standard Review Plan (SRP) Sections 2.5.2, 3.7.1, 3.7.2. and 3.7.3. Comments were received from six organizations. Brookhaven National Laboratory (BNL) was requested by NRC to provide expert consultation in the seismic and soil-structure interaction areas for the review and resolution of these comments. For this purpose, a panel of consultants was established to assist BNL with the review and evaluation of the public comments. This review was carried out during the period of October 1988 through January 1989. Many of the suggestions given in the public comments were found to be significant and a number of modifications to appropriate SRP sections are recommended. Other public comments were found to have no impact on the proposed Revision 2 of the SRP. Major changes are recommended to the SRP sections dealing with (a) Power Spectral Density (PSD) and ground motion requirements and (b) soil-structure interaction requirements. This report contains specific recommendations to NRC for resolution of the public comments made on the proposed Revision 2 of the SRP

  5. Design of Phase I Combination Trials: Recommendations of the Clinical Trial Design Task Force of the NCI Investigational Drug Steering Committee

    Science.gov (United States)

    Paller, Channing J.; Bradbury, Penelope A.; Ivy, S. Percy; Seymour, Lesley; LoRusso, Patricia M.; Baker, Laurence; Rubinstein, Larry; Huang, Erich; Collyar, Deborah; Groshen, Susan; Reeves, Steven; Ellis, Lee M.; Sargent, Daniel J.; Rosner, Gary L.; LeBlanc, Michael L.; Ratain, Mark J.

    2014-01-01

    Anticancer drugs are combined in an effort to treat a heterogeneous tumor or to maximize the pharmacodynamic effect. The development of combination regimens, while desirable, poses unique challenges. These include the selection of agents for combination therapy that may lead to improved efficacy while maintaining acceptable toxicity, the design of clinical trials that provide informative results for individual agents and combinations, and logistical and regulatory challenges. The phase 1 trial is often the initial step in the clinical evaluation of a combination regimen. In view of the importance of combination regimens and the challenges associated with developing them, the Clinical Trial Design (CTD) Task Force of the National Cancer Institute (NCI) Investigational Drug Steering Committee developed a set of recommendations for the phase 1 development of a combination regimen. The first two recommendations focus on the scientific rationale and development plans for the combination regimen; subsequent recommendations encompass clinical design aspects. The CTD Task Force recommends that selection of the proposed regimens be based on a biological or pharmacological rationale supported by clinical and/or robust and validated preclinical evidence, and accompanied by a plan for subsequent development of the combination. The design of the phase 1 clinical trial should take into consideration the potential pharmacokinetic and pharmacodynamic interactions as well as overlapping toxicity. Depending on the specific hypothesized interaction, the primary endpoint may be dose optimization, pharmacokinetics, and/or pharmacodynamic (i.e., biomarker). PMID:25125258

  6. The NASA Monographs on Shell Stability Design Recommendations: A Review and Suggested Improvements

    Science.gov (United States)

    Nemeth, Michael P.; Starnes, James H., Jr.

    1998-01-01

    A summary of the existing NASA design criteria monographs for the design of buckling-resistant thin-shell structures is presented. Subsequent improvements in the analysis for nonlinear shell response are reviewed, and current issues in shell stability analysis are discussed. Examples of nonlinear shell responses that are not included in the existing shell design monographs are presented, and an approach for including reliability-based analysis procedures in the shell design process is discussed. Suggestions for conducting future shell experiments are presented, and proposed improvements to the NASA shell design criteria monographs are discussed.

  7. OARSI Clinical Trials Recommendations: Design and conduct of clinical trials of lifestyle diet and exercise interventions for osteoarthritis.

    Science.gov (United States)

    Messier, S P; Callahan, L F; Golightly, Y M; Keefe, F J

    2015-05-01

    The objective was to develop a set of "best practices" for use as a primer for those interested in entering the clinical trials field for lifestyle diet and/or exercise interventions in osteoarthritis (OA), and as a set of recommendations for experienced clinical trials investigators. A subcommittee of the non-pharmacologic therapies committee of the OARSI Clinical Trials Working Group was selected by the Steering Committee to develop a set of recommended principles for non-pharmacologic diet/exercise OA randomized clinical trials. Topics were identified for inclusion by co-authors and reviewed by the subcommittee. Resources included authors' expert opinions, traditional search methods including MEDLINE (via PubMed), and previously published guidelines. Suggested steps and considerations for study methods (e.g., recruitment and enrollment of participants, study design, intervention and assessment methods) were recommended. The recommendations set forth in this paper provide a guide from which a research group can design a lifestyle diet/exercise randomized clinical trial in patients with OA. Copyright © 2015 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  8. Review of Japanese recommendations on design and construction of different classes of fiber reinforced concrete and application examples

    DEFF Research Database (Denmark)

    Uchida, Yuichi; Fischer, Gregor; Hishiki, Yoshihiro

    2008-01-01

    The development of concrete and cementitious composites with fiber reinforcement to improve the tensile load-deformation behavior has resulted in three distinct classes of materials. These include conventional Fiber Reinforced Concrete (FRC) with tension softening response, High Performance Fiber...... Reinforced Cement Composites (HPFRCC) with strain hardening and multiple cracking behavior, and Ultra High-strength Fiber Reinforced concrete (UFC) with increased tensile strength. The recommendations on the design, production, and application of these classes of fiber reinforced concrete have been...

  9. Design of Organic Transformations at Ambient Conditions: Our Sincere Efforts to the Cause of Green Chemistry Practice.

    Science.gov (United States)

    Brahmachari, Goutam

    2016-02-01

    This account summarizes our recent efforts in designing a good number of important organic transformations leading to the synthesis of biologically relevant compounds at room temperature and pressure. Currently, the concept of green chemistry is globally acclaimed and has already advanced quite significantly to emerge as a distinct branch of chemical sciences. Among the principles of green chemistry, one principle is dedicated to the "design of energy efficiency" - that is, to develop synthetic strategies that require less or the minimum amount of energy to carry out a specific reaction with optimum productivity - and the most effective way to save energy is to develop strategies/protocols that are capable enough to carry out the transformations at ambient temperature! As part of on-going developments in green synthetic strategies, the design of reactions under ambient conditions coupled with other green aspects is, thus, an area of current interest. The concept of developing reaction strategies at room temperature and pressure is now an emerging field of research in organic chemistry and is progressing steadily. This account is aimed to offer an overview of our recent research works directly related to this particular field of interest, and highlights the green chemistry practice leading to carbon-carbon and carbon-heteroatom bond-forming reactions of topical significance. Green synthetic routes to a variety of biologically relevant organic molecules (heterocyclic, heteroaromatic, alicyclic, acyclic, etc.) at room temperature and pressure are discussed. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Long-rod projectiles against oblique targets: analysis and design recommendations

    International Nuclear Information System (INIS)

    Norris, D.M.; McMaster, W.H.; Wilkins, M.L.

    1976-01-01

    Computer calculations provide an understanding of impact phenomena associated with long rod penetrators striking targets at oblique angles. The rod and target material behaviors are described by elastic-plastic work-hardening constitutive models. Ductile fracture is simulated by setting all tensile and shear stresses to zero when the calculated plastic deformation reaches a critical value. The important penetration material properties to defeat a given target are identified. There is no single material property of overriding importance; a combination of properties is required for an efficient penetrator. Experimental results are presented to demonstrate the effects of ductility and toughness on penetration performance. Recommendations for possible improvement are suggested

  11. Main propulsion system design recommendations for an advanced Orbit Transfer Vehicle

    Science.gov (United States)

    Redd, L.

    1985-01-01

    Various main propulsion system configurations of an advanced OTV are evaluated with respect to the probability of nonindependent failures, i.e., engine failures that disable the entire main propulsion system. Analysis of the life-cycle cost (LCC) indicates that LCC is sensitive to the main propulsion system reliability, vehicle dry weight, and propellant cost; it is relatively insensitive to the number of missions/overhaul, failures per mission, and EVA and IVA cost. In conclusion, two or three engines are recommended in view of their highest reliability, minimum life-cycle cost, and fail operational/fail safe capability.

  12. Synergistic Interplay of Medicinal Chemistry and Formulation Strategies in Nanotechnology - From Drug Discovery to Nanocarrier Design and Development.

    Science.gov (United States)

    Sunoqrot, Suhair; Hamed, Rania; Abdel-Halim, Heba; Tarawneh, Ola

    2017-01-01

    Over the last few decades, nanotechnology has given rise to promising new therapies and diagnostic tools for a wide range of diseases, especially cancer. The unique properties of nanocarriers such as liposomes, polymeric nanoparticles, micelles, and bioconjugates have mainly been exploited to enhance drug solubility, dissolution, and bioavailability. The most important advantage offered by nanotechnology is the ability to specifically target organs, tissues, and individual cells, which ultimately reduces the systemic side effects and improves the therapeutic index of drug molecules. The contribution of medicinal chemistry to nanotechnology is evident in the abundance of new active molecules that are being discovered but are faced with tremendous delivery challenges by conventional formulation strategies. Additionally, medicinal chemistry plays a crucial role in all the steps involved in the preparation of nanocarriers, where structure-activity relationships of the drug molecule as well as the nanocarrier are harnessed to enhance the design, efficacy, and safety of nanoformulations. The aim of this review is to provide an overview of the contributions of medicinal chemistry to nanotechnology, from supplying drug candidates and inspiring high-throughput nanocarrier design strategies, to structure-activity relationship elucidation and construction of computational models for better understanding of nanocarrier physicochemical properties and biological behavior. These two fields are undoubtedly interconnected and we will continue to see the fruits of that communion for years to come. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  13. Design, Implementation, and Evaluation of a Flipped Format General Chemistry Course

    Science.gov (United States)

    Weaver, Gabriela C.; SturtevantHannah G.

    2015-01-01

    Research has consistently shown that active problem-solving in a collaborative environment supports more effective learning than the traditional lecture approach. In this study, a flipped classroom format was implemented and evaluated in the chemistry majors' sequence at Purdue University over a period of three years. What was formerly lecture…

  14. Derivatization chemistry of the double-decker dicobalt sandwich ion targeted to design biologically active substances

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Švec, Petr; Hájková, Zuzana; Císařová, I.; Pokorná, Jana; Konvalinka, Jan

    2012-01-01

    Roč. 84, č. 11 (2012), s. 2243-2262 ISSN 0033-4545 R&D Projects: GA AV ČR IAAX00320901 Institutional support: RVO:61388980 ; RVO:61388963 Keywords : AIDS treatment * boranes * canastide ion * carboranes * dicarbollides * HIV -protease Subject RIV: CA - Inorganic Chemistry Impact factor: 3.386, year: 2012

  15. Designing a Study Abroad Course in Chemistry: Information from Three Different Courses to Europe

    Science.gov (United States)

    Marine, Susan Sonchik

    2013-01-01

    Guidelines for planning a study abroad course in chemistry start with defining the course objectives and outcomes. These, in turn, guide the choice of course content and format, location, length of travel, activities, and assessment. Budgetary issues include transportation, lodging, admission fees, activities, docents and guides (including audio…

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

    NARCIS (Netherlands)

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

    2010-01-01

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

  17. Improving chemistry performance in CANDU plants

    International Nuclear Information System (INIS)

    Turner, C.; Guzonas, D.

    2010-01-01

    There is a strong interplay between coolant chemistry and materials selection in any nuclear power plant system. To achieve the design life of reactor components it is necessary to monitor and control relevant chemistry parameters, such as ionic conductivity, pH, concentrations of dissolved ions and redox species (e.g., hydrogen, hydrazine, oxygen) and the concentrations of suspended corrosion products. Chemistry specifications are set to achieve a balance between the sometimes conflicting requirements to minimize corrosion and radiological dose and to minimize operating and maintenance costs over the lifetime of the plant. For the past decade, Atomic Energy of Canada Limited (AECL) has taken a rigorous and disciplined approach to reviewing and updating all aspects of chemistry control in the CANDU® nuclear power plant (NPP). This approach has included proactively reviewing chemistry operating experience from existing CANDU® and other water-cooled NPPs worldwide to identify and address emerging issues, updating all of our chemistry control documentation to ensure that each chemistry parameter is linked to a specific requirement (e.g., reduce activity transport, monitor for condenser leak) and incorporating the latest results from our Research and Development (R and D) programs to ensure that all chemistry specifications are supported by a sound rationale. The results of this review and update have been incorporated into updated chemistry specifications and, in some cases, modified operating procedures for new and existing plants. In addition, recommendations have been made for design modifications to improve chemistry control in new build plants, especially during periods of shutdown and startup when chemistry control has traditionally been more challenging. Chemistry control in new-build CANDU® plants will rely increasingly on the use of on-line instrumentation interfaced directly to AECL's state-of-the-art chemistry monitoring, diagnostics and analysis

  18. Earth Observatory Satellite system definition study. Report 3: Design cost trade-off studies and recommendations

    Science.gov (United States)

    1974-01-01

    An analysis of the design and cost tradeoff aspects of the Earth Observatory Satellite (EOS) development is presented. The design/cost factors that affect a series of mission/system level concepts are discussed. The subjects considered are as follows: (1) spacecraft subsystem cost tradeoffs, (2) ground system cost tradeoffs, and (3) program cost summary. Tables of data are provided to summarize the results of the analyses. Illustrations of the various spacecraft configurations are included.

  19. Osiris and SOMBRERO inertial fusion power plant designs - summary, conclusions, and recommendations

    International Nuclear Information System (INIS)

    Meier, Wayne R.

    1994-01-01

    An 18 month study to evaluate the potential of inertial fusion energy (IFE) for electric power production has been completed. The primary objective of the study was to provide the US Department of Energy with an evaluation of the potential of inertial fusion for electric power production. The study included the conceptual design of two inertial fusion power plants. Osiris uses an induction linac heavy ion beam driver, and SOMBRERO uses a krypton fluoride laser driver. Conceptual designs were completed for the reactors, power conversion and plant facilities, and drivers. Environmental and safety aspects, technical issues, technology development needs, and economics of the final point designs were assessed and compared. This paper summarizes the results and conclusions of the conceptual designs and results of the assessment studies. We conclude that IFE has the potential of producing technically credible designs with environmental, safety, and economics characteristics that are just as attractive as magnetic fusion. Realizing this potential will require additional research and development on target physics, chamber design, target production and injection systems, and drivers. ((orig.))

  20. Advanced power generation systems for the 21st Century: Market survey and recommendations for a design philosophy

    Energy Technology Data Exchange (ETDEWEB)

    Andriulli, J.B.; Gates, A.E.; Haynes, H.D.; Klett, L.B.; Matthews, S.N.; Nawrocki, E.A.; Otaduy, P.J.; Scudiere, M.B.; Theiss, T.J.; Thomas, J.F.; Tolbert, L.M.; Yauss, M.L.; Voltz, C.A.

    1999-11-01

    The purpose of this report is to document the results of a study designed to enhance the performance of future military generator sets (gen-sets) in the medium power range. The study includes a market survey of the state of the art in several key component areas and recommendations comprising a design philosophy for future military gen-sets. The market survey revealed that the commercial market is in a state of flux, but it is currently or will soon be capable of providing the technologies recommended here in a cost-effective manner. The recommendations, if implemented, should result in future power generation systems that are much more functional than today's gen-sets. The number of differing units necessary (both family sizes and frequency modes) to cover the medium power range would be decreased significantly, while the weight and volume of each unit would decrease, improving the transportability of the power source. Improved fuel economy and overall performance would result from more effective utilization of the prime mover in the generator. The units would allow for more flexibility and control, improved reliability, and more effective power management in the field.

  1. Interface design recommendations for computerised clinical audit and feedback: Hybrid usability evidence from a research-led system.

    Science.gov (United States)

    Brown, Benjamin; Balatsoukas, Panos; Williams, Richard; Sperrin, Matthew; Buchan, Iain

    2016-10-01

    Audit and Feedback (A&F) is a widely used quality improvement technique that measures clinicians' clinical performance and reports it back to them. Computerised A&F (e-A&F) system interfaces may consist of four key components: (1) Summaries of clinical performance; (2) Patient lists; (3) Patient-level data; (4) Recommended actions. There is a lack of evidence regarding how to best design e-A&F interfaces; establishing such evidence is key to maximising usability, and in turn improving patient safety. To evaluate the usability of a novel theoretically-informed and research-led e-A&F system for primary care (the Performance Improvement plaN GeneratoR: PINGR). (1) Describe PINGR's design, rationale and theoretical basis; (2) Identify usability issues with PINGR; (3) Understand how these issues may interfere with the cognitive goals of end-users; (4) Translate the issues into recommendations for the user-centred design of e-A&F systems. Eight experienced health system evaluators performed a usability inspection using an innovative hybrid approach consisting of five stages: (1) Development of representative user tasks, Goals, and Actions; (2) Combining Heuristic Evaluation and Cognitive Walkthrough methods into a single protocol to identify usability issues; (3) Consolidation of issues; (4) Severity rating of consolidated issues; (5) Analysis of issues according to usability heuristics, interface components, and Goal-Action structure. A final list of 47 issues were categorised into 8 heuristic themes. The most error-prone heuristics were 'Consistency and standards' (13 usability issues; 28% of the total) and 'Match between system and real world' (n=10, 21%). The recommended actions component of the PINGR interface had the most usability issues (n=21, 45%), followed by patient-level data (n=5, 11%), patient lists (n=4, 9%), and summaries of clinical performance (n=4, 9%). The most error-prone Actions across all user Goals were: (1) Patient selection from a list; (2) Data

  2. Modeling in the quality by design environment: Regulatory requirements and recommendations for design space and control strategy appointment.

    Science.gov (United States)

    Djuris, Jelena; Djuric, Zorica

    2017-11-30

    Mathematical models can be used as an integral part of the quality by design (QbD) concept throughout the product lifecycle for variety of purposes, including appointment of the design space and control strategy, continual improvement and risk assessment. Examples of different mathematical modeling techniques (mechanistic, empirical and hybrid) in the pharmaceutical development and process monitoring or control are provided in the presented review. In the QbD context, mathematical models are predominantly used to support design space and/or control strategies. Considering their impact to the final product quality, models can be divided into the following categories: high, medium and low impact models. Although there are regulatory guidelines on the topic of modeling applications, review of QbD-based submission containing modeling elements revealed concerns regarding the scale-dependency of design spaces and verification of models predictions at commercial scale of manufacturing, especially regarding real-time release (RTR) models. Authors provide critical overview on the good modeling practices and introduce concepts of multiple-unit, adaptive and dynamic design space, multivariate specifications and methods for process uncertainty analysis. RTR specification with mathematical model and different approaches to multivariate statistical process control supporting process analytical technologies are also presented. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Design of SGLT2 Inhibitors for the Treatment of Type 2 Diabetes: A History Driven by Biology to Chemistry.

    Science.gov (United States)

    Cai, Wenqing; Jiang, Linlin; Xie, Yafei; Liu, Yuqiang; Liu, Wei; Zhao, Guilong

    2015-01-01

    A brief history of the design of sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors is reviewed. The design of O-glucoside SGLT2 inhibitors by structural modification of phlorizin, a naturally occurring O-glucoside, in the early stage was a process mainly driven by biology with anticipation of improving SGLT2/SGLT1 selectivity and increasing metabolic stability. Discovery of dapagliflozin, a pioneering C-glucoside SGLT2 inhibitor developed by Bristol-Myers Squibb, represents an important milestone in this history. In the second stage, the design of C-glycoside SGLT2 inhibitors by modifications of the aglycone and glucose moiety of dapagliflozin, an original structural template for almost all C-glycoside SGLT2 inhibitors, was mainly driven by synthetic organic chemistry due to the challenge of designing dapagliflozin derivatives that are patentable, biologically active and synthetically accessible. Structure-activity relationships (SAR) of the SGLT2 inhibitors are also discussed.

  4. Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples.

    Science.gov (United States)

    van Dam, Hubertus J J; Vishnu, Abhinav; de Jong, Wibe A

    2011-01-11

    In the past couple of decades, the massive computational power provided by the most modern supercomputers has resulted in simulation of higher-order computational chemistry methods, previously considered intractable. As the system sizes continue to increase, the computational chemistry domain continues to escalate this trend using parallel computing with programming models such as Message Passing Interface (MPI) and Partitioned Global Address Space (PGAS) programming models such as Global Arrays. The ever increasing scale of these supercomputers comes at a cost of reduced Mean Time Between Failures (MTBF), currently on the order of days and projected to be on the order of hours for upcoming extreme scale systems. While traditional disk-based check pointing methods are ubiquitous for storing intermediate solutions, they suffer from high overhead of writing and recovering from checkpoints. In practice, checkpointing itself often brings the system down. Clearly, methods beyond checkpointing are imperative to handling the aggravating issue of reducing MTBF. In this paper, we address this challenge by designing and implementing an efficient fault tolerant version of the Coupled Cluster (CC) method with NWChem, using in-memory data redundancy. We present the challenges associated with our design, including an efficient data storage model, maintenance of at least one consistent data copy, and the recovery process. Our performance evaluation without faults shows that the current design exhibits a small overhead. In the presence of a simulated fault, the proposed design incurs negligible overhead in comparison to the state of the art implementation without faults.

  5. Research design considerations for chronic pain prevention clinical trials: IMMPACT recommendations.

    Science.gov (United States)

    Gewandter, Jennifer S; Dworkin, Robert H; Turk, Dennis C; Farrar, John T; Fillingim, Roger B; Gilron, Ian; Markman, John D; Oaklander, Anne Louise; Polydefkis, Michael J; Raja, Srinivasa N; Robinson, James P; Woolf, Clifford J; Ziegler, Dan; Ashburn, Michael A; Burke, Laurie B; Cowan, Penney; George, Steven Z; Goli, Veeraindar; Graff, Ole X; Iyengar, Smriti; Jay, Gary W; Katz, Joel; Kehlet, Henrik; Kitt, Rachel A; Kopecky, Ernest A; Malamut, Richard; McDermott, Michael P; Palmer, Pamela; Rappaport, Bob A; Rauschkolb, Christine; Steigerwald, Ilona; Tobias, Jeffrey; Walco, Gary A

    2015-07-01

    Although certain risk factors can identify individuals who are most likely to develop chronic pain, few interventions to prevent chronic pain have been identified. To facilitate the identification of preventive interventions, an IMMPACT meeting was convened to discuss research design considerations for clinical trials investigating the prevention of chronic pain. We present general design considerations for prevention trials in populations that are at relatively high risk for developing chronic pain. Specific design considerations included subject identification, timing and duration of treatment, outcomes, timing of assessment, and adjusting for risk factors in the analyses. We provide a detailed examination of 4 models of chronic pain prevention (ie, chronic postsurgical pain, postherpetic neuralgia, chronic low back pain, and painful chemotherapy-induced peripheral neuropathy). The issues discussed can, in many instances, be extrapolated to other chronic pain conditions. These examples were selected because they are representative models of primary and secondary prevention, reflect persistent pain resulting from multiple insults (ie, surgery, viral infection, injury, and toxic or noxious element exposure), and are chronically painful conditions that are treated with a range of interventions. Improvements in the design of chronic pain prevention trials could improve assay sensitivity and thus accelerate the identification of efficacious interventions. Such interventions would have the potential to reduce the prevalence of chronic pain in the population. Additionally, standardization of outcomes in prevention clinical trials will facilitate meta-analyses and systematic reviews and improve detection of preventive strategies emerging from clinical trials.

  6. Incorporating Army Design Methodology into Army Operations: Barriers and Recommendations for Facilitating Integration

    Science.gov (United States)

    2012-03-01

    interactively complex systems must be systemic, rather than reductionist, and qualitative rather than quantitative , and must use different heuristic...traditional approach and the military culture more broadly, and post- positivism that characterizes Design. He argues that the military culture is

  7. Mineralizing urban net-zero water treatment: Phase II field results and design recommendations

    Science.gov (United States)

    Net-zero water (NZW) systems, or water management systems achieving high recycling rates and low residuals generation so as to avoid water import and export, can also conserve energy used to heat and convey water, while economically restoring local eco-hydrology. However, design ...

  8. Ergonomic evaluation of interior design of Shoka vehicle and proposing recommendations for improvement.

    Science.gov (United States)

    Mazloumi, Adel; Mohammadreze, Fallah

    2012-01-01

    One of the applications of ergonomics disciplinary is designing driver workstation compatible to users' characteristics. The aim of this study was evaluation of interior design of Shoka vehicle with respect to the accommodation for Iranian population and proposing suggestions for customizing design of this vehicle. This study was a descriptive-analytical study conducted among thirty men from Iranian drivers population in 5, 50, 95 percentiles of the stature variable. Objective variables related to the occupant packaging and vehicle visual aspects including anthropometric variables, frontal, lateral, and side view and so on were investigated first. Then, subjective variables related to the driver mental workload and body comfort discomfort were studied using BMDMW and comfort questionnaires during 2-hour driving trial sessions. Occupant packaging variables and hand-arm angle showed the least accommodation percent (%53). Seating angles showed low accommodation as well (%73). Among three percentile groups there were no significant differences between the mean values of mental workload during two hours driving task. And, the mean value related to the comfort discomfort was 3.9 during driving sessions. Considering the findings in this study, it can be conclude that seating angles need correction and optimization. Taking mental workload results into account, it can be concluded that the interior design of the studied car had no influence on drivers' mental workload. From the aspect of comfort discomfort, Shoka vehicle showed neutral state among drivers. Optimizing seating angles, decreasing vibration, correcting stiffness of seating pan are suggested for customization of the ergonomics aspect of this vehicle.

  9. Ethical Issues in Designing Internet-Based Research: Recommendations for Good Practice

    Science.gov (United States)

    Gupta, Shikha

    2017-01-01

    This article presents an overview of internet-based research, highlighting the absence of a standard terminology to define and classify such research. The label internet-based research or online research can cover a diverse range of research designs and methods, involving different degrees of ethical concern regarding privacy, transparency,…

  10. Design recommendations for the optimized continuity diaphragm for prestressed concrete bulb-T beams.

    Science.gov (United States)

    2008-01-01

    This research focused on prestressed concrete bulb-T (PCBT) beams made composite with a cast-in-place concrete deck and continuous over several spans through the use of continuity diaphragms. The current design procedure in AASHTO states that a conti...

  11. Recommendations for the design and the installation of large laser scanning microscopy systems

    Science.gov (United States)

    Helm, P. Johannes

    2012-03-01

    Laser Scanning Microscopy (LSM) has since the inventions of the Confocal Scanning Laser Microscope (CLSM) and the Multi Photon Laser Scanning Microscope (MPLSM) developed into an essential tool in contemporary life science and material science. The market provides an increasing number of turn-key and hands-off commercial LSM systems, un-problematic to purchase, set up and integrate even into minor research groups. However, the successful definition, financing, acquisition, installation and effective use of one or more large laser scanning microscopy systems, possibly of core facility character, often requires major efforts by senior staff members of large academic or industrial units. Here, a set of recommendations is presented, which are helpful during the process of establishing large systems for confocal or non-linear laser scanning microscopy as an effective operational resource in the scientific or industrial production process. Besides the description of technical difficulties and possible pitfalls, the article also illuminates some seemingly "less scientific" processes, i.e. the definition of specific laboratory demands, advertisement of the intention to purchase one or more large systems, evaluation of quotations, establishment of contracts and preparation of the local environment and laboratory infrastructure.

  12. OARSI Clinical Trials Recommendations: Design and conduct of clinical trials of rehabilitation interventions for osteoarthritis.

    Science.gov (United States)

    Fitzgerald, G K; Hinman, R S; Zeni, J; Risberg, M A; Snyder-Mackler, L; Bennell, K L

    2015-05-01

    A Task Force of the Osteoarthritis Research Society International (OARSI) has previously published a set of guidelines for the conduct of clinical trials in osteoarthritis (OA) of the hip and knee. Limited material available on clinical trials of rehabilitation in people with OA has prompted OARSI to establish a separate Task Force to elaborate guidelines encompassing special issues relating to rehabilitation of OA. The Task Force identified three main categories of rehabilitation clinical trials. The categories included non-operative rehabilitation trials, post-operative rehabilitation trials, and trials examining the effectiveness of devices (e.g., assistive devices, bracing, physical agents, electrical stimulation, etc.) that are used in rehabilitation of people with OA. In addition, the Task Force identified two main categories of outcomes in rehabilitation clinical trials, which include outcomes related to symptoms and function, and outcomes related to disease modification. The guidelines for rehabilitation clinical trials provided in this report encompass these main categories. The report provides guidelines for conducting and reporting on randomized clinical trials. The topics include considerations for entering patients into trials, issues related to conducting trials, considerations for selecting outcome measures, and recommendations for statistical analyses and reporting of results. The focus of the report is on rehabilitation trials for hip, knee and hand OA, however, we believe the content is broad enough that it could be applied to rehabilitation trials for other regions as well. Copyright © 2015 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  13. Advanced Chemistry Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  14. Advanced energy design and operation technologies research: Recommendations for a US Department of Energy multiyear program plan

    Energy Technology Data Exchange (ETDEWEB)

    Brambley, M.R.; Crawley, D.B.; Hostetler, D.D.; Stratton, R.C.; Addision, M.S.; Deringer, J.J.; Hall, J.D.; Selkowitz, S.E.

    1988-12-01

    This document describes recommendations for a multiyear plan developed for the US Department of Energy (DOE) as part of the Advanced Energy Design and Operation Technologies (AEDOT) project. The plan is an outgrowth of earlier planning activities conducted for DOE as part of design process research under the Building System Integration Program (BSIP). The proposed research will produce intelligent computer-based design and operation technologies for commercial buildings. In this document, the concept is explained, the need for these new computer-based environments is discussed, the benefits are described, and a plan for developing the AEDOT technologies is presented for the 9-year period beginning FY 1989. 45 refs., 37 figs., 9 tabs.

  15. Anthropometric evaluation and recommendation for primary schools classroom furniture design in Perlis

    Science.gov (United States)

    Shan, Lim Shaiu; Jing, Ewe Hui; Effendi, M. S. M.; Rosli, Muhamad Farizuan

    2017-09-01

    This study was carried out with the objective to obtain the anthropometric data of primary school children from Year 1 to Year 6 and evaluate the children's anthropometry with the current dimensions of classroom furniture (i.e. chair and table). In addition, this study also proposed the design dimensions for the improvement in classroom furniture design with the consideration of children's anthropometric data. A total of 390 children selected from 13 primary schools in Perlis, Malaysia were participated in this study. There were 11 anthropometric measurements of children have been measured in this study, which include stature (St), popliteal height (PH), knee height (KH), thigh thickness (TT), buttock popliteal length (BPL), hip breadth (HB), sitting shoulder height (SSH), sitting elbow height (SEH), forearm-hand length (FHL), height of lumbar point (HLP) and buttock clearance (BC). Besides that, 7 dimensions relating to current classroom chair have been measured, such as seat height (SH), seat depth (SD), seat width (SW), upper edge of backrest (UEB), lower edge of backrest (LEB), S point (SP), overall chair height (OCH). Another 5 dimensions of the existing classroom table have been measured too, which involve table height (TH), table depth (TD), table width (TW), under table height (UH) and seat to table clearance (STC). All the measurements were performed by using metal measuring tape. The anthropometric data of the children were analyzed with the help of Microsoft Excel 2013. Several equations with associated with the anthropometric data and furniture dimensions have been applied in this research. The new design dimensions for classroom furniture that proposed in this paper which based on the collected anthropometric data can be referred as a guideline for classroom furniture design. The implementation of these data may help to create comfortability, safety, suitability and improve performance of children in the classroom.

  16. Framing a program designed to train new chemistry/physics teachers for California outlying regions

    Science.gov (United States)

    Bodily, Gerald P., Jr.

    The purpose of this study was to develop guidelines for a new high school chemistry and physics teacher training program. Eleven participants were interviewed who attended daylong workshops, every other Saturday, for 10 months. The instructors used Modeling Instruction pedagogy and curriculum. All the instructors had high school teaching experience, but only one possessed a doctorate degree. The interview questions focused on four themes: motivation, epistemology, meta-cognition, and self-regulation; and the resulting transcripts were analyzed using a methodology called Interpretive Phenomenological Analysis. The cases expressed a strong preference for the program's instruction program over learning subject matter knowledge in university classrooms. The data indicated that the cases, as a group, were disciplined scholars seeking a deep understanding of the subject matter knowledge needed to teach high school chemistry and physics. Based on these results a new approach to training teachers was proposed, an approach that offers novel answers to the questions of how and who to train as science teachers. The how part of the training involves using a program called Modeling Instruction. Modeling instruction is currently used to upgrade experienced science teachers and, in the new approach, replaces the training traditionally administered by professional scientists in university science departments. The who aspect proposes that the participants be college graduates, selected not for university science training, but for their high school math and science background. It is further proposed that only 10 months of daily, face-to-face instruction is required to move the learner to a deep understanding of subject matter knowledge required to teach high school chemistry and physics. Two outcomes are sought by employing this new training paradigm, outcomes that have been unachievable by current educational practices. First, it is hoped that new chemistry and physics teachers can

  17. Internal medicine residency training for unhealthy alcohol and other drug use: recommendations for curriculum design

    Science.gov (United States)

    2010-01-01

    Background Unhealthy substance use is the spectrum from use that risks harm, to use associated with problems, to the diagnosable conditions of substance abuse and dependence, often referred to as substance abuse disorders. Despite the prevalence and impact of unhealthy substance use, medical education in this area remains lacking, not providing physicians with the necessary expertise to effectively address one of the most common and costly health conditions. Medical educators have begun to address the need for physician training in unhealthy substance use, and formal curricula have been developed and evaluated, though broad integration into busy residency curricula remains a challenge. Discussion We review the development of unhealthy substance use related competencies, and describe a curriculum in unhealthy substance use that integrates these competencies into internal medicine resident physician training. We outline strategies to facilitate adoption of such curricula by the residency programs. This paper provides an outline for the actual implementation of the curriculum within the structure of a training program, with examples using common teaching venues. We describe and link the content to the core competencies mandated by the Accreditation Council for Graduate Medical Education, the formal accrediting body for residency training programs in the United States. Specific topics are recommended, with suggestions on how to integrate such teaching into existing internal medicine residency training program curricula. Summary Given the burden of disease and effective interventions available that can be delivered by internal medicine physicians, teaching about unhealthy substance use must be incorporated into internal medicine residency training, and can be done within existing teaching venues. PMID:20230607

  18. Recommended survey designs for occupancy modelling using motion-activated cameras: insights from empirical wildlife data

    Directory of Open Access Journals (Sweden)

    Graeme Shannon

    2014-08-01

    Full Text Available Motion-activated cameras are a versatile tool that wildlife biologists can use for sampling wild animal populations to estimate species occurrence. Occupancy modelling provides a flexible framework for the analysis of these data; explicitly recognizing that given a species occupies an area the probability of detecting it is often less than one. Despite the number of studies using camera data in an occupancy framework, there is only limited guidance from the scientific literature about survey design trade-offs when using motion-activated cameras. A fuller understanding of these trade-offs will allow researchers to maximise available resources and determine whether the objectives of a monitoring program or research study are achievable. We use an empirical dataset collected from 40 cameras deployed across 160 km2 of the Western Slope of Colorado, USA to explore how survey effort (number of cameras deployed and the length of sampling period affects the accuracy and precision (i.e., error of the occupancy estimate for ten mammal and three virtual species. We do this using a simulation approach where species occupancy and detection parameters were informed by empirical data from motion-activated cameras. A total of 54 survey designs were considered by varying combinations of sites (10–120 cameras and occasions (20–120 survey days. Our findings demonstrate that increasing total sampling effort generally decreases error associated with the occupancy estimate, but changing the number of sites or sampling duration can have very different results, depending on whether a species is spatially common or rare (occupancy = ψ and easy or hard to detect when available (detection probability = p. For rare species with a low probability of detection (i.e., raccoon and spotted skunk the required survey effort includes maximizing the number of sites and the number of survey days, often to a level that may be logistically unrealistic for many studies. For common

  19. Adaptive and Adaptable Automation Design: A Critical Review of the Literature and Recommendations for Future Research

    Science.gov (United States)

    Prinzel, Lawrence J., III; Kaber, David B.

    2006-01-01

    This report presents a review of literature on approaches to adaptive and adaptable task/function allocation and adaptive interface technologies for effective human management of complex systems that are likely to be issues for the Next Generation Air Transportation System, and a focus of research under the Aviation Safety Program, Integrated Intelligent Flight Deck Project. Contemporary literature retrieved from an online database search is summarized and integrated. The major topics include the effects of delegation-type, adaptable automation on human performance, workload and situation awareness, the effectiveness of various automation invocation philosophies and strategies to function allocation in adaptive systems, and the role of user modeling in adaptive interface design and the performance implications of adaptive interface technology.

  20. Commercial off-the-shelf consumer health informatics interventions: recommendations for their design, evaluation and redesign.

    Science.gov (United States)

    Marquard, Jenna L; Zayas-Cabán, Teresa

    2012-01-01

    The goal of this paper is to describe the successful application of a use case-based evaluation approach to guide the effective design, evaluation and redesign of inexpensive, commercial, off-the-shelf consumer health informatics (CHI) interventions. Researchers developed four CHI intervention use cases representing two distinct patient populations (patients with diabetes with high blood pressure, post-bariatric surgery patients), two commercial off-the-shelf CHI applications (Microsoft HealthVault, Google Health), and related devices (blood pressure monitor, pedometer, weight scale). Three patient proxies tested each intervention for 10 days. The patient proxies recorded their challenges while completing use case tasks, rating the severity of each challenge based on how much it hindered their use of the intervention. Two independent evaluators categorized the challenges by human factors domain (physical, cognitive, macroergonomic). The use case-based approach resulted in the identification of 122 challenges, with 12% physical, 50% cognitive and 38% macroergonomic. Thirty-nine challenges (32%) were at least moderately severe. Nine of 22 use case tasks (41%) accounted for 72% of the challenges. The study used two patient proxies and addressed two specific patient populations and low-cost, off-the-shelf CHI interventions, which may not perfectly generalize to a larger number of proxies, actual patient populations, or other CHI interventions. CHI designers can employ the use case-based evaluation approach to assess the fit of a CHI intervention with patients' health work, in the context of their daily activities and environment, which would be difficult or impossible to evaluate by laboratory-based studies.

  1. Parametric Flutter Analysis of the TCA Configuration and Recommendation for FFM Design and Scaling

    Science.gov (United States)

    Baker, Myles; Lenkey, Peter

    1997-01-01

    The current HSR Aeroelasticity plan to design, build, and test a full span, free flying transonic flutter model in the TDT has many technical obstacles that must be overcome for a successful program. One technical obstacle is the determination of a suitable configuration and point in the sky to use in setting the scaling point for the ASE models program. Determining this configuration and point in the sky requires balancing several conflicting requirements, including model buildability, tunnel test safety, and the ability of the model to represent the flutter mechanisms of interest. As will be discussed in detail in subsequent sections, the current TCA design exhibits several flutter mechanisms of interest. It has been decided that the ASE models program will focus on the low frequency symmetric flutter mechanism, and will make no attempt to investigate high frequency flutter mechanisms. There are several reasons for this choice. First, it is believed that the high frequency flutter mechanisms are similar in nature to classical wing bending/torsion flutter, and therefore there is more confidence that this mechanism can be predicted using current techniques. The low frequency mode, on the other hand, is a highly coupled mechanism involving wing, body, tail, and engine motion which may be very difficult to predict. Second, the high frequency flutter modes result in very small weight penalties (several hundred pounds), while suppression of the low frequency mechanism inside the flight envelope causes thousands of pounds to be added to the structure. In order to successfully test the low frequency flutter mode of interest, a suitable starting configuration and point in the sky must be identified. The configuration and point in the sky must result in a wind tunnel model that (1) represents the low-frequency wing/body/engine/empennage flutter mechanisms that are unique to HSCT configurations, (2) flutters at an acceptably low frequency in the tunnel, (3) flutters at an

  2. Perspectives of increasing energy efficiency on designing new and reconstruction of present city districts: World experiences and local recommendations

    Directory of Open Access Journals (Sweden)

    Pucar Mila

    2006-01-01

    Full Text Available With 20th century along came a significant increase of energy consumption and a serious ecological crisis caused by the extensive usage of fossil fuels (oil, coal. Because of that, many countries have declared regulations to lower the traditional energy consumption and to stimulate usage of renewable energy sources. This problem is particularly evident in residential buildings sector, because over 50% of the overall energy produced is slinked in this way. This paper gives methodological recommendations regarding the principles of energy efficient housing and general comfort improvement as well as evident advantages of passive solar panels compared to traditional energy sources (fossil fuels. These possibilities are considered in two different scenarios: reconstruction of already built city blocks, and energy efficient implementation in case of brand new structures. This paper considers two different case studies, one reconstructive - a city block in France, built in the mid 60’s and the other of energy efficient settlement in Greece "Solar Village", built in the 80’s, which was designed by bioclimatic principles from the very beginning. Energy efficient planning and design methodological recommendations based on these two examples are regarding the New Belgrade block 7/3, which has been built in the 50’s.

  3. User interface design for mobile-based sexual health interventions for young people: design recommendations from a qualitative study on an online Chlamydia clinical care pathway.

    Science.gov (United States)

    Gkatzidou, Voula; Hone, Kate; Sutcliffe, Lorna; Gibbs, Jo; Sadiq, Syed Tariq; Szczepura, Ala; Sonnenberg, Pam; Estcourt, Claudia

    2015-08-26

    The increasing pervasiveness of mobile technologies has given potential to transform healthcare by facilitating clinical management using software applications. These technologies may provide valuable tools in sexual health care and potentially overcome existing practical and cultural barriers to routine testing for sexually transmitted infections. In order to inform the design of a mobile health application for STIs that supports self-testing and self-management by linking diagnosis with online care pathways, we aimed to identify the dimensions and range of preferences for user interface design features among young people. Nine focus group discussions were conducted (n = 49) with two age-stratified samples (16 to 18 and 19 to 24 year olds) of young people from Further Education colleges and Higher Education establishments. Discussions explored young people's views with regard to: the software interface; the presentation of information; and the ordering of interaction steps. Discussions were audio recorded and transcribed verbatim. Interview transcripts were analysed using thematic analysis. Four over-arching themes emerged: privacy and security; credibility; user journey support; and the task-technology-context fit. From these themes, 20 user interface design recommendations for mobile health applications are proposed. For participants, although privacy was a major concern, security was not perceived as a major potential barrier as participants were generally unaware of potential security threats and inherently trusted new technology. Customisation also emerged as a key design preference to increase attractiveness and acceptability. Considerable effort should be focused on designing healthcare applications from the patient's perspective to maximise acceptability. The design recommendations proposed in this paper provide a valuable point of reference for the health design community to inform development of mobile-based health interventions for the diagnosis

  4. Recommended guideline for designing and interpreting of Ramadan fasting studies in medical research

    Directory of Open Access Journals (Sweden)

    Zhaleh Shadman

    2015-12-01

    Full Text Available Ramadan fasting is specific intermittent fasting comprising significant changes in routine lifestyle pattern and may affect body homeostasis and metabolism. In spite of several studies conducted on the effects of Ramadan fasting on various aspects of health and disease, because of heterogeneity in methodology and procedures (sometimes inevitable, a comprehensive concluding for reliable results as in most conditions is impossible. Based on basic studies and those have been conducted in this field, this paper suggests a checklist contains, as far as possible, important factors to be considered in designing, interpreting and comparing the results of Ramadan fasting studies. Accordingly, circadian rhythm, season/latitude sensitivity, serum osmolarity and, lifestyle changes (including dietary intakes, physical activity, sleep quality and duration, smoking and, etc. may be of great importance. Also, a close definition of the number of fasting days and it consecutively or alternatively must be presented with reference to sex. Appropriate time points for blood/urine sampling would be varied case by case.

  5. The multiple roles of computational chemistry in fragment-based drug design

    Science.gov (United States)

    Law, Richard; Barker, Oliver; Barker, John J.; Hesterkamp, Thomas; Godemann, Robert; Andersen, Ole; Fryatt, Tara; Courtney, Steve; Hallett, Dave; Whittaker, Mark

    2009-08-01

    Fragment-based drug discovery (FBDD) represents a change in strategy from the screening of molecules with higher molecular weights and physical properties more akin to fully drug-like compounds, to the screening of smaller, less complex molecules. This is because it has been recognised that fragment hit molecules can be efficiently grown and optimised into leads, particularly after the binding mode to the target protein has been first determined by 3D structural elucidation, e.g. by NMR or X-ray crystallography. Several studies have shown that medicinal chemistry optimisation of an already drug-like hit or lead compound can result in a final compound with too high molecular weight and lipophilicity. The evolution of a lower molecular weight fragment hit therefore represents an attractive alternative approach to optimisation as it allows better control of compound properties. Computational chemistry can play an important role both prior to a fragment screen, in producing a target focussed fragment library, and post-screening in the evolution of a drug-like molecule from a fragment hit, both with and without the available fragment-target co-complex structure. We will review many of the current developments in the area and illustrate with some recent examples from successful FBDD discovery projects that we have conducted.

  6. Radiation chemistry

    International Nuclear Information System (INIS)

    Rodgers, F.; Rodgers, M.A.

    1987-01-01

    The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

  7. Designing and Developing a Novel Hybrid Adaptive Learning Path Recommendation System (ALPRS) for Gamification Mathematics Geometry Course

    Science.gov (United States)

    Su, Chung-Ho

    2017-01-01

    Since recommendation systems possess the advantage of adaptive recommendation, they have gradually been applied to e-learning systems to recommend subsequent learning content for learners. However, problems exist in current learning recommender systems available to students in that they are often general learning content and unable to offer…

  8. Design performances and chemistry program supporting the FA3/UK-EPR (TM) Activity Management: Experience and Modelling Balance

    International Nuclear Information System (INIS)

    Tigeras, A.; Bachet, M.; Bremmes, O.; Berger, M.; Clinard, M.H.; Jolivet, P.; Chahma, F.

    2012-01-01

    Several methodologies have been applied to evaluate the source term in the primary circuit and to define the appropriate chemistry conditioning for the EPR reactor. These methodologies are based on nuclear power plant (NPP) feedback experience, laboratory data and modelling considerations. It is concluded that the activity risks are understood and can be managed with EPR design options. A strategy for the chemical conditioning of the primary coolant has been defined through the specifications for 3 parameters: pH, Zn and H 2 whose target and limit values are based on NPP feedback, international experimental data from laboratory tests, theoretical studies and numerical simulations. The material inventory selected for the primary components will allow low dose rates and low crud formation despite the high power level of the EPR reactor

  9. Toward the Target Model 2.0. Policy Recommendations for a Sustainable EU Power Market Design. Executive summary

    International Nuclear Information System (INIS)

    Roques, Fabien; Perekhodtsev, Dmitri; Verhaeghe, Charles

    2015-06-01

    One of the 10 key priorities of the new European Commission President Jean-Claude Juncker consists of 'reform(ing) and reorganis(ing) Europe's energy policy into a new European Energy Union'. The Energy Union work programme released on 25 February 2015 suggests that a new electricity market design is needed in order to tackle Europe's chosen policy objectives of de-carbonisation whilst maintaining security of supply. The current regulatory and market framework does not provide a sound basis for the investments needed to maintain security of supply and de-carbonise the power sector at an affordable cost. As policy priorities in favour of de-carbonisation and maintaining security of supply have taken centre stage on the policy agenda in the past decade, the design of liberalised electricity markets has failed to evolve and be reconciled with these new priorities. In addition, the issues of competitiveness and affordability of electricity in Europe remain central in the discussions about the market framework. The objective of this study is to assess the deficiencies and gaps in the current European Target Model and the wider regulatory framework for power generation and to propose a number of policy recommendations for improvement. Recognising the need for 'fresh thinking' on the issue, this study looks outside Europe to learn the lessons from experiences with a range of alternative market designs that exist around the globe. The study provides a comprehensive assessment of the issues with current European electricity markets. The study investigates the lessons from market reforms in North America and in Latin America in the past decade to identify 'out of the box' thinking to fill the gaps in the current European Target model. This report presents some of the research findings and concludes with a set of alternative potential directions for reform of European power markets models in the long term, as well as a number of

  10. Designing a Self-Management App for Young People With Type 1 Diabetes: Methodological Challenges, Experiences, and Recommendations.

    Science.gov (United States)

    Castensøe-Seidenfaden, Pernille; Reventlov Husted, Gitte; Teilmann, Grete; Hommel, Eva; Olsen, Birthe Susanne; Kensing, Finn

    2017-10-23

    Young people with type 1 diabetes often struggle to self-manage their disease. Mobile health (mHealth) apps show promise in supporting self-management of chronic conditions such as type 1 diabetes. Many health care providers become involved in app development. Unfortunately, limited information is available to guide their selection of appropriate methods, techniques, and tools for a participatory design (PD) project in health care. The aim of our study was to develop an mHealth app to support young people in self-managing type 1 diabetes. This paper presents our methodological recommendations based on experiences and reflections from a 2-year research study. A mixed methods design was used to identify user needs before designing the app and testing it in a randomized controlled trial. App design was based on qualitative, explorative, interventional, and experimental activities within an overall iterative PD approach. Several techniques and tools were used, including workshops, a mail panel, think-aloud tests, and a feasibility study. The final mHealth solution was "Young with Diabetes" (YWD). The iterative PD approach supported researchers and designers in understanding the needs of end users (ie, young people, parents, and health care providers) and their assessment of YWD, as well as how to improve app usability and feasibility. It is critical to include all end user groups during all phases of a PD project and to establish a multidisciplinary team to provide the wide range of expertise required to build a usable and useful mHealth app. Future research is needed to develop and evaluate more efficient PD techniques. Health care providers need guidance on what tools and techniques to choose for which subgroups of users and guidance on how to introduce an app to colleagues to successfully implement an mHealth app in health care organizations. These steps are important for anyone who wants to design an mHealth app for any illness. ©Pernille Castens

  11. Designing green derivatives of β-blocker Metoprolol: a tiered approach for green and sustainable pharmacy and chemistry.

    Science.gov (United States)

    Rastogi, Tushar; Leder, Christoph; Kümmerer, Klaus

    2014-09-01

    The presences of micro-pollutants (active pharmaceutical ingredients, APIs) are increasingly seen as a challenge of the sustainable management of water resources worldwide due to ineffective effluent treatment and other measures for their input prevention. Therefore, novel approaches are needed like designing greener pharmaceuticals, i.e. better biodegradability in the environment. This study addresses a tiered approach of implementing green and sustainable chemistry principles for theoretically designing better biodegradable and pharmacologically improved pharmaceuticals. Photodegradation process coupled with LC-MS(n) analysis and in silico tools such as quantitative structure-activity relationships (QSAR) analysis and molecular docking proved to be a very significant approach for the preliminary stages of designing chemical structures that would fit into the "benign by design" concept in the direction of green and sustainable pharmacy. Metoprolol (MTL) was used as an example, which itself is not readily biodegradable under conditions found in sewage treatment and the aquatic environment. The study provides the theoretical design of new derivatives of MTL which might have the same or improved pharmacological activity and are more degradable in the environment than MTL. However, the in silico toxicity prediction by QSAR of those photo-TPs indicated few of them might be possibly mutagenic and require further testing. This novel approach of theoretically designing 'green' pharmaceuticals can be considered as a step forward towards the green and sustainable pharmacy field. However, more knowledge and further experience have to be collected on the full scope, opportunities and limitations of this approach. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Revisiting the Fundamentals in the Design and Control of Nanoparticulate Colloids in the Frame of Soft Chemistry1

    Science.gov (United States)

    Uskoković, Vuk

    2013-01-01

    This review presents thoughts on some of the fundamental features of conceptual models applied in the design of fine particles in the frames of colloid and soft chemistry. A special emphasis is placed on the limitations of these models, an acknowledgment of which is vital in improving their intricacy and effectiveness in predicting the outcomes of the corresponding experimental settings. Thermodynamics of self-assembly phenomena illustrated on the examples of protein assembly and micellization is analyzed in relation to the previously elaborated thesis that each self-assembly in reality presents a co-assembly, since it implies a mutual reorganization of the assembling system and its immediate environment. Parameters used in the design of fine particles by precipitation are discussed while referring to solubility product, various measures of supersaturation levels, induction time, nucleation and crystal growth rates, interfacial energies, and the Ostwald–Lussac law of phases. Again, the main drawbacks and inadequacies of using the aforementioned parameters in tailoring the materials properties in a soft and colloidal chemical setting were particularly emphasized. The basic and practical limitations of zeta-potential analyses, routinely used to stabilize colloidal dispersions and initiate specific interactions between soft chemical entities, were also outlined. The final section of the paper reiterates the unavoidable presence of practical qualitative models in the design and control of nanoparticulate colloids, which is supported by the overwhelming complexity of quantitative relationships that govern the processes of their formation and assembly. PMID:24490052

  13. Revisiting the Fundamentals in the Design and Control of Nanoparticulate Colloids in the Frame of Soft Chemistry.

    Science.gov (United States)

    Uskoković, Vuk

    2013-10-01

    This review presents thoughts on some of the fundamental features of conceptual models applied in the design of fine particles in the frames of colloid and soft chemistry. A special emphasis is placed on the limitations of these models, an acknowledgment of which is vital in improving their intricacy and effectiveness in predicting the outcomes of the corresponding experimental settings. Thermodynamics of self-assembly phenomena illustrated on the examples of protein assembly and micellization is analyzed in relation to the previously elaborated thesis that each self-assembly in reality presents a co-assembly, since it implies a mutual reorganization of the assembling system and its immediate environment. Parameters used in the design of fine particles by precipitation are discussed while referring to solubility product, various measures of supersaturation levels, induction time, nucleation and crystal growth rates, interfacial energies, and the Ostwald-Lussac law of phases. Again, the main drawbacks and inadequacies of using the aforementioned parameters in tailoring the materials properties in a soft and colloidal chemical setting were particularly emphasized. The basic and practical limitations of zeta-potential analyses, routinely used to stabilize colloidal dispersions and initiate specific interactions between soft chemical entities, were also outlined. The final section of the paper reiterates the unavoidable presence of practical qualitative models in the design and control of nanoparticulate colloids, which is supported by the overwhelming complexity of quantitative relationships that govern the processes of their formation and assembly.

  14. Early hydrogen water chemistry project review, improvement opportunities and conceptural design options at Exelon boiling water reactors

    International Nuclear Information System (INIS)

    Garcia, Susan E.; Odell, Andrew D.; Giannelli, Joseph F.

    2012-09-01

    Intergranular Stress Corrosion Cracking (IGSCC) and its impacts have been a major concern to the BWR fleet since the mid-70's. Several alternative strategies have been employed to reduce the negative impacts, however, the newest being Early Hydrogen Water Chemistry (EHWC). The Electric Power Research Institute (EPRI) and the BWRVIP (Vessel Internals Project) has strongly supported the development of EHWC, including laboratory testing and a demonstration program that was performed at Peach Bottom Atomic Power Station in October 2011. This paper will review the impacts of a 'Special Test Program' on a BWR plant including: Project management findings; technical reviews and documents required to support such a demonstration program; temporary equipment design, installation and testing; keeping the demonstration progressing along with the plant return from a refuel outage; and lessons learned that can be applied to EHWC implementation during future start-ups. Details will be compared between various Exelon BWRs in support of conceptual designs for EHWC systems and operation. Some comparisons on operational impacts will be provided between various types of BWR plants with differing 'Balance of Plant' designs. (authors)

  15. Reticular Chemistry and Metal-Organic Frameworks: Design and Synthesis of Functional Materials for Clean Energy Applications

    KAUST Repository

    Alezi, Dalal A.

    2017-06-01

    Gaining control over the assembly of crystalline solid-state materials has been significantly advanced through the field of reticular chemistry and metal organic frameworks (MOFs). MOFs have emerged as a unique modular class of porous materials amenable to a rational design with targeted properties for given applications. Several design approaches have been deployed to construct targeted functional MOFs, where desired structural and geometrical attributes are incorporated in preselected building units prior to the assembly process. This dissertation illustrates the merit of the molecular building block approach (MBB) for the rational construction and discovery of stable and highly porous MOFs, and their exploration as potential gas storage medium for sustainable and clean energy applications. Specifically, emphasis was placed on gaining insights into the structure-property relationships that impact the methane (CH4) storage in MOFs and its subsequent delivery. The foreseen gained understanding is essential for the design of new adsorbent materials or adjusting existing MOF platforms to encompass the desired features that subsequently afford meeting the challenging targets for methane storage in mobile and stationary applications.In this context, we report the successful use of the MBB approach for the design and deliberate construction of a series of novel isoreticular, highly porous and stable, aluminum based MOFs with the square-octahedral (soc) underlying net topology. From this platform, Al-soc-MOF-1, with more than 6000 m2/g apparent Langmuir specific surface area, exhibits outstanding gravimetric CH4 uptake (total and working capacities). It is shown experimentally, for the first time, that the Al-soc-MOF platform can address the U.S. Department of Energy (DOE) challenging gravimetric and volumetric targets for the CH4 working capacity for on-board CH4 storage. Furthermore, Al-soc-MOF-1 exhibits the highest total gravimetric and volumetric uptake for carbon

  16. Present status of water chemistry in nuclear power plants

    International Nuclear Information System (INIS)

    Berge, Ph.; Fiquet, J.M.

    1991-01-01

    As operational experience increases, solutions to mitigate corrosion problems of existing plants are found. They also, hopefully, can solve the corrosion problems for future reactors when materials and design can be modified. Improvement of chemistry solved numerous early problems in PWRs (denting, pitting) and limitated other phenomena such as erosion-corrosion of steels in the secondary circuit. Chemistry has not been successful for other problems such as primary-side cracking of PWRs and has been moderately efficient for stress corrosion cracking or IGA of tubes at the support plate. Based on the experience, several recommendations for an optimum chemistry can be formulated. (author)

  17. Design and development of microcontroller-based clinical chemistry analyser for measurement of various blood biochemistry parameters.

    Science.gov (United States)

    Taneja, S R; Gupta, R C; Kumar, Jagdish; Thariyan, K K; Verma, Sanjeev

    2005-01-01

    Clinical chemistry analyser is a high-performance microcontroller-based photometric biochemical analyser to measure various blood biochemical parameters such as blood glucose, urea, protein, bilirubin, and so forth, and also to measure and observe enzyme growth occurred while performing the other biochemical tests such as ALT (alkaline amino transferase), amylase, AST (aspartate amino transferase), and so forth. These tests are of great significance in biochemistry and used for diagnostic purposes and classifying various disorders and diseases such as diabetes, liver malfunctioning, renal diseases, and so forth. An inexpensive clinical chemistry analyser developed by the authors is described in this paper. This is an open system in which any reagent kit available in the market can be used. The system is based on the principle of absorbance transmittance photometry. System design is based around 80C31 microcontroller with RAM, EPROM, and peripheral interface devices. The developed system incorporates light source, an optical module, interference filters of various wave lengths, peltier device for maintaining required temperature of the mixture in flow cell, peristaltic pump for sample aspiration, graphic LCD display for displaying blood parameters, patients test results and kinetic test graph, 40 columns mini thermal printer, and also 32-key keyboard for executing various functions. The lab tests conducted on the instrument include versatility of the analyzer, flexibility of the software, and treatment of sample. The prototype was tested and evaluated over 1000 blood samples successfully for seventeen blood parameters. Evaluation was carried out at Government Medical College and Hospital, the Department of Biochemistry. The test results were found to be comparable with other standard instruments.

  18. Investigating the Longitudinal Impact of a Successful Reform in General Chemistry on Student Enrollment and Academic Performance

    Science.gov (United States)

    Lewis, Scott E.

    2014-01-01

    Considerable effort in chemistry education research has been dedicated to developing and evaluating reform pedagogies designed to improve student success in general chemistry. Policy recommendations propose adoption of these techniques as a means to increase the number of science graduates, however there is the potential that the impact of these…

  19. Design of Biomedical and Biofunctional Polymers by Use of Living/Controlled Polymerizations and "Click" Chemistry

    DEFF Research Database (Denmark)

    Hvilsted, Søren

    employed as a viable scaffold for design of several novel materials with intriguing, potentially therapeutic and biological properties. Living ROP strategies have afforded telechelic PCLs that can be equipped with various functional groups including “clickable” moieties or turned into macromonomers......, and effective synthetic strategy. Thirdly, the preparation of PCL-based miktoarm core-crosslinked amphiphilic star copolymers with hydrophobic interior, charged hydrophilic surface, and targeting motifs are elaborated.3 Such nanoscopic core-shell type architectures are envisioned to be excellent candidates...

  20. Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin : Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry

    NARCIS (Netherlands)

    Mondal, Milon; Radeva, Nedyalka; Fanlo-Virgos, Hugo; Otto, Sijbren; Klebe, Gerhard; Hirsch, Anna K. H.

    2016-01-01

    Fragment-based drug design (FBDD) affords active compounds for biological targets. While there are numerous reports on FBDD by fragment growing/optimization, fragment linking has rarely been reported. Dynamic combinatorial chemistry (DCC) has become a powerful hit-identification strategy for

  1. Effect of Peer-Led Team Learning (PLTL) on Student Achievement, Attitude, and Self-Concept in College General Chemistry in Randomized and Quasi Experimental Designs

    Science.gov (United States)

    Chan, Julia Y. K.; Bauer, Christopher F.

    2015-01-01

    This study investigated exam achievement and affective characteristics of students in general chemistry in a fully-randomized experimental design, contrasting Peer-Led Team Learning (PLTL) participation with a control group balanced for time-on-task and study activity. This study population included two independent first-semester courses with…

  2. Enhancing chemistry teaching in secondary schools: An alternative ...

    African Journals Online (AJOL)

    This study adopted the quasi-experimental research design to examine the alterative teaching methods in secondary chemistry using the cooperative instructional strategy ... Some recommendations were also made among which were that the current prevailing teaching and learning approach should be restructured.

  3. Molecular design of highly efficient extractants for separation of lanthanides and actinides by computational chemistry

    International Nuclear Information System (INIS)

    Uezu, Kazuya; Yamagawa, Jun-ichiro; Goto, Masahiro

    2006-01-01

    Novel organophosphorus extractants, which have two functional moieties in the molecular structure, were developed for the recycle system of transuranium elements using liquid-liquid extraction. The synthesized extractants showed extremely high extractability to lanthanides elements compared to those of commercially available extractants. The results of extraction equilibrium suggested that the structural effect of extractants is one of the key factors to enhance the selectivity and extractability in lanthanides extractions. Furthermore, molecular modeling was carried out to evaluate the extraction properties for extraction of lanthanides by the synthesized extractants. Molecular modeling was shown to be very useful for designing new extractants. The new concept to connect some functional moieties with a spacer is very useful and is a promising method to develop novel extractants for treatment of nuclear fuel. (author)

  4. Stereognostic coordination chemistry. 1. The design and synthesis of chelators for the uranyl ion

    International Nuclear Information System (INIS)

    Franczyk, T.S.; Czerwinski, K.R.; Raymond, K.N.

    1992-01-01

    A new approach to the molecular recognition of metal oxo cations is introduced based on a ligand design strategy that provides at least one hydrogen bond donor for interaction with oxo group(s) as well as conventional electron pair donor ligands for coordination to the metal center. This concept of stereognostic coordination of oxo metal ions is exemplified in the design of four tripodal ligands-tris[2-(2-carboxyphenoxy)ethyl]amine[NEB],tris[3-(2-carboxyphenoxy)propyl]amine[NPB], tris[3-(2-carboxynaphthyl-3-oxy)propyl]amine [NPN], and tris[3-(2-carboxy=4octadecylphenoxy)propyl]amine[NPodB] - for sequestration of the uranyl ion. The ligands NEB, NPB, and NPN form 1:1 complexes with UO 2 2+ . The bidentate coordination of carboxyl groups of these compounds is indicated by the infrared spectra, which offer some support for the presence of a hydrogen bond to the uranyl group. Mass spectral data corroborate CPK model predictions that more than five intervening atoms between the tertiary nitrogen atom and the carboxylate groups are required for metal ion incorporation and monomeric complex formation. Solvent extractions of aqueous UO 2 2+ into chloroform solutions of the ligands have shown them to be powerful extractants. In the case of the very hydrophobic ligand NPodB the stoichiometry of the complexation reaction is shown to be 1:1 UO 2 /ligand complex formed by the release of 3 protons. The extraction is quantitative at pH 2.5, and an effective extraction coefficient of about 10 11 is estimated for neutral aqueous solutions of UO 2 2+ . 81 refs., 13 figs., 2 tabs

  5. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  6. Design and Evaluation of Digital Learning Material to Support Acquisition of Quantitative Problem-Solving Skills Within Food Chemistry

    NARCIS (Netherlands)

    Diederen, J.; Gruppen, H.; Hartog, R.; Voragen, A.G.J.

    2005-01-01

    One of the modules in the course Food Chemistry at Wageningen University (Wageningen, The Netherlands) focuses on quantitative problem-solving skills related to chemical reactions. The intended learning outcomes of this module are firstly, to be able to translate practical food chemistry related

  7. Constructivist-Based Asynchronous Tutorial to Improve Transfer between Math and Chemistry Domains: Design, Implementation, and Analysis of the Impact of ReMATCH on General Chemistry Course Performance and Confidence

    Science.gov (United States)

    Barker, M. Danielle

    2011-07-01

    The two-year implementation of ReMATCH, a web-based math and problem-solving tutorial, in a traditionally arranged general chemistry classroom at the University of Kansas examined the impact of a designed intervention to assist students with the transfer of their mathematical knowledge to a chemistry context where it could be readily used for quantitative problem solving. The ReMATCH intervention, designed on constructivist-based pedagogies, focused on illuminating the expert-processes of problem solving and transferring knowledge across domains to the novice chemistry. The two implementations of ReMATCH -- once as lab assignments and once lecture assignments -- resulted in very different student responses to the intervention. However, within both, the beneficial effects of sustained ReMATCH-use were visible. In 2006, students who attempted all of the ReMATCH homework assignments were predicted to earn ˜5% higher on their total exam points. The 2007 implementation of ReMATCH demonstrated that students who attempted all of the homework problems and visited at least half of the ReMATCH tutorial pages were predicted to earn ˜8.5% higher on their total exam points. Additionally, use of ReMATCH in 2006 also resulted in increased confidence (as measured by comfort-level) with some of the math-related chemistry topics covered in ReMATCH. In 2007, when only students who attempted all of the ReMATCH problems were considered, it became clear that individuals who were initially less confident in their math-related chemistry skills were more likely to view more of the ReMATCH tutorial pages. When students with lower initial comfort-levels on these topics viewed at least half of the ReMATCH tutorial pages, they were able to compensate for their initially lower levels of confidence and were equally comfortable with most of the math-related chemistry topics by the final survey. Student interactions with and perceptions of ReMATCH showed that student attitudes towards Re

  8. Seasonal carbonate chemistry covariation with temperature, oxygen, and salinity in a fjord estuary: implications for the design of ocean acidification experiments.

    Science.gov (United States)

    Reum, Jonathan C P; Alin, Simone R; Feely, Richard A; Newton, Jan; Warner, Mark; McElhany, Paul

    2014-01-01

    Carbonate chemistry variability is often poorly characterized in coastal regions and patterns of covariation with other biologically important variables such as temperature, oxygen concentration, and salinity are rarely evaluated. This absence of information hampers the design and interpretation of ocean acidification experiments that aim to characterize biological responses to future pCO2 levels relative to contemporary conditions. Here, we analyzed a large carbonate chemistry data set from Puget Sound, a fjord estuary on the U.S. west coast, and included measurements from three seasons (winter, summer, and fall). pCO2 exceeded the 2008-2011 mean atmospheric level (392 µatm) at all depths and seasons sampled except for the near-surface waters (Salinity, which varied little (27 to 31), was weakly correlated with carbonate chemistry. We illustrate potential high-frequency changes in carbonate chemistry, temperature, and oxygen conditions experienced simultaneously by organisms in Puget Sound that undergo diel vertical migrations under present-day conditions. We used simple calculations to estimate future pCO2 and Ωar values experienced by diel vertical migrators based on an increase in atmospheric CO2. Given the potential for non-linear interactions between pCO2 and other abiotic variables on physiological and ecological processes, our results provide a basis for identifying control conditions in ocean acidification experiments for this region, but also highlight the wide range of carbonate chemistry conditions organisms may currently experience in this and similar coastal ecosystems.

  9. Antiparallel Dynamic Covalent Chemistries.

    Science.gov (United States)

    Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

    2017-05-17

    The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

  10. Design of a new multi-phase experimental simulation chamber for atmospheric photosmog, aerosol and cloud chemistry research

    Directory of Open Access Journals (Sweden)

    J. Wang

    2011-11-01

    Full Text Available A new simulation chamber has been built at the Interuniversitary Laboratory of Atmospheric Systems (LISA. The CESAM chamber (French acronym for Experimental Multiphasic Atmospheric Simulation Chamber is designed to allow research in multiphase atmospheric (photo- chemistry which involves both gas phase and condensed phase processes including aerosol and cloud chemistry. CESAM has the potential to carry out variable temperature and pressure experiments under a very realistic artificial solar irradiation. It consists of a 4.2 m3 stainless steel vessel equipped with three high pressure xenon arc lamps which provides a controlled and steady environment. Initial characterization results, all carried out at 290–297 K under dry conditions, concerning lighting homogeneity, mixing efficiency, ozone lifetime, radical sources, NOy wall reactivity, particle loss rates, background PM, aerosol formation and cloud generation are given. Photolysis frequencies of NO2 and O3 related to chamber radiation system were found equal to (4.2 × 10−3 s−1 for JNO2 and (1.4 × 10−5 s−1 for JO1D which is comparable to the solar radiation in the boundary layer. An auxiliary mechanism describing NOy wall reactions has been developed. Its inclusion in the Master Chemical Mechanism allowed us to adequately model the results of experiments on the photo-oxidation of propene-NOx-Air mixtures. Aerosol yields for the α-pinene + O3 system chosen as a reference were determined and found in good agreement with previous studies. Particle lifetime in the chamber ranges from 10 h to 4 days depending on particle size distribution which indicates that the chamber can provide high quality data on aerosol aging processes and their effects. Being evacuable, it is possible to generate in this new chamber

  11. Survey of PWR water chemistry

    International Nuclear Information System (INIS)

    Gorman, J.

    1989-02-01

    This report surveys available information regarding primary and secondary water chemistries of pressurized water reactors (PWRs) and the impact of these water chemistries on reactor operation. The emphasis of the document is on aspects of water chemistry that affect the integrity of the primary pressure boundary and the radiation dose associated with maintenance and operation. The report provides an historical overview of the development of primary and secondary water chemistries, and describes practices currently being followed. Current problems and areas of research associated with water chemistry are described. Recommendations for further research are included. 183 refs., 9 figs., 19 tabs

  12. Safe bunker designing for the 18 MV Varian 2100 Clinac: a comparison between Monte Carlo simulation based upon data and new protocol recommendations.

    Science.gov (United States)

    Beigi, Manije; Afarande, Fatemeh; Ghiasi, Hosein

    2016-01-01

    The aim of this study was to compare two bunkers designed by only protocols recommendations and Monte Carlo (MC) based upon data derived for an 18 MV Varian 2100Clinac accelerator. High energy radiation therapy is associated with fast and thermal photoneutrons. Adequate shielding against the contaminant neutron has been recommended by IAEA and NCRP new protocols. The latest protocols released by the IAEA (safety report No. 47) and NCRP report No. 151 were used for the bunker designing calculations. MC method based upon data was also derived. Two bunkers using protocols and MC upon data were designed and discussed. From designed door's thickness, the door designed by the MC simulation and Wu-McGinley analytical method was closer in both BPE and lead thickness. In the case of the primary and secondary barriers, MC simulation resulted in 440.11 mm for the ordinary concrete, total concrete thickness of 1709 mm was required. Calculating the same parameters value with the recommended analytical methods resulted in 1762 mm for the required thickness using 445 mm as recommended by TVL for the concrete. Additionally, for the secondary barrier the thickness of 752.05 mm was obtained. Our results showed MC simulation and the followed protocols recommendations in dose calculation are in good agreement in the radiation contamination dose calculation. Difference between the two analytical and MC simulation methods revealed that the application of only one method for the bunker design may lead to underestimation or overestimation in dose and shielding calculations.

  13. Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

    Science.gov (United States)

    Lehn, Jean-Marie

    2012-01-01

    Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

  14. Definitions, End Points, and Clinical Trial Designs for Non-Muscle-Invasive Bladder Cancer: Recommendations From the International Bladder Cancer Group

    NARCIS (Netherlands)

    Kamat, A.M.; Sylvester, R.J.; Bohle, A.; Palou, J.; Lamm, D.L.; Brausi, M.; Soloway, M.; Persad, R.; Buckley, R.; Colombel, M.; Witjes, J.A.

    2016-01-01

    PURPOSE: To provide recommendations on appropriate clinical trial designs in non-muscle-invasive bladder cancer (NMIBC) based on current literature and expert consensus of the International Bladder Cancer Group. METHODS: We reviewed published trials, guidelines, meta-analyses, and reviews and

  15. Reticular Chemistry and Metal-Organic Frameworks: Design and Synthesis of Functional Materials for Clean Energy Applications

    KAUST Repository

    Alezi, Dalal

    2017-01-01

    Gaining control over the assembly of crystalline solid-state materials has been significantly advanced through the field of reticular chemistry and metal organic frameworks (MOFs). MOFs have emerged as a unique modular class of porous materials

  16. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

    A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

  17. Seasonal Carbonate Chemistry Covariation with Temperature, Oxygen, and Salinity in a Fjord Estuary: Implications for the Design of Ocean Acidification Experiments

    Science.gov (United States)

    Reum, Jonathan C. P.; Alin, Simone R.; Feely, Richard A.; Newton, Jan; Warner, Mark; McElhany, Paul

    2014-01-01

    Carbonate chemistry variability is often poorly characterized in coastal regions and patterns of covariation with other biologically important variables such as temperature, oxygen concentration, and salinity are rarely evaluated. This absence of information hampers the design and interpretation of ocean acidification experiments that aim to characterize biological responses to future pCO2 levels relative to contemporary conditions. Here, we analyzed a large carbonate chemistry data set from Puget Sound, a fjord estuary on the U.S. west coast, and included measurements from three seasons (winter, summer, and fall). pCO2 exceeded the 2008–2011 mean atmospheric level (392 µatm) at all depths and seasons sampled except for the near-surface waters (aragonite were widespread (Ωar<1). We show that pCO2 values were relatively uniform throughout the water column and across regions in winter, enriched in subsurface waters in summer, and in the fall some values exceeded 2500 µatm in near-surface waters. Carbonate chemistry covaried to differing levels with temperature and oxygen depending primarily on season and secondarily on region. Salinity, which varied little (27 to 31), was weakly correlated with carbonate chemistry. We illustrate potential high-frequency changes in carbonate chemistry, temperature, and oxygen conditions experienced simultaneously by organisms in Puget Sound that undergo diel vertical migrations under present-day conditions. We used simple calculations to estimate future pCO2 and Ωar values experienced by diel vertical migrators based on an increase in atmospheric CO2. Given the potential for non-linear interactions between pCO2 and other abiotic variables on physiological and ecological processes, our results provide a basis for identifying control conditions in ocean acidification experiments for this region, but also highlight the wide range of carbonate chemistry conditions organisms may currently experience in this and similar coastal

  18. Seasonal carbonate chemistry covariation with temperature, oxygen, and salinity in a fjord estuary: implications for the design of ocean acidification experiments.

    Directory of Open Access Journals (Sweden)

    Jonathan C P Reum

    Full Text Available Carbonate chemistry variability is often poorly characterized in coastal regions and patterns of covariation with other biologically important variables such as temperature, oxygen concentration, and salinity are rarely evaluated. This absence of information hampers the design and interpretation of ocean acidification experiments that aim to characterize biological responses to future pCO2 levels relative to contemporary conditions. Here, we analyzed a large carbonate chemistry data set from Puget Sound, a fjord estuary on the U.S. west coast, and included measurements from three seasons (winter, summer, and fall. pCO2 exceeded the 2008-2011 mean atmospheric level (392 µatm at all depths and seasons sampled except for the near-surface waters (< 10 m in the summer. Further, undersaturated conditions with respect to the biogenic carbonate mineral aragonite were widespread (Ωar<1. We show that pCO2 values were relatively uniform throughout the water column and across regions in winter, enriched in subsurface waters in summer, and in the fall some values exceeded 2500 µatm in near-surface waters. Carbonate chemistry covaried to differing levels with temperature and oxygen depending primarily on season and secondarily on region. Salinity, which varied little (27 to 31, was weakly correlated with carbonate chemistry. We illustrate potential high-frequency changes in carbonate chemistry, temperature, and oxygen conditions experienced simultaneously by organisms in Puget Sound that undergo diel vertical migrations under present-day conditions. We used simple calculations to estimate future pCO2 and Ωar values experienced by diel vertical migrators based on an increase in atmospheric CO2. Given the potential for non-linear interactions between pCO2 and other abiotic variables on physiological and ecological processes, our results provide a basis for identifying control conditions in ocean acidification experiments for this region, but also highlight

  19. Using an innovative combination of quality-by-design and green analytical chemistry approaches for the development of a stability indicating UHPLC method in pharmaceutical products.

    Science.gov (United States)

    Boussès, Christine; Ferey, Ludivine; Vedrines, Elodie; Gaudin, Karen

    2015-11-10

    An innovative combination of green chemistry and quality by design (QbD) approach is presented through the development of an UHPLC method for the analysis of the main degradation products of dextromethorphan hydrobromide. QbD strategy was integrated to the field of green analytical chemistry to improve method understanding while assuring quality and minimizing environmental impacts, and analyst exposure. This analytical method was thoroughly evaluated by applying risk assessment and multivariate analysis tools. After a scouting phase aimed at selecting a suitable stationary phase and an organic solvent in accordance with green chemistry principles, quality risk assessment tools were applied to determine the critical process parameters (CPPs). The effects of the CPPs on critical quality attributes (CQAs), i.e., resolutions, efficiencies, and solvent consumption were further evaluated by means of a screening design. A response surface methodology was then carried out to model CQAs as function of the selected CPPs and the optimal separation conditions were determined through a desirability analysis. Resulting contour plots enabled to establish the design space (DS) (method operable design region) where all CQAs fulfilled the requirements. An experimental validation of the DS proved that quality within the DS was guaranteed; therefore no more robustness study was required before the validation. Finally, this UHPLC method was validated using the concept of total error and was used to analyze a pharmaceutical drug product. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK

    2012-01-01

    Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

  1. OARSI Clinical Trials Recommendations

    DEFF Research Database (Denmark)

    McAlindon, T. E.; Driban, J. B.; Henrotin, Y.

    2015-01-01

    The goal of this document is to update the original OARSI recommendations specifically for the design, conduct, and reporting of clinical trials that target symptom or structure modification among individuals with knee osteoarthritis (OA). To develop recommendations for the design, conduct...

  2. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    Zuhal GERÇEK

    2012-01-01

    Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

  3. Important changes in medical x-ray imaging facility shielding design methodology. A brief summary of recommendations in NCRP Report No. 147

    International Nuclear Information System (INIS)

    Archer, Benjamin R.; Gray, Joel E.

    2005-01-01

    The recently published Report No. 147 of The National Council on Radiation Protection and Measurements entitled 'Structural shielding design for medical x-ray imaging facilities' provides an update of shielding recommendations for x rays used for medical imaging. The goal of this report is to ensure that the shielding in these facilities limits radiation exposures to employees and members of the public to acceptable levels. Board certified medical and health physicists, as defined in this report, are the 'qualified experts' who are competent to design radiation shielding for these facilities. As such, physicists must be aware of the new technical information and the changes from previous reports that Report No. 147 supersedes. In this article we summarize the new data, models and recommendations for the design of radiation barriers in medical imaging facilities that are presented in Report No. 147

  4. Recommended practices in elevated temperature design: A compendium of breeder reactor experiences (1970-1986): An overview

    International Nuclear Information System (INIS)

    Wei, B.C.; Cooper, W.L. Jr.; Dhalla, A.K.

    1987-09-01

    Significant experiences have been accumulated in the establishment of design methods and criteria applicable to the design of Liquid Metal Fast Breeder Reactor (LMFBR) components. The Subcommittee of the Elevated Temperature Design under the Pressure Vessel Research Council (PVRC) has undertaken to collect, on an international basis, design experience gained, and the lessons learned, to provide guidelines for next generation advanced reactor designs. This paper shall present an overview and describe the highlights of the work

  5. Effective user interface designs to increase energy-efficient behavior in a Rasch-based energy recommender system

    NARCIS (Netherlands)

    Starke, A.D.; Willemsen, M.C.; Snijders, C.C.P.

    People often struggle to find appropriate energy-saving measures to take in the household. Although recommender studies show that tailoring a system's interaction method to the domain knowledge of the user can increase energy savings, they did not actually tailor the conservation advice itself. We

  6. What Chemistry To Teach Engineers?

    Science.gov (United States)

    Hawkes, Stephen J.

    2000-01-01

    Examines possible general chemistry topics that would be most relevant and practical for engineering majors. Consults the Accreditation Board for Engineering and Technology (ABET), engineering textbooks, texts from other required subjects, and practicing engineers for recommendations. (Contains 24 references.) (WRM)

  7. Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

    Directory of Open Access Journals (Sweden)

    Taghi Rajabi

    2017-09-01

    Full Text Available : Concept maps of chemistry can be obtained from thesaurus of chemistry. Analysis of information in the field of chemistry is done at graduate level, based on comparing and analyzing chemistry dissertations by using these maps. Therefore, the use of thesaurus for analyzing scientific information is recommended. Major advantage of using this method, is that it is possible to obtain a detailed map of all academic researches across all branches of science. The researches analysis results in chemical science can play a key role in developing strategic research policies, educational programming, linking universities to industries and postgraduate educational programming. This paper will first introduce the concept maps of chemistry. Then, emerging patterns from the concept maps of chemistry will be used to analyze the trend in the academic dissertations in chemistry, using the data collected and stored in our database at Iranian Research Institute for Information Science and Technology (IranDoc over the past 10 years (1998-2009.

  8. Lessons learned from IDeAl - 33 recommendations from the IDeAl-net about design and analysis of small population clinical trials.

    Science.gov (United States)

    Hilgers, Ralf-Dieter; Bogdan, Malgorzata; Burman, Carl-Fredrik; Dette, Holger; Karlsson, Mats; König, Franz; Male, Christoph; Mentré, France; Molenberghs, Geert; Senn, Stephen

    2018-05-11

    IDeAl (Integrated designs and analysis of small population clinical trials) is an EU funded project developing new statistical design and analysis methodologies for clinical trials in small population groups. Here we provide an overview of IDeAl findings and give recommendations to applied researchers. The description of the findings is broken down by the nine scientific IDeAl work packages and summarizes results from the project's more than 60 publications to date in peer reviewed journals. In addition, we applied text mining to evaluate the publications and the IDeAl work packages' output in relation to the design and analysis terms derived from in the IRDiRC task force report on small population clinical trials. The results are summarized, describing the developments from an applied viewpoint. The main result presented here are 33 practical recommendations drawn from the work, giving researchers a comprehensive guidance to the improved methodology. In particular, the findings will help design and analyse efficient clinical trials in rare diseases with limited number of patients available. We developed a network representation relating the hot topics developed by the IRDiRC task force on small population clinical trials to IDeAl's work as well as relating important methodologies by IDeAl's definition necessary to consider in design and analysis of small-population clinical trials. These network representation establish a new perspective on design and analysis of small-population clinical trials. IDeAl has provided a huge number of options to refine the statistical methodology for small-population clinical trials from various perspectives. A total of 33 recommendations developed and related to the work packages help the researcher to design small population clinical trial. The route to improvements is displayed in IDeAl-network representing important statistical methodological skills necessary to design and analysis of small-population clinical trials. The methods

  9. Design and Implementation of a Pilot Obesity Prevention Program in a Low-Resource School: Lessons Learned and Research Recommendations

    Science.gov (United States)

    Baskin, Monica L.; Zunker, Christie; Worley, Courtney B.; Dial, Brenda; Kimbrough, Linda

    2009-01-01

    Purpose: This paper seeks to describe the design, implementation, and lessons learned from an obesity prevention pilot program delivered in a low resource school in the USA. Design/methodology/approach: A planned program evaluation was conducted to: document explicitly the process of designing and implementing the program; and assess the…

  10. Recommendations for Assessment of the Reliability, Sensitivity, and Validity of Data Provided by Wearable Sensors Designed for Monitoring Physical Activity.

    Science.gov (United States)

    Düking, Peter; Fuss, Franz Konstantin; Holmberg, Hans-Christer; Sperlich, Billy

    2018-04-30

    Although it is becoming increasingly popular to monitor parameters related to training, recovery, and health with wearable sensor technology (wearables), scientific evaluation of the reliability, sensitivity, and validity of such data is limited and, where available, has involved a wide variety of approaches. To improve the trustworthiness of data collected by wearables and facilitate comparisons, we have outlined recommendations for standardized evaluation. We discuss the wearable devices themselves, as well as experimental and statistical considerations. Adherence to these recommendations should be beneficial not only for the individual, but also for regulatory organizations and insurance companies. ©Peter Düking, Franz Konstantin Fuss, Hans-Christer Holmberg, Billy Sperlich. Originally published in JMIR Mhealth and Uhealth (http://mhealth.jmir.org), 30.04.2018.

  11. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  12. Chemistry Dashboard

    Science.gov (United States)

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  13. Instructional Model and Thinking Skill in Chemistry Class

    Science.gov (United States)

    Langkudi, H. H.

    2018-02-01

    Chemistry course are considered a difficult lesson for students as evidenced by low learning outcomes on daily tests, mid-semester tests as well as final semester tests. This research intended to investigate the effect of instructional model, thinking skill and the interaction of these variables on students’ achievement in chemistry. Experimental method was applying used 2 x 2 factorial design. The results showed that the use of instructional model with thinking skill influences student’s learning outcomes, so that the chemistry teacher is recommended to pay attention to the learning model, and adjusted to the student’s skill thinking on the chemistry material being taught. The conclusion of this research is that discovery model is suitable for students who have formal thinking skill and conventional model is fit for the students that have concrete thinking skill.

  14. Moderator Chemistry Program

    International Nuclear Information System (INIS)

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation

  15. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  16. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-01-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx

  17. Recommender systems

    OpenAIRE

    Lu L.; Medo M.; Yeung C.H.; Zhang Y.-C.; Zhang Z.-K.; Zhou T.

    2012-01-01

    The ongoing rapid expansion of the Internet greatly increases the necessity of effective recommender systems for filtering the abundant information. Extensive research for recommender systems is conducted by a broad range of communities including social and computer scientists, physicists, and interdisciplinary researchers. Despite substantial theoretical and practical achievements, unification and comparison of different approaches are lacking, which impedes further advances. In this article...

  18. Recommendations for Additional Design Development of Components for the SpinTek Rotary Microfilter Prior to Radioactive Service

    International Nuclear Information System (INIS)

    Herman, D.T.

    2004-01-01

    The SpinTek rotary microfilter is being considered as an alternative to crossflow filtration. Prior testing evaluated the vendor's standard design for a 1-disk and 3-disk design. We noted several areas of improvement during the testing of the two filter systems that can be included in the 25-disk plant size unit.This report outlines several potential enhancements and improvements to the vendor's standard design which would extend the lifetime of the unit and increase the ability to perform maintenance for units deployed in radioactive service. The enhancements proposed in this report can be implemented to the current design with minimal impact to the cost and schedule of the purchase of the standard unit. An example of this is the replacement of the current mechanical seal with a bellows seal. The improvements proposed will require an extensive redesign of components found in the current system such as the filter chamber

  19. Preliminary recommendations on the design of the characterization program for the Hanford Site single-shell tanks: A system analysis

    International Nuclear Information System (INIS)

    Buck, J.W.; Peffers, M.S.; Hwang, S.T.

    1991-11-01

    The work described in this volume was conducted by Pacific Northwest Laboratory to provide preliminary recommendations on data quality objectives (DQOs) to support the Waste Characterization Plan (WCP) and closure decisions for the Hanford Site single-shell tanks (SSTs). The WCP describes the first of a two-phase characterization program that will obtain information to assess and implement disposal options for SSTs. This work was performed for the Westinghouse Hanford Company (WHC), the current operating contractor on the Hanford Site. The preliminary DQOs contained in this volume deal with the analysis of SST wastes in support of the WCP and final closure decisions. These DQOs include information on significant contributors and detection limit goals (DLGs) for SST analytes based on public health risk

  20. Learning Design of Problem Based Learning Model Based on Recommendations of Sintax Study and Contents Issues on Physics Impulse Materials with Experimental Activities

    Directory of Open Access Journals (Sweden)

    Kristia Agustina

    2017-08-01

    Full Text Available This study aims to design learning Problem Based Learning Model based on syntax study recommendations and content issues on Physics Impulse materials through experiments. This research is a development research with Kemp model. The reference for making the learning design is the result of the syntax study and the content of existing PBL implementation problems from Agustina research. This instructional design is applied to the physics material about Impulse done through experimental activity. Limited trials were conducted on the SWCU Physics Education Study Program students group Salatiga, while the validity test was conducted by high school teachers and physics education lecturers. The results of the trial evaluation are limited and the validity test is used to improve the designs that have been made. The conclusion of this research is the design of learning by using PBL model on Impuls material by referring the result of syntax study and the problem content of existing PBL implementation can be produced by learning activity designed in laboratory experiment activity. The actual problem for Impuls material can be used car crash test video at factory. The results of validation tests and limited trials conducted by researchers assessed that the design of learning made by researchers can be used with small revisions. Suggestions from this research are in making learning design by using PBL model to get actual problem can by collecting news that come from newspaper, YouTube, internet, and television.

  1. Dynamic Combinatorial Chemistry

    DEFF Research Database (Denmark)

    Lisbjerg, Micke

    This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

  2. Incorporation of expert variability into breast cancer treatment recommendation in designing clinical protocol guided fuzzy rule system models.

    Science.gov (United States)

    Garibaldi, Jonathan M; Zhou, Shang-Ming; Wang, Xiao-Ying; John, Robert I; Ellis, Ian O

    2012-06-01

    It has been often demonstrated that clinicians exhibit both inter-expert and intra-expert variability when making difficult decisions. In contrast, the vast majority of computerized models that aim to provide automated support for such decisions do not explicitly recognize or replicate this variability. Furthermore, the perfect consistency of computerized models is often presented as a de facto benefit. In this paper, we describe a novel approach to incorporate variability within a fuzzy inference system using non-stationary fuzzy sets in order to replicate human variability. We apply our approach to a decision problem concerning the recommendation of post-operative breast cancer treatment; specifically, whether or not to administer chemotherapy based on assessment of five clinical variables: NPI (the Nottingham Prognostic Index), estrogen receptor status, vascular invasion, age and lymph node status. In doing so, we explore whether such explicit modeling of variability provides any performance advantage over a more conventional fuzzy approach, when tested on a set of 1310 unselected cases collected over a fourteen year period at the Nottingham University Hospitals NHS Trust, UK. The experimental results show that the standard fuzzy inference system (that does not model variability) achieves overall agreement to clinical practice around 84.6% (95% CI: 84.1-84.9%), while the non-stationary fuzzy model can significantly increase performance to around 88.1% (95% CI: 88.0-88.2%), psystems in any application domain. Copyright © 2012 Elsevier Inc. All rights reserved.

  3. Recommender systems

    CERN Document Server

    Kembellec, Gérald; Saleh, Imad

    2014-01-01

    Acclaimed by various content platforms (books, music, movies) and auction sites online, recommendation systems are key elements of digital strategies. If development was originally intended for the performance of information systems, the issues are now massively moved on logical optimization of the customer relationship, with the main objective to maximize potential sales. On the transdisciplinary approach, engines and recommender systems brings together contributions linking information science and communications, marketing, sociology, mathematics and computing. It deals with the understan

  4. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  5. Radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

  6. Life cycle environmental evaluation of kettles: Recommendations for the development of eco-design regulations in the European Union.

    Science.gov (United States)

    Gallego-Schmid, Alejandro; Jeswani, Harish Kumar; Mendoza, Joan Manuel F; Azapagic, Adisa

    2018-06-01

    Between 117 and 200 million kettles are used in the European Union (EU) every year. However, the full environmental impacts of kettles remain largely unknown. This paper presents a comprehensive life cycle assessment of conventional plastic and metallic kettles in comparison with eco-kettles. The results show that the use stage contributes 80% to the impacts. For this reason, the eco-kettle has over 30% lower environmental impacts due to a greater water efficiency and related lower energy consumption. These results have been extrapolated to the EU level to consider the implications for proposed eco-design regulations. For these purposes, the effects on the impacts of durability of kettles and improvements in their energy and water efficiency have been assessed as they have been identified as two key parameters in the proposed regulations. The results suggest that increasing the current average durability from 4.4 to seven years would reduce the impacts by less than 5%. Thus, improving durability is not a key issue for improving the environmental performance of kettles and does not justify the need for an eco-design regulation based exclusively on it. However, improvements in water and energy efficiency through eco-design can bring relevant environmental savings. Boiling the exact amount of water needed would reduce the impacts by around a third and using water temperature control by further 2%-5%. The study has also considered the effects of reducing significantly the number of kettles in use after the UK (large user of kettles) leaves the EU and reducing the excess water typically boiled by the consumer. Even under these circumstances, the environmental savings justify the development of a specific EU eco-design regulation for kettles. However, consumer engagement will be key to the implementation and achievement of the expected environmental benefits. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Technetium chemistry

    International Nuclear Information System (INIS)

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-01-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL)

  8. Promoting safety mindfulness: Recommendations for the design and use of simulation-based training in radiation therapy

    Directory of Open Access Journals (Sweden)

    Lukasz M. Mazur, PhD

    2018-04-01

    Full Text Available There is a need to better prepare radiation therapy (RT providers to safely operate within the health information technology (IT sociotechnical system. Simulation-based training has been preemptively used to yield meaningful improvements during providers' interactions with health IT, including RT settings. Therefore, on the basis of the available literature and our experience, we propose principles for the effective design and use of simulated scenarios and describe a conceptual framework for a debriefing approach to foster successful training that is focused on safety mindfulness during RT professionals' interactions with health IT.

  9. Gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R]: molecular design, synthetic organic chemistry reactions, and antineoplastic cytotoxic potency in populations of pulmonary adenocarcinoma (A549).

    Science.gov (United States)

    Coyne, Cody P; Narayanan, Lakshmi

    2017-03-01

    One molecular-based approach that increases potency and reduces dose-limited sequela is the implementation of selective 'targeted' delivery strategies for conventional small molecular weight chemotherapeutic agents. Descriptions of the molecular design and organic chemistry reactions that are applicable for synthesis of covalent gemcitabine-monophosphate immunochemotherapeutics have to date not been reported. The covalent immunopharmaceutical, gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R] was synthesized by reacting gemcitabine with a carbodiimide reagent to form a gemcitabine carbodiimide phosphate ester intermediate which was subsequently reacted with imidazole to create amine-reactive gemcitabine-(5'-phosphorylimidazolide) intermediate. Monoclonal anti-IGF-1R immunoglobulin was combined with gemcitabine-(5'-phosphorylimidazolide) resulting in the synthetic formation of gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R]. The gemcitabine molar incorporation index for gemcitabine-(5'-phosphoramidate)-[anti-IGF-R1] was 2.67:1. Cytotoxicity Analysis - dramatic increases in antineoplastic cytotoxicity were observed at and between the gemcitabine-equivalent concentrations of 10 -9  M and 10 -7  M where lethal cancer cell death increased from 0.0% to a 93.1% maximum (100.% to 6.93% residual survival), respectively. Advantages of the organic chemistry reactions in the multistage synthesis scheme for gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R] include their capacity to achieve high chemotherapeutic molar incorporation ratios; option of producing an amine-reactive chemotherapeutic intermediate that can be preserved for future synthesis applications; and non-dedicated organic chemistry reaction scheme that allows substitutions of either or both therapeutic moieties, and molecular delivery platforms. © 2016 The Authors Chemical Biology & Drug Design Published by John Wiley & Sons Ltd.

  10. Recommendations for sex/gender neuroimaging research: key principles and implications for research design, analysis, and interpretation

    Science.gov (United States)

    Rippon, Gina; Jordan-Young, Rebecca; Kaiser, Anelis; Fine, Cordelia

    2014-01-01

    Neuroimaging (NI) technologies are having increasing impact in the study of complex cognitive and social processes. In this emerging field of social cognitive neuroscience, a central goal should be to increase the understanding of the interaction between the neurobiology of the individual and the environment in which humans develop and function. The study of sex/gender is often a focus for NI research, and may be motivated by a desire to better understand general developmental principles, mental health problems that show female-male disparities, and gendered differences in society. In order to ensure the maximum possible contribution of NI research to these goals, we draw attention to four key principles—overlap, mosaicism, contingency and entanglement—that have emerged from sex/gender research and that should inform NI research design, analysis and interpretation. We discuss the implications of these principles in the form of constructive guidelines and suggestions for researchers, editors, reviewers and science communicators. PMID:25221493

  11. Recommendations for sex/gender neuroimaging research: Key principles and implications for research design, analysis and interpretation

    Directory of Open Access Journals (Sweden)

    Gina eRippon

    2014-08-01

    Full Text Available For over a decade, neuroimaging (NI technologies have had an increasing impact in the study of complex cognitive and social processes. In this emerging field of social cognitive neuroscience, a central goal should be to increase the understanding of the interaction between the neurobiology of the individual and the environment in which s/he develops and functions. The study of the relationship between sex and gender could offer a valuable example of such research. We identify here four main principles that should inform NI research. First, the principle of overlap, arising from evidence of significant overlap of female/male distributions on measures of many gendered behaviours. Second, the principle of mosaicism, arising from evidence that for both behaviour and brain, each individual manifests a complex and idiosyncratic combination of feminine and masculine characteristics. Third, the principle of contingency, arising from evidence that female/male behavioural differences are contingent on time, place, social group and context. Fourth, the principle of entanglement, arising from an awareness that the neural phenotypes that NI techniques measure are a function of the interactive and reciprocal influence of biology and environment. These important principles have emerged and become well-established over the past few decades, but their implications are often not reflected in the design and interpretation of NI sex/gender research. We therefore offer a set of guidelines for researchers to ensure that NI sex/gender research is appropriately designed and interpreted. We hope this ‘toolkit’ will also be of use to editorial boards and journal reviewers, as well as those who view, communicate and interpret such research.

  12. Current organic chemistry

    National Research Council Canada - National Science Library

    1997-01-01

    Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

  13. Interfacial chemistry and the design of solid-phase nucleic acid hybridization assays using immobilized quantum dots as donors in fluorescence resonance energy transfer.

    Science.gov (United States)

    Algar, W Russ; Krull, Ulrich J

    2011-01-01

    The use of quantum dots (QDs) as donors in fluorescence resonance energy transfer (FRET) offer several advantages for the development of multiplexed solid-phase QD-FRET nucleic acid hybridization assays. Designs for multiplexing have been demonstrated, but important challenges remain in the optimization of these systems. In this work, we identify several strategies based on the design of interfacial chemistry for improving sensitivity, obtaining lower limits of detection (LOD) and enabling the regeneration and reuse of solid-phase QD-FRET hybridization assays. FRET-sensitized emission from acceptor dyes associated with hybridization events at immobilized QD donors provides the analytical signal in these assays. The minimization of active sensing area reduces background from QD donor PL and allows the resolution of smaller amounts of acceptor emission, thus lowering the LOD. The association of multiple acceptor dyes with each hybridization event can enhance FRET efficiency, thereby improving sensitivity. Many previous studies have used interfacial protein layers to generate selectivity; however, transient destabilization of these layers is shown to prevent efficient regeneration. To this end, we report a protein-free interfacial chemistry and demonstrate the specific detection of as little as 2 pmol of target, as well as an improved capacity for regeneration.

  14. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

  15. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

  16. Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry.

    Science.gov (United States)

    Gill, Arran M; Hinde, Christopher S; Leary, Rowan K; Potter, Matthew E; Jouve, Andrea; Wells, Peter P; Midgley, Paul A; Thomas, John M; Raja, Robert

    2016-03-08

    Highly active and selective aerobic oxidation of KA-oil to cyclohexanone (precursor for adipic acid and ɛ-caprolactam) has been achieved in high yields using continuous-flow chemistry by utilizing uncapped noble-metal (Au, Pt & Pd) nanoparticle catalysts. These are prepared using a one-step in situ methodology, within three-dimensional porous molecular architectures, to afford robust heterogeneous catalysts. Detailed spectroscopic characterization of the nature of the active sites at the molecular level, coupled with aberration-corrected scanning transmission electron microscopy, reveals that the synthetic methodology and associated activation procedures play a vital role in regulating the morphology, shape and size of the metal nanoparticles. These active centers have a profound influence on the activation of molecular oxygen for selective catalytic oxidations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

    International Nuclear Information System (INIS)

    Ito, Yuki; Jung, Changho; Luo, Yi; Koyama, Michihisa; Endou, Akira; Kubo, Momoji; Imamura, Akira; Miyamoto, Akira

    2006-01-01

    Recently, we have developed a new tight-binding quantum chemical molecular dynamics program 'Colors' for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO 2 (111) support. Significant electron transfer from the Pt particle to the CeO 2 (111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO 2 surface is a main reason for the strong interaction of the Pt particle and CeO 2 (111) support

  18. Factoring in weather variation to capture the influence of urban design and built environment on globally recommended levels of moderate to vigorous physical activity in children.

    Science.gov (United States)

    Katapally, Tarun Reddy; Rainham, Daniel; Muhajarine, Nazeem

    2015-11-30

    In curbing physical inactivity, as behavioural interventions directed at individuals have not produced a population-level change, an ecological perspective called active living research has gained prominence. However, active living research consistently underexplores the role played by a perennial phenomenon encompassing all other environmental exposures-variation in weather. After factoring in weather variation, this study investigated the influence of diverse environmental exposures (including urban design and built environment) on the accumulation of globally recommended moderate to vigorous physical activity levels (MVPA) in children. This cross-sectional observational study is part of an active living initiative set in the Canadian prairie city of Saskatoon. As part of this study, Saskatoon's neighbourhoods were classified based on urban street design into grid-pattern, fractured grid-pattern and curvilinear types of neighbourhoods. Moreover, diverse environmental exposures were measured including, neighbourhood built environment, and neighbourhood and household socioeconomic environment. Actical accelerometers were deployed between April and June 2010 (spring-summer) to derive MVPA of 331 10-14-year-old children in 25 1-week cycles. Each cycle of accelerometry was conducted on a different cohort of children within the total sample and matched with weather data obtained from Environment Canada. Multilevel modelling using Hierarchical Linear and Non-linear Modelling software was conducted by factoring in weather variation to depict the influence of diverse environmental exposures on the accumulation of recommended MVPA. Urban design, including diversity of destinations within neighbourhoods played a significant role in the accumulation of MVPA. After factoring in weather variation, it was observed that children living in neighbourhoods closer to the city centre (with higher diversity of destinations) were more likely to accumulate recommended MVPA. The findings

  19. Qualitative process evaluation of an Australian alcohol media literacy study: recommendations for designing culturally responsive school-based programs

    Directory of Open Access Journals (Sweden)

    Chloe S. Gordon

    2017-02-01

    -elementary school classrooms were identified. These included topic sensitivities, classroom management challenges, and fitting new programs into already busy school schedules. Conclusion Overall, the program content and individual lessons were well received by the teachers and students. The lessons learned from the development, implementation and evaluation of this program can provide health professionals with key pedagogical strategies for designing culturally responsive educational programs. Culturally responsive programs are critical for ensuring interventions are effective for their specific context.

  20. Qualitative process evaluation of an Australian alcohol media literacy study: recommendations for designing culturally responsive school-based programs.

    Science.gov (United States)

    Gordon, Chloe S; Kervin, Lisa K; Jones, Sandra C; Howard, Steven J

    2017-02-02

    sensitivities, classroom management challenges, and fitting new programs into already busy school schedules. Overall, the program content and individual lessons were well received by the teachers and students. The lessons learned from the development, implementation and evaluation of this program can provide health professionals with key pedagogical strategies for designing culturally responsive educational programs. Culturally responsive programs are critical for ensuring interventions are effective for their specific context.

  1. User Preferences and Design Recommendations for an mHealth App to Promote Cystic Fibrosis Self-Management.

    Science.gov (United States)

    Hilliard, Marisa E; Hahn, Amy; Ridge, Alana K; Eakin, Michelle N; Riekert, Kristin A

    2014-10-24

    mHealth apps hold potential to provide automated, tailored support for treatment adherence among individuals with chronic medical conditions. Yet relatively little empirical research has guided app development and end users are infrequently involved in designing the app features or functions that would best suit their needs. Self-management apps may be particularly useful for people with chronic conditions like cystic fibrosis (CF) that have complex, demanding regimens. The aim of this mixed-methods study was to involve individuals with CF in guiding the development of engaging, effective, user-friendly adherence promotion apps that meet their preferences and self-management needs. Adults with CF (n=16, aged 21-48 years, 50% male) provided quantitative data via a secure Web survey and qualitative data via semi-structured telephone interviews regarding previous experiences using apps in general and for health, and preferred and unwanted features of potential future apps to support CF self-management. Participants were smartphone users who reported sending or receiving text messages (93%, 14/15) or emails (80%, 12/15) on their smartphone or device every day, and 87% (13/15) said it would be somewhat or very hard to give up their smartphone. Approximately one-half (53%, 8/15) reported having health apps, all diet/weight-related, yet many reported that existing nutrition apps were not well-suited for CF management. Participants wanted apps to support CF self-management with characteristics such as having multiple rather than single functions (eg, simple alarms), being specific to CF, and minimizing user burden. Common themes for desired CF app features were having information at one's fingertips, automation of disease management activities such as pharmacy refills, integration with smartphones' technological capabilities, enhancing communication with health care team, and facilitating socialization within the CF community. Opinions were mixed regarding gamification and

  2. Development of preliminary design concept for a multifunction display and control system for the Orbiter crew station. Task 4: Design concept recommendation

    Science.gov (United States)

    Spiger, R. J.; Farrell, R. J.; Holcomb, G. A.

    1982-01-01

    Application of multifunction display and control systems to the NASA Orbiter spacecraft offers the potential for reducing crew workload and improving the presentation of system status and operational data to the crew. A design concept is presented for the application of a multifunction display and control system (MFDCS) to the Orbital Maneuvering System and Electrical Power Distribution and Control System on the Orbiter spacecraft. The MFDCS would provide the capability for automation of procedures, fault prioritization and software reconfiguration of the MFDCS data base. The MFDCS would operate as a stand-alone processor to minimize the impact on the current Orbiter software. Supervisory crew command of all current functions would be retained through the use of several operating modes in the system. Both the design concept and the processes followed in defining the concept are described.

  3. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  4. Recommender Systems for Learning

    CERN Document Server

    Manouselis, Nikos; Verbert, Katrien; Duval, Erik

    2013-01-01

    Technology enhanced learning (TEL) aims to design, develop and test sociotechnical innovations that will support and enhance learning practices of both individuals and organisations. It is therefore an application domain that generally covers technologies that support all forms of teaching and learning activities. Since information retrieval (in terms of searching for relevant learning resources to support teachers or learners) is a pivotal activity in TEL, the deployment of recommender systems has attracted increased interest. This brief attempts to provide an introduction to recommender systems for TEL settings, as well as to highlight their particularities compared to recommender systems for other application domains.

  5. A randomized controlled trial to evaluate utilization of physical activity recommendations among patients of cardiovascular healthcare centres in Eastern Slovakia: study design and rationale of the AWATAR study.

    Science.gov (United States)

    Zelko, Aurel; Bukova, Alena; Kolarcik, Peter; Bakalar, Peter; Majercak, Ivan; Potocnikova, Jana; Reijneveld, Sijmen A; van Dijk, Jitse P

    2018-04-04

    Guidelines on modifiable risk factors regarding cardiological patients are poorly implemented in clinical practice perhaps due to low health literacy. Several digital tools for improving lifestyle and behavioural intervention were developed. Our primary aim is to evaluate the effectiveness of a digital exercise prescription tool on the adherence to physical activity recommendations among patients with cardiovascular diseases. A randomized controlled trial will be realized in cooperation with Cardiovascular Health Centres in Eastern Slovakia. Patients recruited through their cardiologists, will be randomised at 1:1 ratio to the three-months' experimental condition or control condition. The experimental group will receive standard lifestyle consultation leading to individually optimized prescription of physical activity. The control group will receive standard, usual-cardio-care lifestyle counselling, also in the domain of physical activity. The digital system will be used for optimized exercise prescription. The primary outcome is a change in the patient's adherence to exercise recommendations. Data will be collected in both groups prior to consultation and after 3 months. This study protocol presents background and design of a randomized control trial to investigate the effectiveness of a digital system-provide exercise prescription tool on the adherence to physical activity recommendations. An optimized exercise prescription that better reflects patient's diagnosis, comorbidities and medication can have a significant impact on secondary prevention of cardiovascular disease. This trial can provide important evidence about the effectiveness of digital exercise guidance in everyday practice of cardiovascular healthcare. The study was registered on 1st November, 2017 and is available online at ClinicalTrials.gov (ID: NCT03329053 ).

  6. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  7. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Seong

    1993-02-15

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  8. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  9. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-15

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  10. Analytical chemistry

    International Nuclear Information System (INIS)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-01

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  11. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  12. PWR secondary water chemistry guidelines: Revision 3

    International Nuclear Information System (INIS)

    Lurie, S.; Bucci, G.; Johnson, L.; King, M.; Lamanna, L.; Morgan, E.; Bates, J.; Burns, R.; Eaker, R.; Ward, G.; Linnenbom, V.; Millet, P.; Paine, J.P.; Wood, C.J.; Gatten, T.; Meatheany, D.; Seager, J.; Thompson, R.; Brobst, G.; Connor, W.; Lewis, G.; Shirmer, R.; Gillen, J.; Kerns, M.; Jones, V.; Lappegaard, S.; Sawochka, S.; Smith, F.; Spires, D.; Pagan, S.; Gardner, J.; Polidoroff, T.; Lambert, S.; Dahl, B.; Hundley, F.; Miller, B.; Andersson, P.; Briden, D.; Fellers, B.; Harvey, S.; Polchow, J.; Rootham, M.; Fredrichs, T.; Flint, W.

    1993-05-01

    An effective, state-of-the art secondary water chemistry control program is essential to maximize the availability and operating life of major PWR components. Furthermore, the costs related to maintaining secondary water chemistry will likely be less than the repair or replacement of steam generators or large turbine rotors, with resulting outages taken into account. The revised PWR secondary water chemistry guidelines in this report represent the latest field and laboratory data on steam generator corrosion phenomena. This document supersedes Interim PWR Secondary Water Chemistry Recommendations for IGA/SCC Control (EPRI report TR-101230) as well as PWR Secondary Water Chemistry Guidelines--Revision 2 (NP-6239)

  13. Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

    Science.gov (United States)

    Harrison, Aline M.

    1989-01-01

    Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…

  14. Guidelines for pre-clinical assessment of the acetylcholine receptor-specific passive transfer myasthenia gravis model - recommendations for methods and experimental designs

    Science.gov (United States)

    Kusner, Linda L.; Losen, Mario; Vincent, Angela; Lindstrom, Jon; Tzartos, Socrates; Lazaridis, Konstantinos; Martinez-Martinez, Pilar

    2015-01-01

    Antibodies against the muscle acetylcholine receptor (AChR) are the most common cause of myasthenia gravis (MG). Passive transfer of AChR antibodies from MG patients into animals reproduces key features of human disease, including antigenic modulation of the AChR, complement-mediated damage of the neuromuscular junction, and muscle weakness. Similarly, AChR antibodies generated by active immunization in experimental autoimmune MG models can subsequently be passively transferred to other animals and induce weakness. The passive transfer model is useful to test therapeutic strategies aimed at the effector mechanism of the autoantibodies. Here we summarize published and unpublished experience using the AChR passive transfer MG model in mice, rats and rhesus monkeys, and give recommendations for the design of preclinical studies in order to facilitate translation of positive and negative results to improve MG therapies. PMID:25743217

  15. Invited review: Recommendations for reporting intervention studies on reproductive performance in dairy cattle: Improving design, analysis, and interpretation of research on reproduction.

    Science.gov (United States)

    Lean, Ian J; Lucy, Matthew C; McNamara, John P; Bradford, Barry J; Block, Elliot; Thomson, Jennifer M; Morton, John M; Celi, Pietro; Rabiee, Ahmad R; Santos, José E P; Thatcher, William W; LeBlanc, Stephen J

    2016-01-01

    Abundant evidence from the medical, veterinary, and animal science literature demonstrates that there is substantial room for improvement of the clarity, completeness, and accuracy of reporting of intervention studies. More rigorous reporting guidelines are needed to improve the quality of data available for use in comparisons of outcomes (or meta-analyses) of multiple studies. Because of the diversity of factors that affect reproduction and the complexity of interactions between these, a systematic approach is required to design, conduct, and analyze basic and applied studies of dairy cattle reproduction. Greater consistency, clarity, completeness, and correctness of design and reporting will improve the value of each report and allow for greater depth of evaluation in meta-analyses. Each of these benefits will improve understanding and application of current knowledge and better identify questions that require additional modeling or primary research. The proposed guidelines and checklist will aid in the design, conduct, analysis, and reporting of intervention studies. We propose an adaptation of the REFLECT (Reporting Guidelines for Randomized Controlled Trials for Livestock and Food Safety) statement to provide guidelines and a checklist specific to reporting intervention studies in dairy cattle reproduction. Furthermore, we provide recommendations that will assist investigators to produce studies with greater internal and external validity that can more often be included in systematic reviews and global meta-analyses. Such studies will also assist the development of models to describe the physiology of reproduction. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  16. International recommendations

    International Nuclear Information System (INIS)

    Lindell, Bo

    1986-01-01

    Full text: This short presentation will indicate the general radiation protection background to protective measures against foodstuffs contaminated with radioactive substances. A number of international organizations are involved in various aspects of radiation protection, for example, the International Atomic Energy Agency (IAEA), the United Nations Food and Agriculture Organization (FAO), the United Nations Environment Programme (UNEP), and the World Health Organization (WHO). Two international organizations, however, provide the basic background. These are the International Commission on Radiological Protection (ICRP) and the United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR). UNSCEAR provides the scientific information on radiation levels and effects. It consists of 21 member countries, with truly international coverage. It issues reports to the UN General Assembly, including comprehensive scientific annexes. Its latest comprehensive report was issued in 1982, the next is expected to be published in 1988. That report will include an assessment of the radiological consequences of the Chernobyl accident. The ICRP is a non-governmental organization. It has issued recommendations on radiation protection since 1928. The postulated biological basis for radiation protection recommendations involves two types of biological effects. The so-called non-stochastic effects, mainly due to cell death, appear only when the radiation doses exceed a certain threshold value. These effects, therefore, can only appear after high accidental exposures. After the Chernobyl accident, they only affected about 200 individuals involved in fire extinction and rescue work at the damaged nuclear power plant. Stochastic effects, with some simplification, may be seen as the result of initial changes in the genetic code of some surviving cells. If these cells are germ cells, this may lead to hereditary harm. If they are somatic cells, the result could be cancer

  17. A Chemistry Concept Reasoning Test

    Science.gov (United States)

    Cloonan, Carrie A.; Hutchinson, John S.

    2011-01-01

    A Chemistry Concept Reasoning Test was created and validated providing an easy-to-use tool for measuring conceptual understanding and critical scientific thinking of general chemistry models and theories. The test is designed to measure concept understanding comparable to that found in free-response questions requiring explanations over…

  18. Antiparallel Dynamic Covalent Chemistries

    NARCIS (Netherlands)

    Matysiak, Bartosz M.; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G.; Liu, Bin; Komaromy, David; Otto, Sijbren

    2017-01-01

    The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has, proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we

  19. News: Green Chemistry & Technology

    Science.gov (United States)

    A series of 21 articles focused on different features of green chemistry in a recent issue of Chemical Reviews. Topics extended over a wide range to include the design of sustainable synthetic processes to biocatalysis. A selection of perspectives follows as part of this colu

  20. 3,4-methylenedioxypyrovalerone (MDPV): chemistry, pharmacology and toxicology of a new designer drug of abuse marketed online.

    Science.gov (United States)

    Coppola, M; Mondola, R

    2012-01-05

    The illicit marketplace of substances of abuse continually offers for sale legal alternatives to controlled drugs to a large public. In recent years, a new group of designer drugs, the synthetic cathinones, has emerged as a new trend, particularly among young people. The 3,4-methylenedioxypyrovalerone (MDPV), one of this synthetic compounds, caused an international alert for its cardiovascular and neurological toxicity. This substance, sold as bath salts, has caused many serious intoxications and some deaths in several countries. The aim of this paper is summarise the clinical, pharmacological and toxicological information about this new designer drug. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  1. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-11-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx bimetallic catalysts is also prepared by ion-exchange (IE). According to the results of STEM, XAS and H2 chemisorption, all bimetallic nanoparticles, prepared using neither SOMC nor IE, produce discrete formation of monometallic species (either Pt or Pd). Most catalysts exhibit a narrow particle size distribution with an average diameter ranging from 1 to 3 nm for samples prepared by IE and from 2 to 5 nm for the ones synthesized by SOMC. For all catalysts investigated in the present work, iso-butane reaction with hydrogen under differential conditions (conversions below 5%) leads to the formation of methane and propane (hydrogenolysis), n-butane (isomerization), and traces of iso-butylene (dehydrogenation). The total rate of reaction decreases with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate (expressed as moles converted per total surface metal per second) of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the results suggest a selective coverage of Pt (100) surface by a Pd layer, followed by a buildup of Pd overcoat onto a Pd layer assuming that each metal keeps its intrinsic catalytic properties. There is no mutual electronic charge transfer between the two metals (DFT). For the PtPd catalysts prepared by IE, the catalytic behavior cannot simply be explained by a surface coverage of highly active Pt metal by less active Pd (not observed), suggesting there is formation of a surface alloy between Pt and Pd collaborated by EXAFS and DFT. The catalytic results are explained by a simple structure activity relationship based on the previously proposed mechanism of C-H bond and C-C Bond activation and cleavage for iso-butane hydrogenolysis

  2. Modeling individual differences in randomized experiments using growth models: Recommendations for design, statistical analysis and reporting of results of internet interventions

    Directory of Open Access Journals (Sweden)

    Hugo Hesser

    2015-05-01

    Full Text Available Growth models (also known as linear mixed effects models, multilevel models, and random coefficients models have the capability of studying change at the group as well as the individual level. In addition, these methods have documented advantages over traditional data analytic approaches in the analysis of repeated-measures data. These advantages include, but are not limited to, the ability to incorporate time-varying predictors, handle dependence among repeated observations in a very flexible manner, and to provide accurate estimates with missing data under fairly unrestrictive missing data assumptions. The flexibility of the growth curve modeling approach to the analysis of change makes it the preferred choice in the evaluation of direct, indirect and moderated intervention effects. Although offering many benefits, growth models present challenges in terms of design, analysis and reporting of results. This paper provides a nontechnical overview of growth models in the analysis of change in randomized experiments and advocates for their use in the field of internet interventions. Practical recommendations for design, analysis and reporting of results from growth models are provided.

  3. OARSI Clinical Trials Recommendations

    DEFF Research Database (Denmark)

    Emery, C. A.; Roos, Ewa M.; Verhagen, E.

    2015-01-01

    The risk of post-traumatic osteoarthritis (PTOA) substantially increases following joint injury. Research efforts should focus on investigating the efficacy of preventative strategies in high quality randomized controlled trials (RCT). The objective of these OARSI RCT recommendations is to inform...... the design, conduct and analytical approaches to RCTs evaluating the preventative effect of joint injury prevention strategies. Recommendations regarding the design, conduct, and reporting of RCTs evaluating injury prevention interventions were established based on the consensus of nine researchers...... internationally with expertise in epidemiology, injury prevention and/or osteoarthritis (OA). Input and resultant consensus was established through teleconference, face to face and email correspondence over a 1 year period. Recommendations for injury prevention RCTs include context specific considerations...

  4. Present address of cutting-edge chemistry in Korea

    International Nuclear Information System (INIS)

    2007-01-01

    This introduces the research center, company and chemistry department with excellent results. This book lists the name of those, which are organic molecule design laboratory by Sunmun university, intelligence Nano technology research center by Biotechnology, Ewha university, Nano chemistry laboratory by Department of chemistry, Yonsei university, science education research center by Haying university, solid chemistry laboratory by Department of Nano science, Ewha university, the center of innovation of chemistry industry with R and D by LG chemistry, Korea Research Institute of Chemical Technology, Department of Chemistry, Sogang university, Department of Chemistry, Busan university and Department of Chemistry, Dankook university.

  5. Experimental design a chemometric approach

    CERN Document Server

    Deming, SN

    1987-01-01

    Now available in a paperback edition is a book which has been described as ``...an exceptionally lucid, easy-to-read presentation... would be an excellent addition to the collection of every analytical chemist. I recommend it with great enthusiasm.'' (Analytical Chemistry). Unlike most current textbooks, it approaches experimental design from the point of view of the experimenter, rather than that of the statistician. As the reviewer in `Analytical Chemistry' went on to say: ``Deming and Morgan should be given high praise for bringing the principles of experimental design to the level of the p

  6. General chemistry

    International Nuclear Information System (INIS)

    Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

    1993-07-01

    The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

  7. Radiation chemistry

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1983-01-01

    The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

  8. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  9. Focal plane subsystem design and performance for atmospheric chemistry from geostationary orbit tropospheric emissions monitoring of pollution

    Science.gov (United States)

    Gilmore, A. S.; Philbrick, R. H.; Funderburg, J.

    2017-09-01

    Remote sensing of pollutants are enabled from a satellite in a geostationary orbit containing an imaging spectrometer encompassing the wavelength ranges of 290 - 490 nm and 540 - 740 nm. As the first of NASA's Earth Venture Instrument Program, the Tropospheric Emissions: Monitoring of Pollution (TEMPO) program will utilize this instrument to measure hourly air quality over a large portion of North America. The focal plane subsystem (FPS) contains two custom designed and critically aligned full frame transfer charge coupled devices (active area: 1028 x 2048, 18 μm) within a focal plane array package designed for radiation tolerance and space charging rejection. In addition, the FPS contains custom distributed focal plane electronics that provide all necessary clocks and biases to the sensors, receives all analog data from the sensors and performs 14 bit analog to digital conversion for upstream processing. Finally, the FPS encompasses custom low noise cables connecting the focal plane array and associated electronics. This paper discusses the design and performance of this novel focal plane subsystem with particular emphasis on the optical performance achieved including alignment, quantum efficiency, and modulation transfer function.

  10. Supramolecular chemistry and crystal engineering*

    Indian Academy of Sciences (India)

    Administrator

    two important prototypes – the large unit cell of elusive saccharin hydrate, .... tures that are able to guide the rational design of .... methanolyated complex could be regenerated to the ..... turn all of chemistry on its ear, since one of chemis-.

  11. Combining supramolecular chemistry with biology

    NARCIS (Netherlands)

    Uhlenheuer, D.A.; Petkau - Milroy, K.; Brunsveld, L.

    2010-01-01

    Supramolecular chemistry has primarily found its inspiration in biological molecules, such as proteins and lipids, and their interactions. Currently the supramolecular assembly of designed compounds can be controlled to great extent. This provides the opportunity to combine these synthetic

  12. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  13. Organic Chemistry Self Instructional Package 2: Methane.

    Science.gov (United States)

    Zdravkovich, V.

    This booklet, one of a series of 17 developed at Prince George's Community College, Largo, Maryland, provides an individualized, self-paced undergraduate organic chemistry instruction module designed to augment any course in organic chemistry but particularly those taught using the text "Organic Chemistry" by Morrison and Boyd. The…

  14. Organic Chemistry Self Instructional Package 12: Alkynes.

    Science.gov (United States)

    Zdravkovich, V.

    This booklet, one of a series of 17 developed at Prince George's Community College, Largo, Maryland, provides an individualized, self-paced undergraduate organic chemistry instruction module designed to augment any course in organic chemistry but particularly those taught using the text "Organic Chemistry" by Morrison and Boyd. The…

  15. Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.

    Science.gov (United States)

    Mondal, Milon; Radeva, Nedyalka; Fanlo-Virgós, Hugo; Otto, Sijbren; Klebe, Gerhard; Hirsch, Anna K H

    2016-08-01

    Fragment-based drug design (FBDD) affords active compounds for biological targets. While there are numerous reports on FBDD by fragment growing/optimization, fragment linking has rarely been reported. Dynamic combinatorial chemistry (DCC) has become a powerful hit-identification strategy for biological targets. We report the synergistic combination of fragment linking and DCC to identify inhibitors of the aspartic protease endothiapepsin. Based on X-ray crystal structures of endothiapepsin in complex with fragments, we designed a library of bis-acylhydrazones and used DCC to identify potent inhibitors. The most potent inhibitor exhibits an IC50 value of 54 nm, which represents a 240-fold improvement in potency compared to the parent hits. Subsequent X-ray crystallography validated the predicted binding mode, thus demonstrating the efficiency of the combination of fragment linking and DCC as a hit-identification strategy. This approach could be applied to a range of biological targets, and holds the potential to facilitate hit-to-lead optimization. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  16. Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment‐Based Drug Design Facilitated by Dynamic Combinatorial Chemistry

    Science.gov (United States)

    Mondal, Milon; Radeva, Nedyalka; Fanlo‐Virgós, Hugo; Otto, Sijbren; Klebe, Gerhard

    2016-01-01

    Abstract Fragment‐based drug design (FBDD) affords active compounds for biological targets. While there are numerous reports on FBDD by fragment growing/optimization, fragment linking has rarely been reported. Dynamic combinatorial chemistry (DCC) has become a powerful hit‐identification strategy for biological targets. We report the synergistic combination of fragment linking and DCC to identify inhibitors of the aspartic protease endothiapepsin. Based on X‐ray crystal structures of endothiapepsin in complex with fragments, we designed a library of bis‐acylhydrazones and used DCC to identify potent inhibitors. The most potent inhibitor exhibits an IC50 value of 54 nm, which represents a 240‐fold improvement in potency compared to the parent hits. Subsequent X‐ray crystallography validated the predicted binding mode, thus demonstrating the efficiency of the combination of fragment linking and DCC as a hit‐identification strategy. This approach could be applied to a range of biological targets, and holds the potential to facilitate hit‐to‐lead optimization. PMID:27400756

  17. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  18. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  19. Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry

    Science.gov (United States)

    Dimova, Dilyana; Stumpfe, Dagmar; Hu, Ye; Bajorath, Jürgen

    2016-01-01

    Aim: Computational design of and systematic search for a new type of molecular scaffolds termed analog series-based scaffolds. Materials & methods: From currently available bioactive compounds, analog series were systematically extracted, key compounds identified and new scaffolds isolated from them. Results: Using our computational approach, more than 12,000 scaffolds were extracted from bioactive compounds. Conclusion: A new scaffold definition is introduced and a computational methodology developed to systematically identify such scaffolds, yielding a large freely available scaffold knowledge base. PMID:28116132

  20. Design, Synthesis and Characterization of Polyethylene-Based Macromolecular Architectures by Combining Polyhomologation with Powerful Linking Chemistry

    KAUST Repository

    Alkayal, Nazeeha

    2016-09-05

    Polyhomologation is a powerful method to prepare polyethylene-based materials with controlled molecular weight, topology and composition. This dissertation focuses on the discovery of new synthetic routes to prepare polyethylene-based macromolecular architectures by combining polyhomologation with highly orthogonal and efficient linking reactions such as Diels Alder, copper-catalyzed azide-alkyne cycloaddition (CuAAC), and Glaser. Taking advantage of functionalized polyhomologation initiators, as well as of the efficient coupling chemistry, we were able to synthesize various types of polymethylene (polyethylene)-based materials with complex architectures including linear co/terpolymers, graft terpolymers, and tadpole copolymers. In the first project, a facile synthetic route towards well-defined polymethylene-based co/terpolymers, by combining the anthracene/maleimide Diels–Alder reaction with polyhomologation, is presented. For the synthesis of diblock copolymers the following approach was applied: (a) synthesis of α-anthracene-ω-hydroxy-polymethylene by polyhomologation using tri (9 anthracene-methyl propyl ether) borane as the initiator, (b) synthesis of furan-protected-maleimide-terminated poly(ε-caprolactone) or polyethylene glycol and (c) Diels–Alder reaction between anthracene and maleimide-terminated polymers. In the case of triblock terpolymers, the α-anthracene-ω-hydroxy polymethylene was used as a macroinitiator for the ring-opening polymerization of D, L-lactide to afford an anthracene-terminated PM-b-PLA copolymer, followed by the Diels–Alder reaction with furan-protected maleimide-terminated poly (ε-caprolactone) or polyethylene glycol to give the triblock terpolymers. The synthetic methodology is general and potentially applicable to a range of polymers. The coupling reaction applied in the second project of this dissertation was copper-catalyzed “click” cycloaddition of azides and alkynes (CuAAC). Novel well-defined polyethylene

  1. Filling a Plastic Bag with Carbon Dioxide: A Student-Designed Guided-Inquiry Lab for Advanced Placement and College Chemistry Courses

    Science.gov (United States)

    Lanni, Laura M.

    2014-01-01

    A guided-inquiry lab, suitable for first-year general chemistry or high school advanced placement chemistry, is presented that uses only inexpensive, store-bought materials. The reaction of sodium bicarbonate (baking soda) with aqueous acetic acid (vinegar), under the constraint of the challenge to completely fill a sealable plastic bag with the…

  2. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  3. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  4. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  5. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  6. Industrial chemistry engineering

    International Nuclear Information System (INIS)

    1993-01-01

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  7. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  8. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  9. 18FFPyKYNE, a fluoro-pyridine-based alkyne reagent designed for the fluorine-18 labelling of macromolecules using click chemistry

    International Nuclear Information System (INIS)

    Kuhnast, B.; Hinnen, F.; Tavitian, B.; Dolle, F.; Tavitian, B.

    2008-01-01

    [ 18 F]FPyKYNE (2-fluoro-3-pent-4-yn-1-yloxy-pyridine) is a novel fluoro-pyridine-based structure, designed for the fluorine-18 labelling of macromolecules using copper-catalysed Huisgen 1,3-dipolar cycloaddition (click chemistry). FPyKYNE (non-labelled as reference), as well as the 2-bromo, 2-nitro and 2-trimethylammonium analogues (as precursors for labelling with fluorine-18), was synthesized in 44, 95, 60 and 41%, respectively, from commercially available 5-chloro-pent-1-yne and the appropriate 2-substituted-3-hydroxypyridines. [ 18 F]FPyKYNE was synthesized in one single radiochemical step by reaction of no-carrier-added K[ 18 F]F-Kryptofix 222 (DMSO, 165 degrees C, 3-5 min) followed by C-18 SepPak cartridge pre-purification and finally semi-preparative HPLC purification on a Hewlett Packard SiO 2 Zorbax (R) Rx-SIL. Using the 2-nitropyridine or the pyridin-2-yl-trimethylammonium trifluoro-methanesulphonate precursor for labelling (30 and 10 μ mol, respectively), incorporation yields up to 90% were observed and 7.0-8.9 GBq (190-240 mCi) of [F-18]FPyKYNE ([ 18 F]-1) could be isolated within 60-70 min (HPLC purification included), starting from a 37.0 GBq (1.0 Ci) [ 18 F]fluoride batch (overall decay-corrected and isolated yields: 30-35%). (authors)

  10. Reversible TAD Chemistry as a Convenient Tool for the Design of (Re)processable PCL-Based Shape-Memory Materials.

    Science.gov (United States)

    Defize, Thomas; Riva, Raphaël; Thomassin, Jean-Michel; Alexandre, Michaël; Herck, Niels Van; Prez, Filip Du; Jérôme, Christine

    2017-01-01

    A chemically cross-linked but remarkably (re)processable shape-memory polymer (SMP) is designed by cross-linking poly(ε-caprolactone) (PCL) stars via the efficient triazolinedione click chemistry, based on the very fast and reversible Alder-ene reaction of 1,2,4-triazoline-3,5-dione (TAD) with indole compounds. Typically, a six-arm star-shaped PCL functionalized by indole moieties at the chain ends is melt-blended with a bisfunctional TAD, directly resulting in a cross-linked PCL-based SMP without the need of post-curing treatment. As demonstrated by the stress relaxation measurement, the labile character of the TAD-indole adducts under stress allows for the solid-state plasticity reprocessing of the permanent shape at will by compression molding of the raw cross-linked material, while keeping excellent shape-memory properties. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Recommendation systems in software engineering

    CERN Document Server

    Robillard, Martin P; Walker, Robert J; Zimmermann, Thomas

    2014-01-01

    With the growth of public and private data stores and the emergence of off-the-shelf data-mining technology, recommendation systems have emerged that specifically address the unique challenges of navigating and interpreting software engineering data.This book collects, structures and formalizes knowledge on recommendation systems in software engineering. It adopts a pragmatic approach with an explicit focus on system design, implementation, and evaluation. The book is divided into three parts: "Part I - Techniques" introduces basics for building recommenders in software engineering, including techniques for collecting and processing software engineering data, but also for presenting recommendations to users as part of their workflow.?"Part II - Evaluation" summarizes methods and experimental designs for evaluating recommendations in software engineering.?"Part III - Applications" describes needs, issues and solution concepts involved in entire recommendation systems for specific software engineering tasks, fo...

  12. High-School Chemistry Teaching through Environmentally Oriented Curricula

    Science.gov (United States)

    Mandler, Daphna; Mamlok-Naaman, Rachel; Blonder, Ron; Yayon, Malka; Hofstein, Avi

    2012-01-01

    Discussions held in the chemical education community have generated a variety of reports and recommendations for reforming the chemistry curriculum. The recommendations refer to teaching chemistry in the context of real-world issues. This has been suggested as a way to enhance students' motivation. It is suggested that real-world problems…

  13. A recommended epidemiological study design for examining the adverse health effects among emergency workers who experienced the TEPCO fukushima daiichi NPP accident in 2011.

    Science.gov (United States)

    Yasui, Shojiro

    2016-01-01

    Results from medical examinations conducted in 2012 of workers who were engaged in radiation work in 2012 as a result of the 2011 Fukushima Daiichi Nuclear Power Plant (NPP) accident showed that the prevalence of abnormal findings was 4.21%, 3.23 points higher than the 0.98% that was found prior to the accident in the jurisdiction area of the labor inspection office which holds jurisdiction over the NPP. The Ministry of Health, Labour and Welfare (MHLW) concluded that the 2010 and 2012 data cannot be easily compared because 70% of the enterprises within the jurisdiction of the office that reported the 2012 results were different from those that did so in 2010. In addition, although the radiation workers' estimated average dose weighted by number of workers was 3.66 times higher than decontamination workers' dose, the prevalence among radiation workers was only 1.14 times higher than that among decontamination workers. Based on the results of the medical examinations, however, the MHLW decided to implement an epidemiological study on the health effects of radiation exposure on all emergency workers. This article explains key issues of the basic design of the study recommended by the expert meeting established in the MHLW and also identifies challenges that could not be resolved and thus required further consideration by the study researchers. The major issues included: (a) study methods and target group; (b) evaluation of cumulative doses; (c) health effects (end points); (d) control of confounding factors; and (e) study implementation framework. Identified key challenges that required further deliberation were: (a) preventing arbitrary partisan analysis; (b) ensuring a high participation rate; (c) inquiry about the medical radiation doses; and (d) the preparedness of new analytical technology. The study team formulated and implemented the pilot study in 2014 and started the full-scale study in April 2015 with funding from a research grant from the MHLW.

  14. Principles of Chemistry (by Michael Munowitz)

    Science.gov (United States)

    Kovac, Reviewed By Jeffrey

    2000-05-01

    At a time when almost all general chemistry textbooks seem to have become commodities designed by marketing departments to offend no one, it is refreshing to find a book with a unique perspective. Michael Munowitz has written what I can only describe as a delightful chemistry book, full of conceptual insight, that uses a novel and interesting pedagogic strategy. This is a book that has much to recommend it. This is the best-written general chemistry book I have ever read. An editor with whom I have worked recently remarked that he felt his job was to help authors make their writing sing. Well, the writing in Principles of Chemistry sings with the full, rich harmonies and creative inventiveness of the King's Singers or Chanticleer. Here is the first sentence of the introduction: "Central to any understanding of the physical world is one discovery of paramount importance, a truth disarmingly simple yet profound in its implications: matter is not continuous." This is prose to be savored and celebrated. Principles of Chemistry has a distinct perspective on chemistry: the perspective of the physical chemist. The focus is on simplicity, what is common about molecules and reactions; begin with the microscopic and build bridges to the macroscopic. The author's perspective is clear from the organization of the book. After three rather broad introductory chapters, there are four chapters that develop the quantum mechanical theory of atoms and molecules, including a strong treatment of molecular orbital theory. Unlike many books, Principles of Chemistry presents the molecular orbital approach first and introduces valence bond theory later only as an approximation for dealing with more complicated molecules. The usual chapters on descriptive inorganic chemistry are absent (though there is an excellent chapter on organic and biological molecules and reactions as well as one on transition metal complexes). Instead, descriptive chemistry is integrated into the development of

  15. The status of safety in the public high school chemistry laboratories in Mississippi

    Science.gov (United States)

    Lacy, Sarah Louise Trotman

    Since laboratory-based science courses have become an essential element of any science curriculum and are required by the Mississippi Department of Education for graduation, the chemistry laboratories in the public high schools in Mississippi must be safe. The purpose of this study was to determine: the safety characteristics of a high school chemistry laboratory; the perceived safety characteristics of the chemistry laboratories in public high schools in Mississippi; the basic safety knowledge of chemistry teachers in public high schools in Mississippi, where chemistry teachers in Mississippi gain knowledge about laboratory safety and instruction; if public high school chemistry laboratories in Mississippi adhere to recommended class size, laboratory floor space per student, safety education, safety equipment, and chemical storage; and the relationship between teacher knowledge of chemistry laboratory safety and the safety status of the laboratory in which they teach. The survey instrument was composed of three parts. Part I Teacher Knowledge consisted of 23 questions concerning high school chemistry laboratory safety. Part II Chemistry Laboratory Safety Information consisted of 40 items divided into four areas of interest concerning safety in high school chemistry laboratories. Part III Demographics consisted of 11 questions relating to teacher certification, experience, education, and safety training. The survey was mailed to a designated chemistry teacher in every public high school in Mississippi. The responses to Part I of the survey indicated that the majority of the teachers have a good understanding of knowledge about chemistry laboratory safety but need more instruction on the requirements for a safe high school chemistry laboratory. Less than 50% of the responding teachers thought they had received adequate preparation from their college classes to conduct a safe chemistry laboratory. According to the responses of the teachers, most of their high school

  16. Hot functional test chemistry - long term experience

    International Nuclear Information System (INIS)

    Vonkova, K.; Kysela, J.; Marcinsky, M.; Martykan, M.

    2010-01-01

    Primary circuit materials undergo general corrosion in high temperature, deoxygenated, neutral or mildly alkaline solutions to form thin oxide films. These oxide layers (films) serve as protective film and mitigate the further corrosion of primary materials. Inner chromium-rich oxide layer has low cation diffusion coefficients and thus control iron and nickel transport from the metal surface to the outer layer and their dissolution into the coolant. Much less corrosion products are generated by the compact, integral and stable oxide (passivation) layer. For the latest Czech and Slovak stations commissioned (Temelin and Mochovce) a modified Hot Functional Test (HFT) chemistry was developed in the NRI Rez. Chromium rich surface layer formatted due to modified HTF chemistry ensures lower corrosion rates and radiation field formation and thus also mitigates crud formation during operation. This procedure was also designed to prepare the commissioned unit for the further proper water chemistry practise. Mochovce 1 (SK) was the first station commissioned using these recommendations in 1998. Mochovce 2 (1999) and Temelin 1 and 2 (CZ - 2000 and 2002) were subsequently commissioned using these guidelines too. The main principles of the controlled primary water chemistry applied during the hot functional tests are reviewed and importance of the water chemistry, technological and other relevant parameters is stressed regarding to the quality of the passive layer formed on the primary system surfaces. Samples from Mochovce indicated that duplex oxide layers up to 20 μm thick were produced, which were mainly magnetite substituted with nickel and chromium (e.g. 60-65% Fe, 18-28% Cr, 9-12% Ni, <1% Mn and 1-2% Si on a stainless steel primary circuit sample). Long term operation experience from both nuclear power plants are discussed in this paper. Radiation field, occupational radiation exposure and corrosion layers evolution during the first c. ten years of operation are

  17. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  18. Organic Chemistry in Action! What Is the Reaction?

    Science.gov (United States)

    O'Dwyer, Anne; Childs, Peter

    2015-01-01

    The "Organic Chemistry in Action!" ("OCIA!") program is a set of teaching resources designed to facilitate the teaching and learning of introductory level organic chemistry. The "OCIA!" program was developed in collaboration with practicing and experienced chemistry teachers, using findings from Chemistry Education…

  19. Solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on studies in heavy element chemistry. Topics considered are: synergistic complexes of plutonyl ion; water uptake in synergistic systems; formation constants of some uranyl BETA -diketone complexes; thermodynamic acid dissociation constants of BETA -diketones; thermodynamic formation constants of uranyl BETA -diketonates; thiocyanate complexes of some trivalent lanthanides and actinides; stability constants of actinide complexes using dinonyl naphthalenesulfonic acid extraction; TBP extraction of actinides; stability constants of complexes of Pu(III) with 5- sulfosalicycllc acid; and solvent extraction behavior of Pu( VII). (DHM)

  20. Interstellar chemistry.

    Science.gov (United States)

    Klemperer, William

    2006-08-15

    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

  1. Puzzling through General Chemistry: A Light-Hearted Approach to Engaging Students with Chemistry Content

    Science.gov (United States)

    Boyd, Susan L.

    2007-01-01

    Several puzzles are designed to be used by chemistry students as learning tools and teach them basic chemical concepts. The topics of the puzzles are based on the chapters from Chemistry, The Central Science used in general chemistry course and the puzzles are in various forms like crosswords, word searches, number searches, puzzles based on…

  2. Understanding the Impact of a General Chemistry Course on Students' Transition to Organic Chemistry

    Science.gov (United States)

    Collins-Webb, Alexandra; Jeffery, Kathleen A.; Sweeder, Ryan D.

    2016-01-01

    The move from general chemistry to organic chemistry can be a challenge for students as it often involves a transition from quantitatively-oriented to mechanistically-oriented thinking. This study found that the design of the general chemistry course can change the student experience of this transition as assessed by a reflective survey. The…

  3. Recommendations on minimum technical rules of design, exploitation and maintenance which in vivo nuclear medicine installations must comply with. Report of the working group on 'Layout of in vivo nuclear medicine installations'

    International Nuclear Information System (INIS)

    Mundler, Olivier; Filmont, Jean-Emmanuel; Estivals, Bernard; Mercier, Jacky; Guilabert, Nadine; Laffont, Sophie; Farman, Bardia; Rizzo-Padoin, Nathalie; Aubert, Bernard; Jourdain, Jean-Rene; Barbe, Remi; Douzal, Helene; Boudouin, Elodie; Faliu-Jans, Jeanne; Kiffel, Thierry; Machacek, Catherine; Marchal, Carole; Valero, Marc

    2012-01-01

    This report proposes an assessment of the current status of existing national and international arrangements in terms of design and layout of nuclear medicine departments, an identification of difficulties faced by actors (personnel as well as radiation protection inspectors) when applying the regulation, and recommendations for the elaboration of new rules of design, exploitation and maintenance of such premises while taking these problems into account

  4. A Flexible Electronic Commerce Recommendation System

    Science.gov (United States)

    Gong, Songjie

    Recommendation systems have become very popular in E-commerce websites. Many of the largest commerce websites are already using recommender technologies to help their customers find products to purchase. An electronic commerce recommendation system learns from a customer and recommends products that the customer will find most valuable from among the available products. But most recommendation methods are hard-wired into the system and they support only fixed recommendations. This paper presented a framework of flexible electronic commerce recommendation system. The framework is composed by user model interface, recommendation engine, recommendation strategy model, recommendation technology group, user interest model and database interface. In the recommender strategy model, the method can be collaborative filtering, content-based filtering, mining associate rules method, knowledge-based filtering method or the mixed method. The system mapped the implementation and demand through strategy model, and the whole system would be design as standard parts to adapt to the change of the recommendation strategy.

  5. {sup 18}FFPyKYNE, a fluoro-pyridine-based alkyne reagent designed for the fluorine-18 labelling of macromolecules using click chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kuhnast, B.; Hinnen, F.; Tavitian, B.; Dolle, F. [CEA, Serv Hosp FredericJoliot, I2BM, Inst Imagerie Biomed, F-91401 Orsay (France); Tavitian, B. [INSERM, Serv Hosp Frederic Joliot, U803, F-91401 Orsay (France)

    2008-07-01

    [{sup 18}F]FPyKYNE (2-fluoro-3-pent-4-yn-1-yloxy-pyridine) is a novel fluoro-pyridine-based structure, designed for the fluorine-18 labelling of macromolecules using copper-catalysed Huisgen 1,3-dipolar cycloaddition (click chemistry). FPyKYNE (non-labelled as reference), as well as the 2-bromo, 2-nitro and 2-trimethylammonium analogues (as precursors for labelling with fluorine-18), was synthesized in 44, 95, 60 and 41%, respectively, from commercially available 5-chloro-pent-1-yne and the appropriate 2-substituted-3-hydroxypyridines. [{sup 18}F]FPyKYNE was synthesized in one single radiochemical step by reaction of no-carrier-added K[{sup 18}F]F-Kryptofix 222 (DMSO, 165 degrees C, 3-5 min) followed by C-18 SepPak cartridge pre-purification and finally semi-preparative HPLC purification on a Hewlett Packard SiO{sub 2} Zorbax (R) Rx-SIL. Using the 2-nitropyridine or the pyridin-2-yl-trimethylammonium trifluoro-methanesulphonate precursor for labelling (30 and 10 {mu} mol, respectively), incorporation yields up to 90% were observed and 7.0-8.9 GBq (190-240 mCi) of [F-18]FPyKYNE ([{sup 18}F]-1) could be isolated within 60-70 min (HPLC purification included), starting from a 37.0 GBq (1.0 Ci) [{sup 18}F]fluoride batch (overall decay-corrected and isolated yields: 30-35%). (authors)

  6. Radiation chemistry and bioradical chemistry

    International Nuclear Information System (INIS)

    Ferradini, C.

    1991-01-01

    Oxygen metabolism results, at the cellular level, in the formation of superoxyde radical O 2 - · and probably also of hydroxyl radical OH·. Other radical species can be produced from exogenous or endogenous molecules and nearly all of them have the possibility to react with oxygen giving peroxyradicals. Some of these transients play a role in various biological processes such as phagocytosis, inflammation or ischemy although the mechanisms invoked are poorly understood. Radiation chemistry is an invaluable tool for obtaining a quantitative view of these mechanisms. A description is given of this interaction [fr

  7. computational chemistry capacity building in an underprivileged ...

    African Journals Online (AJOL)

    dell

    ABSTRACT. Computational chemistry is a fast developing branch of modern chemistry, focusing on the study of molecules to enable better understanding of the properties of substances. Its applications comprise a variety of fields, from drug design to the design of compounds with desired properties. (e.g., catalysts with ...

  8. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, K.

    1982-01-01

    The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

  9. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

    Khan, M.Z.; Chuaqui, C.A.

    1990-05-01

    The chemistry of cyclodextrins was studied. This study included synthesising some cyclodextrin derivatives, preparing selected inclusion complexes with cyclodextrin and investigating the effects of gamma irradiation on cyclodextrins and certain linear oligosaccharides. This report presents a brief review of the structure and properties of cyclodextrins, the synthesis of cyclodextrin derivatives, their complexation and applications. This is followed by a description of the synthesis of some cyclodextrin derivatives and the preparation of inclusion complexes of cyclodextrin with some organic compounds. Finally, the effects of gamma irradiation on cyclodextrins, some of their derivatives and certain structurally related carbohydrates are discussed. The gamma irradiation studies were carried out for two reasons: to study the effects of gamma irradiation on cyclodextrins and their derivatives; and to investigate selectivity during the gamma irradiation of cyclodextrin derivatives

  10. Astronomical chemistry.

    Science.gov (United States)

    Klemperer, William

    2011-01-01

    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  11. Reburning chemistry

    International Nuclear Information System (INIS)

    Kilpin, P.; Hupa, M.; Glarborg, P.

    1992-01-01

    No reduction chemistry in natural gas (methane) reburning was studied using detailed kinetic modeling. A reaction set including 225 reversible elementary gas-phase reactions and 48 chemical species was applied to an ideal plug flow reactor, and the most important reactions leading to NO reduction were identified and quantified for a number of conditions relevant for natural gas reburning. In addition, the influence of different process parameters on the NO reduction was investigated in the reburn zone and burn-out zone, respectively. Further, comparison of the calculations to available laboratory-scale data on reburning is made. In this paper, the impact of various fluid dynamic, mixing, and chemical effects---not accounted for in the calculations---on the NO reduction and the optimum reburning conditions predicted is discussed

  12. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  13. Presidential Green Chemistry Challenge: 2011 Academic Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2011 award winner, Professor Bruce H. Lipshutz, designed a novel, second-generation surfactant called TPGS-750-M. It is a designer surfactant composed of safe, inexpensive ingredients.

  14. Analytical chemistry of nuclear materials

    International Nuclear Information System (INIS)

    1966-01-01

    The second panel on the Analytical Chemistry of Nuclear Materials was organized for two purposes: first, to advise the Seibersdorf Laboratory of the Agency on its future programme, and second, to review the results of the Second International Comparison of routine analysis of trace impurities in uranium and also the action taken as a result of the recommendations of the first panel in 1962. Refs, figs and tabs

  15. Why Teach Environmental Chemistry?

    Science.gov (United States)

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  16. Promoting sustainability through green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)

    2005-06-15

    Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.

  17. Environmental chemistry. Seventh edition

    Energy Technology Data Exchange (ETDEWEB)

    Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

    1999-11-01

    This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

  18. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

  19. Recommender systems in knowledge-mining

    Science.gov (United States)

    Volna, Eva

    2017-07-01

    The subject of the paper is to analyse the possibilities of application of recommender systems in the field of data mining. The work focuses on three basic types of recommender systems (collaborative, content-based and hybrid). The goal of the article is to evaluate which of these three concepts of recommender systems provides forecast with the lowest error rate in the domain of recommending movies. This target is fulfilled by the practical part of the work - at first, the own recommender system was designed and created, capable of obtaining movies recommendation from the database based on the user's preferences. Next, we verified experimentally which recommender system produces more accurate results.

  20. Water chemistry

    International Nuclear Information System (INIS)

    Hofstetter, K.J.; Baston, V.F.

    1986-01-01

    Prior to the accident, the coolants in the primary and secondary systems were within normal chemistry specifications for an operating pressurized water reactor with once-through steam generators. During and immediately after the accident, additional boric acid and sodium hydroxide were added to the primary coolant for control of criticality and radioiodine solubility. A primary to secondary leak developed contaminating the water in one steam generator. For about 5 years after the accident, the primary coolant was maintained at 3800 +. 100 ppm boron and 1000 +. 100 ppm sodium concentrations. Dissolved oxygen was maintained 7.5, corrosion caused by increased dissolved oxygen levels (up to 8 ppm) and higher chloride ion content (up to 5 ppm) is minimized. Chemical control of dissolved oxygen was discontinued and the coolant was processed. Prior to removal of the reactor vessel head, the boron concentration in the coolant was increased to ≅ 5000 ppm to support future defueling operations. Decontamination of the accident generated water is described in terms of contaminated water management. In addition, the decontamination and chemical lay-up conditions for the secondary system are presented along with an overview of chemical management at TMI-2

  1. Migration chemistry

    International Nuclear Information System (INIS)

    Carlsen, L.

    1992-05-01

    Migration chemistry, the influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour of pollutants in the environment, is an interplay between the actual natur of the pollutant and the characteristics of the environment, such as pH, redox conditions and organic matter content. The wide selection of possible pollutants in combination with varying geological media, as well as the operation of different chemical -, biochemical - and physico-chemical reactions compleactes the prediction of the influence of these processes on the mobility of pollutants. The report summarizes a wide range of potential pollutants in the terrestrial environment as well as a variety of chemical -, biochemical - and physico-chemical reactions, which can be expected to influence the migration behaviour, comprising diffusion, dispersion, convection, sorption/desorption, precipitation/dissolution, transformations/degradations, biochemical reactions and complex formation. The latter comprises the complexation of metal ions as well as non-polar organics to naturally occurring organic macromolecules. The influence of the single types of processes on the migration process is elucidated based on theoretical studies. The influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour is unambiguous, as the processes apparently control the transport of pollutants in the terrestrial environment. As the simple, conventional K D concept breaks down, it is suggested that the migration process should be described in terms of the alternative concepts chemical dispersion, average-elution-time and effective retention. (AB) (134 refs.)

  2. Multiple-Choice Exams and Guessing: Results from a One-Year Study of General Chemistry Tests Designed to Discourage Guessing

    Science.gov (United States)

    Campbell, Mark L.

    2015-01-01

    Multiple-choice exams, while widely used, are necessarily imprecise due to the contribution of the final student score due to guessing. This past year at the United States Naval Academy the construction and grading scheme for the department-wide general chemistry multiple-choice exams were revised with the goal of decreasing the contribution of…

  3. Actinide separative chemistry

    International Nuclear Information System (INIS)

    Boullis, B.

    2004-01-01

    Actinide separative chemistry has focused very heavy work during the last decades. The main was nuclear spent fuel reprocessing: solvent extraction processes appeared quickly a suitable, an efficient way to recover major actinides (uranium and plutonium), and an extensive research, concerning both process chemistry and chemical engineering technologies, allowed the industrial development in this field. We can observe for about half a century a succession of Purex plants which, if based on the same initial discovery (i.e. the outstanding properties of a molecule, the famous TBP), present huge improvements at each step, for a large part due to an increased mastery of the mechanisms involved. And actinide separation should still focus R and D in the near future: there is a real, an important need for this, even if reprocessing may appear as a mature industry. We can present three main reasons for this. First, actinide recycling appear as a key-issue for future nuclear fuel cycles, both for waste management optimization and for conservation of natural resource; and the need concerns not only major actinide but also so-called minor ones, thus enlarging the scope of the investigation. Second, extraction processes are not well mastered at microscopic scale: there is a real, great lack in fundamental knowledge, useful or even necessary for process optimization (for instance, how to design the best extracting molecule, taken into account the several notifications and constraints, from selectivity to radiolytic resistivity?); and such a need for a real optimization is to be more accurate with the search of always cheaper, cleaner processes. And then, there is room too for exploratory research, on new concepts-perhaps for processing quite new fuels- which could appear attractive and justify further developments to be properly assessed: pyro-processes first, but also others, like chemistry in 'extreme' or 'unusual' conditions (supercritical solvents, sono-chemistry, could be

  4. Intermediate-energy nuclear chemistry workshop

    Energy Technology Data Exchange (ETDEWEB)

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.

    1981-05-01

    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities.

  5. Intermediate-energy nuclear chemistry workshop

    International Nuclear Information System (INIS)

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.

    1981-05-01

    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities

  6. Marine Natural Product Chemistry and the Interim: A Novel Approach

    Science.gov (United States)

    Bland, Jeffrey S.; Medcalf, Darrell G.

    1974-01-01

    Describes a course designed to strengthen a student's background in organic chemistry, demonstrate the interfacing of chemistry and biology, expose undergraduates to graduate research, provide familiarity with instrumentation, and provide a novel field experience. (Author/GS)

  7. Recommendations and tools to design houses with passive solar cooling and mating in Mediterranean Sea; Recomendaciones y herramientas para el diseno de viviendas con calefaccion solar y climatizacion pasiva en una zona de clima mediterraneo

    Energy Technology Data Exchange (ETDEWEB)

    Muller, E.

    2004-07-01

    Recommendations for passive design and design tools based on European building codes were developed with extensive thermal simulations and a reference year especially prepared with hourly climate data from the central region of Chile. The results of the research were presented as a manual in Spanish enclosing simple design tools in an electronic spreadsheet. The design analysis is presented with a novel approach, that permits a better understanding and optimisation of the complex design balance between the demands for summer and winter in a mediterranean climate. The methodologies and approach that were developed are extended to other climatic regions. This way the investigation supports the improvement of thermal comfort conditions and the application of solar energy in dwellings as essential elements of a process of sustainable development. (Author)

  8. TOURISM RECOMMENDATION SYSTEM: EMPIRICAL INVESTIGATION

    OpenAIRE

    Biljana PETREVSKA; Saso KOCESKI

    2012-01-01

    The paper makes an attempt to justify the necessity of implementing recommendation system which will assist tourists in identification of their ideal holiday. The proposed recommendation system based on collaborative filtering notes positive impulses in the case of Macedonia. A software module is developed being capable to generate a personalized list of favorable and tailor-made items. The research outcomes indicate that the designed national tourism web portal can provide satisfactory perfo...

  9. Physical chemistry and the environment

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Garrett, B.C.; Kolb, C.E. Jr.; Shaw, R.W.; Choppin, G.R.; Wagner, A.F.

    1994-08-01

    From the ozone hole and the greenhouse effect to plastics recycling and hazardous waste disposal, society faces a number of issues, the solutions to which require an unprecedented understanding of the properties of molecules. We are coming to realize that the environment is a coupled set of chemical systems, its dynamics determining the welfare of the biosphere and of humans in particular. These chemical systems are governed by fundamental molecular interactions, and they present chemists with an unparalleled challenge. The application of current concepts of molecular behavior and of up-to-date experimental and computational techniques can provide us with insights into the environment that are needed to mitigate past damage, to anticipate the impact of current human activity, and to avoid future insults to the environment. Environmental chemistry encompasses a number of separate, yet interlocking, areas of research. In all of these areas progress is limited by an inadequate understanding of the underlying chemical processes involved. Participation of all chemical approaches -- experimental, theoretical and computational -- and of all disciplines of chemistry -- organic, inorganic, physical, analytical and biochemistry -- will be required to provide the necessary fundamental understanding. The Symposium on ''Physical Chemistry and the Environment'' was designed to bring the many exciting and challenging physical chemistry problems involved in environmental chemistry to the attention of a larger segment of the physical chemistry community

  10. Creating a Context for Chemistry

    Science.gov (United States)

    Truman Schwartz, A.

    Until relatively recently, the teaching of chemistry at the college and university level in the United States has been quite traditional and oriented primarily toward the preparation of chemists. Students not concentrating in the sciences have often been poorly served by existing courses. Chemistry in Context: Applying Chemistry to Society, a textbook for nonscience majors developed under the sponsorship of the American Chemical Society, is an effort to address the needs and interests of this audience. The book introduces the phenomena and principles of chemistry within the context of socially significant issues such as global warming, ozone depletion, alternate energy sources, nutrition, and genetic engineering. The chemistry is presented as needed to inform an understanding of the central topics, and the text features student-centered activities designed to promote critical thinking and risk-benefit analysis as well as an understanding of chemical principles. This paper summarizes the origin, development, content, pedagogy, evaluation, and influence of Chemistry in Context and considers its potential implications for other disciplines and the instruction of science majors.

  11. Electron tunneling in chemistry

    International Nuclear Information System (INIS)

    Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

    1985-01-01

    Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

  12. Recommendations for analysis of repeated-measures designs: testing and correcting for sphericity and use of manova and mixed model analysis.

    Science.gov (United States)

    Armstrong, Richard A

    2017-09-01

    A common experimental design in ophthalmic research is the repeated-measures design in which at least one variable is a within-subject factor. This design is vulnerable to lack of 'sphericity' which assumes that the variances of the differences among all possible pairs of within-subject means are equal. Traditionally, this design has been analysed using a repeated-measures analysis of variance (RM-anova) but increasingly more complex methods such as multivariate anova (manova) and mixed model analysis (MMA) are being used. This article surveys current practice in the analysis of designs incorporating different factors in research articles published in three optometric journals, namely Ophthalmic and Physiological Optics (OPO), Optometry and Vision Science (OVS), and Clinical and Experimental Optometry (CXO), and provides advice to authors regarding the analysis of repeated-measures designs. Of the total sample of articles, 66% used a repeated-measures design. Of those articles using a repeated-measures design, 59% and 8% analysed the data using RM-anova or manova respectively and 33% used MMA. The use of MMA relative to RM-anova has increased significantly since 2009/10. A further search using terms to select those papers testing and correcting for sphericity ('Mauchly's test', 'Greenhouse-Geisser', 'Huynh and Feld') identified 66 articles, 62% of which were published from 2012 to the present. If the design is balanced without missing data then manova should be used rather than RM-anova as it gives better protection against lack of sphericity. If the design is unbalanced or with missing data then MMA is the method of choice. However, MMA is a more complex analysis and can be difficult to set up and run, and care should be taken first, to define appropriate models to be tested and second, to ensure that sample sizes are adequate. © 2017 The Authors Ophthalmic & Physiological Optics © 2017 The College of Optometrists.

  13. Recommended practice for the design of a computer driven Alarm Display Facility for central control rooms of nuclear power generating stations

    International Nuclear Information System (INIS)

    Ben-Yaacov, G.

    1984-01-01

    This paper's objective is to explain the process by which design can prevent human errors in nuclear plant operation. Human factor engineering principles, data, and methods used in the design of computer driven alarm display facilities are discussed. A ''generic'', advanced Alarm Display Facility is described. It considers operator capabilities and limitations in decision-making processes, response dynamics, and human memory limitations. Highlighted are considerations of human factor criteria in the designing and layout of alarm displays. Alarm data sources are described, and their use within the Alarm Display Facility are illustrated

  14. Nutritional Chemistry

    Science.gov (United States)

    Crowley, Janice

    2004-01-01

    With the convenience of fast-food restaurants on almost every corner, many young people are consuming these foods too often. This article describes how high school students designed investigations to provide evidence that would help people make better dietary choices. Students investigated the ratio of omega-3 and omega-6 fatty acids in French…

  15. Green Chemistry with Microwave Energy

    Science.gov (United States)

    Green chemistry utilizes a set of 12 principles that reduces or eliminates the use or generation of hazardous substances in the design, manufacture, and applications of chemical products (1). This newer chemical approach protects the environment by inventing safer and eco-friendl...

  16. Green chemistry for chemical synthesis

    OpenAIRE

    Li, Chao-Jun; Trost, Barry M.

    2008-01-01

    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign.

  17. Green chemistry for chemical synthesis.

    Science.gov (United States)

    Li, Chao-Jun; Trost, Barry M

    2008-09-09

    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign.

  18. Communication style and exercise compliance in physiotherapy (CONNECT. A cluster randomized controlled trial to test a theory-based intervention to increase chronic low back pain patients’ adherence to physiotherapists’ recommendations: study rationale, design, and methods

    Directory of Open Access Journals (Sweden)

    Lonsdale Chris

    2012-06-01

    Full Text Available Abstract Background Physical activity and exercise therapy are among the accepted clinical rehabilitation guidelines and are recommended self-management strategies for chronic low back pain. However, many back pain sufferers do not adhere to their physiotherapist’s recommendations. Poor patient adherence may decrease the effectiveness of advice and home-based rehabilitation exercises. According to self-determination theory, support from health care practitioners can promote patients’ autonomous motivation and greater long-term behavioral persistence (e.g., adherence to physiotherapists’ recommendations. The aim of this trial is to assess the effect of an intervention designed to increase physiotherapists’ autonomy-supportive communication on low back pain patients’ adherence to physical activity and exercise therapy recommendations. Methods/Design This study will be a single-blinded cluster randomized controlled trial. Outpatient physiotherapy centers (N =12 in Dublin, Ireland (population = 1.25 million will be randomly assigned using a computer-generated algorithm to either the experimental or control arm. Physiotherapists in the experimental arm (two hospitals and four primary care clinics will attend eight hours of communication skills training. Training will include handouts, workbooks, video examples, role-play, and discussion designed to teach physiotherapists how to communicate in a manner that promotes autonomous patient motivation. Physiotherapists in the waitlist control arm (two hospitals and four primary care clinics will not receive this training. Participants (N = 292 with chronic low back pain will complete assessments at baseline, as well as 1 week, 4 weeks, 12 weeks, and 24 weeks after their first physiotherapy appointment. Primary outcomes will include adherence to physiotherapy recommendations, as well as low back pain, function, and well-being. Participants will be blinded to treatment allocation, as

  19. Green chemistry: A tool in Pharmaceutical Chemistry

    OpenAIRE

    Smita Talaviya; Falguni Majumdar

    2012-01-01

    Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

  20. From hot atom chemistry to epithermal chemistry

    International Nuclear Information System (INIS)

    Roessler, K.

    2004-01-01

    The rise and fall of hot atom chemistry (HAC) over the years from 1934 to 2004 is reviewed. Several applications are discussed, in particular to astrophysics and the interaction of energetic ions and atoms in space. Epithermal chemistry (ETC) is proposed to substitute the old name, since it better fits the energy range as well as the non-thermal and non-equilibrium character of the reactions. ETC also avoids the strong connexion of HAC to nuclear chemistry and stands for the opening of the field to physical chemistry and astrophysics. (orig.)

  1. Knot theory in modern chemistry.

    Science.gov (United States)

    Horner, Kate E; Miller, Mark A; Steed, Jonathan W; Sutcliffe, Paul M

    2016-11-21

    Knot theory is a branch of pure mathematics, but it is increasingly being applied in a variety of sciences. Knots appear in chemistry, not only in synthetic molecular design, but also in an array of materials and media, including some not traditionally associated with knots. Mathematics and chemistry can now be used synergistically to identify, characterise and create knots, as well as to understand and predict their physical properties. This tutorial review provides a brief introduction to the mathematics of knots and related topological concepts in the context of the chemical sciences. We then survey the broad range of applications of the theory to contemporary research in the field.

  2. Advances in BWR water chemistry

    International Nuclear Information System (INIS)

    Garcia, Susan E.; Giannelli, Joseph F.; Jarvis, Mary L.

    2012-09-01

    This paper reviews recent advances in Boiling Water Reactor (BWR) water chemistry control with examples of plant experiences at U.S. designed BWRs. Water chemistry advances provide some of the most effective methods for mitigating materials degradation, reducing fuel performance concerns and lowering radiation fields. Mitigation of stress corrosion cracking (SCC) of materials remains a high priority and improved techniques that have been demonstrated in BWRs will be reviewed, specifically hydrogen injection combined with noble metal chemical addition (NMCA) and the newer on-line noble metal application process (OLNC). Hydrogen injection performance, an important part of SCC mitigation, will also be reviewed for the BWR fleet, highlighting system improvements that have enabled earlier injection of hydrogen including the potential for hydrogen injection during plant startup. Water chemistry has been significantly improved by the application of pre-filtration and optimized use of ion exchange resins in the CP (condensate polishing) and reactor water cleanup (RWCU) systems. EPRI has monitored and supported water treatment improvements to meet water chemistry goals as outlined in the EPRI BWR Water Chemistry Guidelines, particularly those for SCC mitigation of reactor internals and piping, minimization of fuel risk due to corrosion and crud deposits and chemistry control for radiation field reduction. In recent years, a significant reduction has occurred in feedwater corrosion product input, particularly iron. A large percentage of plants are now reporting <0.1 ppb feedwater iron. The impacts to plant operation and chemistry of lower feedwater iron will be explored. Depleted zinc addition is widely practiced across the fleet and the enhanced focus on radiation reduction continues to emphasize the importance of controlling radiation source term. In addition, shutdown chemistry control is necessary to avoid excessive release of activated corrosion products from fuel

  3. Site Recommendation Subsurface Layout

    International Nuclear Information System (INIS)

    C.L. Linden

    2000-01-01

    The purpose of this analysis is to develop a Subsurface Facility layout that is capable of accommodating the statutory capacity of 70,000 metric tons of uranium (MTU), as well as an option to expand the inventory capacity, if authorized, to 97,000 MTU. The layout configuration also requires a degree of flexibility to accommodate potential changes in site conditions or program requirements. The objective of this analysis is to provide a conceptual design of the Subsurface Facility sufficient to support the development of the Subsurface Facility System Description Document (CRWMS M andO 2000e) and the ''Emplacement Drift System Description Document'' (CRWMS M andO 2000i). As well, this analysis provides input to the Site Recommendation Consideration Report. The scope of this analysis includes: (1) Evaluation of the existing facilities and their integration into the Subsurface Facility design. (2) Identification and incorporation of factors influencing Subsurface Facility design, such as geological constraints, thermal loading, constructibility, subsurface ventilation, drainage control, radiological considerations, and the Test and Evaluation Facilities. (3) Development of a layout showing an available area in the primary area sufficient to support both the waste inventories and individual layouts showing the emplacement area required for 70,000 MTU and, if authorized, 97,000 MTU

  4. The latest general chemistry

    International Nuclear Information System (INIS)

    Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

    1995-02-01

    This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

  5. Methodological issues in the design of online surveys for measuring unethical work behavior: Recommendations on the basis of a split-ballot experiment

    NARCIS (Netherlands)

    Wouters, K.; Maesschalck, J.B.; Peeters, C.F.W.; Rosen, M.

    2014-01-01

    In recent years, there has been an increasing interest in unethical work behavior. Several types of survey instruments to collect information about unethical work behavior are available. Nevertheless, to date little attention has been paid to design issues of those surveys. There are, however,

  6. Communication style and exercise compliance in physiotherapy (CONNECT): a cluster randomized controlled trial to test a theory-based intervention to increase chronic low back pain patients' adherence to physiotherapists' recommendations: study rationale, design, and methods.

    Science.gov (United States)

    Lonsdale, Chris; Hall, Amanda M; Williams, Geoffrey C; McDonough, Suzanne M; Ntoumanis, Nikos; Murray, Aileen; Hurley, Deirdre A

    2012-06-15

    Physical activity and exercise therapy are among the accepted clinical rehabilitation guidelines and are recommended self-management strategies for chronic low back pain. However, many back pain sufferers do not adhere to their physiotherapist's recommendations. Poor patient adherence may decrease the effectiveness of advice and home-based rehabilitation exercises. According to self-determination theory, support from health care practitioners can promote patients' autonomous motivation and greater long-term behavioral persistence (e.g., adherence to physiotherapists' recommendations). The aim of this trial is to assess the effect of an intervention designed to increase physiotherapists' autonomy-supportive communication on low back pain patients' adherence to physical activity and exercise therapy recommendations. This study will be a single-blinded cluster randomized controlled trial. Outpatient physiotherapy centers (N =12) in Dublin, Ireland (population = 1.25 million) will be randomly assigned using a computer-generated algorithm to either the experimental or control arm. Physiotherapists in the experimental arm (two hospitals and four primary care clinics) will attend eight hours of communication skills training. Training will include handouts, workbooks, video examples, role-play, and discussion designed to teach physiotherapists how to communicate in a manner that promotes autonomous patient motivation. Physiotherapists in the waitlist control arm (two hospitals and four primary care clinics) will not receive this training. Participants (N = 292) with chronic low back pain will complete assessments at baseline, as well as 1 week, 4 weeks, 12 weeks, and 24 weeks after their first physiotherapy appointment. Primary outcomes will include adherence to physiotherapy recommendations, as well as low back pain, function, and well-being. Participants will be blinded to treatment allocation, as they will not be told if their physiotherapist has

  7. Recent aspects of self-oscillating polymeric materials: designing self-oscillating polymers coupled with supramolecular chemistry and ionic liquid science.

    Science.gov (United States)

    Ueki, Takeshi; Yoshida, Ryo

    2014-06-14

    Herein, we summarise the recent developments in self-oscillating polymeric materials based on the concepts of supramolecular chemistry, where aggregates of molecular building blocks with non-covalent bonds evolve the temporal or spatiotemporal structure. By utilising the rhythmic oscillation of the association/dissociation of molecular aggregates coupled with the redox oscillation by the BZ reaction, novel soft materials that express similar functions as those of living matter will be achieved. Further, from the viewpoint of materials science, our recent approach to prepare self-oscillating materials that operate long-term under mild conditions will be introduced.

  8. Standardization of the experimental autoimmune myasthenia gravis (EAMG) model by immunization of rats with Torpedo californica acetylcholine receptors — Recommendations for methods and experimental designs

    Science.gov (United States)

    Losen, Mario; Martinez-Martinez, Pilar; Molenaar, Peter C.; Lazaridis, Konstantinos; Tzartos, Socrates; Brenner, Talma; Duan, Rui-Sheng; Luo, Jie; Lindstrom, Jon; Kusner, Linda

    2015-01-01

    Myasthenia gravis (MG) with antibodies against the acetylcholine receptor (AChR) is characterized by a chronic, fatigable weakness of voluntary muscles. The production of autoantibodies involves the dysregulation of T cells which provide the environment for the development of autoreactive B cells. The symptoms are caused by destruction of the postsynaptic membrane and degradation of the AChR by IgG autoantibodies, predominantly of the G1 and G3 subclasses. Active immunization of animals with AChR from mammalian muscles, AChR from Torpedo or Electrophorus electric organs, and recombinant or synthetic AChR fragments generates a chronic model of MG, termed experimental autoimmune myasthenia gravis (EAMG). This model covers cellular mechanisms involved in the immune response against the AChR, e.g. antigen presentation, T cell-help and regulation, B cell selection and differentiation into plasma cells. Our aim is to define standard operation procedures and recommendations for the rat EAMG model using purified AChR from the Torpedo californica electric organ, in order to facilitate more rapid translation of preclinical proof of concept or efficacy studies into clinical trials and, ultimately, clinical practice. PMID:25796590

  9. Learning Organic Chemistry Through Natural Products

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 10. Learning Organic Chemistry Through Natural Products Architectural Designs in Molecular Constructions. N R Krishnaswamy. Series Article Volume 1 Issue 10 October 1996 pp 37-43 ...

  10. Hypersonic Air Flow with Finite Rate Chemistry

    National Research Council Canada - National Science Library

    Boyd, Ian

    1997-01-01

    ... describe the effects of non-equilibrium flow chemistry, shock interaction, and turbulent mixing and combustion on the performance of vehicles and air breathing engines designed to fly in the hypersonic flow...

  11. Learning Organic Chemistry Through Natural Products

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Learning Organic Chemistry Through Natural Products - Architectural Designs in Molecular Constructions. N R Krishnaswamy. Volume 16 Issue 12 December 2011 pp 1287-1293 ...

  12. Contribution towards a draft revision of recommendations 681: Propagation data required for the design of Earth-space land mobile telecommunications systems

    Science.gov (United States)

    Davarian, Faramaz; Bishop, Dennis

    1993-01-01

    Propagation models that can be used for the design of earth-space land mobile-satellite telecommunications systems are presented. These models include: empirical roadside shadowing, attenuation frequency scaling, fade and non-fade duration distribution, multipath in a mountain environment, and multipath in a roadside tree environment. Propagation data from helicopter-mobile and satellite-mobile measurements in Australia and the United States were used to develop the models.

  13. Contribution Towards a Draft Revision of Recommendation 681 Propogation Data Required for the Design of Earth-Space Land Mobile Telecommunications Systems

    Science.gov (United States)

    Davarian, F.; Bishop, D.

    1993-01-01

    Propogation models that can be used for the design of Earth-space land mobile-satellite telecommunications systems are presented. These models include: empirical roadside shadowing, attenuation frequency scaling, fade and non-fade duration distribution, multipath in a mountain environment, and multipath in a roadside tree environment. Propogation data from helicopter-mobile and satellite-mobile measurements in Australia and the United States were used to develop the models.

  14. weHelp: A Reference Architecture for Social Recommender Systems.

    Science.gov (United States)

    Sheth, Swapneel; Arora, Nipun; Murphy, Christian; Kaiser, Gail

    2010-01-01

    Recommender systems have become increasingly popular. Most of the research on recommender systems has focused on recommendation algorithms. There has been relatively little research, however, in the area of generalized system architectures for recommendation systems. In this paper, we introduce weHelp : a reference architecture for social recommender systems - systems where recommendations are derived automatically from the aggregate of logged activities conducted by the system's users. Our architecture is designed to be application and domain agnostic. We feel that a good reference architecture will make designing a recommendation system easier; in particular, weHelp aims to provide a practical design template to help developers design their own well-modularized systems.

  15. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

  16. Preparative radiation chemistry

    International Nuclear Information System (INIS)

    Drawe, H.

    1978-01-01

    Preparative synthesis of compounds with the aid of radiation chemistry is increasingly used in laboratories as well as on a technical scale. A large number of new compounds has been produced with the methods of radiation chemistry. With the increasing number of available radiation sources, also the number of synthesis metods in radiation chemistry has increased. This paper can only briefly mention the many possible ways of synthesis in radiation chemistry. (orig./HK) [de

  17. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    THIS REPORT CONTAINS FOREIGN MEDIA INFORMATION FROM THE USSR CONCERNING Adsorption, Alkaloids, ANALYTICAL CHEMISTRY, CATALYSIS, ELECTROCHEMISTRY, Fertilizers, INORGANIC COMPOUNDS, ORGANOPHOSPHOROUS...

  18. Frontiers in Gold Chemistry

    OpenAIRE

    Ahmed A. Mohamed

    2015-01-01

    Basic chemistry of gold tells us that it can bond to sulfur, phosphorous, nitrogen, and oxygen donor ligands. The Frontiers in Gold Chemistry Special Issue covers gold complexes bonded to the different donors and their fascinating applications. This issue covers both basic chemistry studies of gold complexes and their contemporary applications in medicine, materials chemistry, and optical sensors. There is a strong belief that aurophilicity plays a major role in the unending applications of g...

  19. Organic chemistry experiment

    International Nuclear Information System (INIS)

    Mun, Seok Sik

    2005-02-01

    This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

  20. Semantically Enhanced Recommender Systems

    Science.gov (United States)

    Ruiz-Montiel, Manuela; Aldana-Montes, José F.

    Recommender Systems have become a significant area in the context of web personalization, given the large amount of available data. Ontologies can be widely taken advantage of in recommender systems, since they provide a means of classifying and discovering of new information about the items to recommend, about user profiles and even about their context. We have developed a semantically enhanced recommender system based on this kind of ontologies. In this paper we present a description of the proposed system.

  1. Progress report 1987-1988. Reactor Chemistry Department

    International Nuclear Information System (INIS)

    1988-01-01

    Review of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission of Argentina during 1987-1988. This department provides services and assistance in all matters related to water chemistry and nuclear reactors chemistry, in all their phases: design, construction, commissioning and decommissioning. The appendix includes information on the Reactor Chemistry Department staff, its publications, services, seminars, courses and conferences performed during 1987-1988. (Author) [es

  2. Clinical practice recommendations for depression.

    Science.gov (United States)

    Malhi, G S; Adams, D; Porter, R; Wignall, A; Lampe, L; O'Connor, N; Paton, M; Newton, L A; Walter, G; Taylor, A; Berk, M; Mulder, R T

    2009-01-01

    To provide clinically relevant evidence-based recommendations for the management of depression in adults that are informative, easy to assimilate and facilitate clinical decision making. A comprehensive literature review of over 500 articles was undertaken using electronic database search engines (e.g. MEDLINE, PsychINFO and Cochrane reviews). In addition articles, book chapters and other literature known to the authors were reviewed. The findings were then formulated into a set of recommendations that were developed by a multidisciplinary team of clinicians who routinely deal with mood disorders. The recommendations then underwent consultative review by a broader advisory panel that included experts in the field, clinical staff and patient representatives. The clinical practice recommendations for depression (Depression CPR) summarize evidence-based treatments and provide a synopsis of recommendations relating to each phase of the illness. They are designed for clinical use and have therefore been presented succinctly in an innovative and engaging manner that is clear and informative. These up-to-date recommendations provide an evidence-based framework that incorporates clinical wisdom and consideration of individual factors in the management of depression. Further, the novel style and practical approach should promote uptake and implementation.

  3. Analytical chemistry instrumentation

    International Nuclear Information System (INIS)

    Laing, W.R.

    1986-01-01

    In nine sections, 48 chapters cover 1) analytical chemistry and the environment 2) environmental radiochemistry 3) automated instrumentation 4) advances in analytical mass spectrometry 5) fourier transform spectroscopy 6) analytical chemistry of plutonium 7) nuclear analytical chemistry 8) chemometrics and 9) nuclear fuel technology

  4. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, V.

    1982-01-01

    The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

  5. Exposure to power-frequency magnetic fields and the risk of infertility and adverse pregnancy outcomes: update on the human evidence and recommendations for future study designs

    Science.gov (United States)

    Lewis, Ryan C.; Hauser, Russ; Maynard, Andrew D.; Neitzel, Richard L.; Wang, Lu; Kavet, Robert; Meeker, John D.

    2016-01-01

    Infertility and adverse pregnancy outcomes are significant public health concerns with global prevalence. Over the past 35 years, research has addressed whether exposure to power-frequency magnetic fields is one of the etiologic factors attributed to these conditions. However, no apparent authoritative reviews on this topic have been published in the peer-reviewed literature for nearly 15 years. This review provides an overview and critical analysis of human studies that were published in the peer-reviewed literature between 2002 and July 2015. Using PubMed, 13 epidemiology studies published during this timeframe that concern exposure to magnetic fields and adverse prenatal (e.g., miscarriage), neonatal (e.g., preterm birth or birth defects), and male fertility (e.g., poor semen quality) outcomes were identified. Some of these studies reported associations whereas others did not, and study design limitations may explain these inconsistencies. Future investigations need to be designed with these limitations in mind to address existing research gaps. In particular, the following issues are discussed: 1) importance of selecting the appropriate study population, 2) need for addressing confounding due to unmeasured physical activity, 3) importance of minimizing information bias from exposure measurement error, 4) consideration of alternative magnetic field exposure metrics, and 5) implications and applications of personal exposure data that is correlated within female-male couples. Further epidemiologic research is needed given the near ubiquitous exposures to power-frequency magnetic fields in the general population. PMID:27030583

  6. Cycloadditions in modern polymer chemistry.

    Science.gov (United States)

    Delaittre, Guillaume; Guimard, Nathalie K; Barner-Kowollik, Christopher

    2015-05-19

    Synthetic polymer chemistry has undergone two major developments in the last two decades. About 20 years ago, reversible-deactivation radical polymerization processes started to give access to a wide range of polymeric architectures made from an almost infinite reservoir of functional building blocks. A few years later, the concept of click chemistry revolutionized the way polymer chemists approached synthetic routes. Among the few reactions that could qualify as click, the copper-catalyzed azide-alkyne cycloaddition (CuAAC) initially stood out. Soon, many old and new reactions, including cycloadditions, would further enrich the synthetic macromolecular chemistry toolbox. Whether click or not, cycloadditions are in any case powerful tools for designing polymeric materials in a modular fashion, with a high level of functionality and, sometimes, responsiveness. Here, we wish to describe cycloaddition methodologies that have been reported in the last 10 years in the context of macromolecular engineering, with a focus on those developed in our laboratories. The overarching structure of this Account is based on the three most commonly encountered cycloaddition subclasses in organic and macromolecular chemistry: 1,3-dipolar cycloadditions, (hetero-)Diels-Alder cycloadditions ((H)DAC), and [2+2] cycloadditions. Our goal is to briefly describe the relevant reaction conditions, the advantages and disadvantages, and the realized polymer applications. Furthermore, the orthogonality of most of these reactions is highlighted because it has proven highly beneficial for generating unique, multifunctional polymers in a one-pot reaction. The overview on 1,3-dipolar cycloadditions is mostly centered on the application of CuAAC as the most travelled route, by far. Besides illustrating the capacity of CuAAC to generate complex polymeric architectures, alternative 1,3-dipolar cycloadditions operating without the need for a catalyst are described. In the area of (H)DA cycloadditions

  7. American Association for Clinical Chemistry

    Science.gov (United States)

    ... Find the answer to your question IN CLINICAL CHEMISTRY Hs-cTnI as a Gatekeeper for Further Cardiac ... Online Harmonization.net Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...

  8. Trust for intelligent recommendation

    CERN Document Server

    Bhuiyan, Touhid

    2013-01-01

    Recommender systems are one of the recent inventions to deal with the ever-growing information overload in relation to the selection of goods and services in a global economy. Collaborative Filtering (CF) is one of the most popular techniques in recommender systems. The CF recommends items to a target user based on the preferences of a set of similar users known as the neighbors, generated from a database made up of the preferences of past users. In the absence of these ratings, trust between the users could be used to choose the neighbor for recommendation making. Better recommendations can b

  9. Nuclear chemistry progress report

    International Nuclear Information System (INIS)

    Viola, V.E.; Kwiatkowski, K.

    1991-08-01

    During the past year the Nuclear Chemistry Group at Indiana University has concentrated its efforts on (1) the analysis and publication of previous experimental studies and (2) the design and construction of ISiS, a 4π detector for multifragment emission studies. No new experiments were undertaken, rather all of our experimental effort has been directed toward component tests of ISiS, with a goal of beginning measurements with this device in 1992. Research projects that have been largely completed during the last year include: (1) multiple fragment emission studies of the 0.90 and 3.6 GeV 3 He + nat Ag reaction; (2) intermediate-mass-fragment (IMF: 3 ≤ Z ≤ 15) excitation function measurements for the E/A = 20-to-100 MeV 14 N + nat Ag and 197 Au reactions, and (3) particle-particle correlation studies for the determination of space-time relationships energy collisions

  10. Comparing Recent Organizing Templates for Test Content between ACS Exams in General Chemistry and AP Chemistry

    Science.gov (United States)

    Holme, Thomas

    2014-01-01

    Two different versions of "big ideas" rooted content maps have recently been published for general chemistry. As embodied in the content outline from the College Board, one of these maps is designed to guide curriculum development and testing for advanced placement (AP) chemistry. The Anchoring Concepts Content Map for general chemistry…

  11. Using Computational Chemistry Activities to Promote Learning and Retention in a Secondary School General Chemistry Setting

    Science.gov (United States)

    Ochterski, Joseph W.

    2014-01-01

    This article describes the results of using state-of-the-art, research-quality software as a learning tool in a general chemistry secondary school classroom setting. I present three activities designed to introduce fundamental chemical concepts regarding molecular shape and atomic orbitals to students with little background in chemistry, such as…

  12. Prospective Chemistry and Science Teachers' Views and Metaphors about Chemistry and Chemical Studies

    Science.gov (United States)

    Onen Ozturk, Fatma; Aglarci, Oya

    2017-01-01

    Purpose: The aim of this study was to examine the metaphors created by prospective chemistry and science teachers and their views about how the studies in the field of chemistry are carried out in relation to the grade level and department. Research Methods: Case study as a qualitative research design was used. Participants in the study included…

  13. TOURISM RECOMMENDATION SYSTEM: EMPIRICAL INVESTIGATION

    Directory of Open Access Journals (Sweden)

    Biljana PETREVSKA

    2012-12-01

    Full Text Available The paper makes an attempt to justify the necessity of implementing recommendation system which will assist tourists in identification of their ideal holiday. The proposed recommendation system based on collaborative filtering notes positive impulses in the case of Macedonia. A software module is developed being capable to generate a personalized list of favorable and tailor-made items. The research outcomes indicate that the designed national tourism web portal can provide satisfactory performance and may be of high importance to all key-tourism actors in the process of identifying measures necessary for creating competitive tourism product.

  14. Surface chemistry essentials

    CERN Document Server

    Birdi, K S

    2013-01-01

    Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

  15. Fundamentals of reactor chemistry

    International Nuclear Information System (INIS)

    Akatsu, Eiko

    1981-12-01

    In the Nuclear Engineering School of JAERI, many courses are presented for the people working in and around the nuclear reactors. The curricula of the courses contain also the subject material of chemistry. With reference to the foreign curricula, a plan of educational subject material of chemistry in the Nuclear Engineering School of JAERI was considered, and the fundamental part of reactor chemistry was reviewed in this report. Since the students of the Nuclear Engineering School are not chemists, the knowledge necessary in and around the nuclear reactors was emphasized in order to familiarize the students with the reactor chemistry. The teaching experience of the fundamentals of reactor chemistry is also given. (author)

  16. Recommendation for the design of warehousing installations complementary with storage. Document handed to the Ministry of Ecology, Sustainable Development and Energy within the frame of the National Plan of Management of Radioactive Materials and Wastes 2013-2015

    International Nuclear Information System (INIS)

    2015-01-01

    This report first recalls the guidelines defined by the law of June 2006 related to the sustainable management of radioactive materials and wastes, outlines the complementarity between reversible storage and warehousing, proposes an assessment of studies and researches performed on warehousing, and gives recommendations for the design of warehousing installations complementary with storage. In a second part, the report describes the arrangements in favour of durability of warehousing installations (structure in reinforced concrete, metallic components, and materials used for waste packaging). The control is addressed in the next part: control of waste packages, knowledge acquisition during the warehousing phase, and control of the components of the warehousing installation. The last part addresses the design of warehousing in relationship with storage reversibility, notably for the warehousing of high-level parcels removed from storage (different modes of warehousing are presented) and for the warehousing of intermediate-level-long-lived parcels removed from storage (presentation of the warehousing mode)

  17. The relationship between teacher-related factors and students' attitudes towards secondary school chemistry subject in Bureti district, Kenya

    Directory of Open Access Journals (Sweden)

    Salome Chepkorir

    2014-12-01

    Full Text Available This paper examines the relationship between teacher-related factors and student’s attitudes towards Chemistry subject in secondary schools in Kenya. The paper is based on a study conducted in Bureti District in Kericho County, Kenya. This paper highlights issues on the teaching methods used by chemistry teachers, the teachers’ availability to attend to various needs of students on the subject, their use of teaching and learning resources in teaching, teachers’ personal levels of skills and knowledge of the subject matter in Chemistry and the impact of students’ negative attitudes towards Chemistry on teachers’ effectiveness. The research design used in the study was descriptive survey. The target population comprised Form Four students in ten selected secondary schools in Bureti District of Rift Valley Province Kenya. Stratified random sampling technique was used to select the study sample. Schools were selected from the following categories: Girls’ schools, Boys’ schools and Co-educational schools. Simple random sampling was used to select the respondents from Form Four classes as well as a teacher in each school. In all, one hundred and eighty-nine students and ten teachers filled the questionnaires. The data collection instruments were questionnaires based on the Likert scale and document analysis. Data was analyzed descriptively using frequency tables, means and percentages while hypotheses were tested using Analysis of Variance. From the study findings, a number of indicators revealed that there are some factors influencing students’ attitudes towards Chemistry, including lack of successful experiences in Chemistry, poor teaching. It was recommended that science teachers’ should encourage development of positive self-concept of ability among students. Among other recommendations, the study suggests that guidance and counselling of students in schools should be encouraged, to ensure positive attitudes towards and full

  18. Annual report 1985 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1986-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  19. Annual report 1984 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1985-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry , environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  20. Designing exercise clinical trials for older adults with cancer: Recommendations from 2015 Cancer and Aging Research Group NCI U13 Meeting

    Science.gov (United States)

    Kilari, Deepak; Soto-Perez-de-Celis, Enrique; Mohile, Supriya Gupta; Alibhai, Shabbir M.H.; Presley, Carolyn J.; Wildes, Tanya M.; Klepin, Heidi D.; Demark-Wahnefried, Wendy; Jatoi, Amina; Harrison, Robert; Won, Elizabeth; Mustian, Karen M.

    2016-01-01

    Cancer and its treatment can lead to a myriad of adverse events and negatively impact quality of life of older cancer patients and survivors. Unmet physical activity needs vary across the cancer continuum and remain an important yet understudied area of research in this population. Exercise interventions have been shown to be effective in treating both the physical and psychological declines associated with cancer and its treatment, with a potential to improve cancer-related outcomes. Despite the current evidence, exercise is clearly underutilized due to several barriers and knowledge gaps in existing trials that include appropriate population identification, design, and outcome measures selection. The benefits of regular exercise in both the primary and secondary prevention of chronic conditions are well established in the non-cancer population. In older cancer patients and survivors, further research is needed before exercise gains widespread acceptance. The Cancer and Aging Research Group convened experts in exercise, aging and cancer to evaluate current scientific evidence and knowledge gaps in geriatric exercise oncology. This report summarizes these findings and provides future research directions. PMID:27197916

  1. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Matel, L.; Dulanska, S.

    2013-01-01

    This text-book is an introductory text in nuclear chemistry and radiochemistry, aimed on university undergraduate students in chemistry and related disciplines (physics, nuclear engineering). It covers the key aspects of modern nuclear chemistry. The text begins with basic theories in contemporary physics. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to sources of ionizing radiation, detection of ionizing radiation, nuclear power industry and accident on nuclear installations as well as basic knowledge's of radiobiology. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.

  2. Nuclear chemistry in the traditional chemistry program

    International Nuclear Information System (INIS)

    Kleppinger, E.W.

    1993-01-01

    The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

  3. Mars aqueous chemistry experiment

    Science.gov (United States)

    Clark, Benton C.; Mason, Larry W.

    1994-06-01

    Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

  4. Mars aqueous chemistry experiment

    Science.gov (United States)

    Clark, Benton C.; Mason, Larry W.

    1994-01-01

    Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

  5. Chemical data for the calculation of fission product releases in design basis faults in PWRs

    International Nuclear Information System (INIS)

    Ali, S.M.; Bawden, R.J.; Garbett, K.; Deane, A.M.; Large, N.R.

    1982-04-01

    This review considers the chemistry of caesium and iodine and their volatility under the conditions which would exist during a number of design-basis faults. It recommends values which should be used for the distribution of these elements between liquid and gas phases. (author)

  6. Reactor water chemistry control

    International Nuclear Information System (INIS)

    Kundu, A.K.

    2010-01-01

    Tarapur Atomic Power Station - 1 and 2 (TAPS) is a twin unit Boiling Water Reactors (BWRs) built in 1960's and operating presently at 160MWe. TAPS -1 and 2 are one of the vintage reactors operating in the world and belongs to earlier generation of BWRs has completed 40 years of successful, commercial and safe operation. In 1980s, both the reactors were de-rated from 660MWth to 530MWth due to leaks in the Secondary Steam Generators (SSGs). In BWR the feed water acts as the primary coolant which dissipates the fission heat and thermalises the fast neutrons generated in the core due to nuclear fission reaction and under goes boiling in the Reactor Pressure Vessel (RPV) to produce steam. Under the high reactor temperature and pressure, RPV and the primary system materials are highly susceptible to corrosion. In order to avoid local concentration of the chemicals in the RPV of BWR, chemical additives are not recommended for corrosion prevention of the system materials. So to prevent corrosion of the RPV and the primary system materials, corrosion resistant materials like stainless steel (of grade SS304, SS304L and SS316LN) is used as the structural material for most of the primary system components. In case of feed water system, main pipe lines are of carbon steel and the heater shell materials are of carbon steel lined with SS whereas the feed water heater tubes are of SS-304. In addition to the choice of materials, another equally important factor for corrosion prevention and corrosion mitigation of the system materials is maintaining highly pure water quality and strict water chemistry regime for both the feed water and the primary coolant, during operation and shutdown of the reactor. This also helps in controlled migration of corrosion product to and from the reactor core and to reduce radiation field build up across the primary system materials. Experience in this field over four decades added to the incorporation of modern techniques in detection of low

  7. Handbook of computational quantum chemistry

    CERN Document Server

    Cook, David B

    2005-01-01

    Quantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations.Wri

  8. Efficient click chemistry towards fatty acids containing 1,2,3-triazole: Design and synthesis as potential antifungal drugs for Candida albicans.

    Science.gov (United States)

    Fu, Nina; Wang, Suiliang; Zhang, Yuqian; Zhang, Caixia; Yang, Dongliang; Weng, Lixing; Zhao, Baomin; Wang, Lianhui

    2017-08-18

    Candida is an important opportunistic human fungal pathogen. The cis-2-dodecenoic acid (BDSF) showing in vitro activity of against C. albicans growth, germ-tube germination and biofilm formation has been a potential inhibitor for Candida and other fungi. In this study, facile synthetic strategies toward a novel family of BDSF analogue, 1-alkyl-1H-1,2,3-triazole-4-carboxylic acids (ATCs) was developed. The straightforward synthetic method including converting the commercial available alkyl bromide to alkyl azide, consequently with a typical click chemistry method, copper(II) sulfate and sodium ascorbate as catalyst in water to furnish ATCs with mild to good yields. According to antifungal assay, 1-decyl-4,5-dihydro-1H-1,2,3-triazole-4-carboxylic acid (5d) showed antifungal capability slightly better than BDSF. The 1,2,3-triazole unit played a crucial role for the bioactivity of ATCs was also confirmed when compared with two alkyl-aromatic carboxylic acids. Given its simplicity, high antifungal activity, and wide availability of compounds with halide atoms on the end part of the alkyl chains, the method can be extended to develop more excellent ATC drugs for accomplishing the challenges in future antifungal applications. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  9. Chemistry in Titan

    Science.gov (United States)

    Plessis, S.; Carrasco, N.; Pernot, P.

    2009-04-01

    Modelling the chemical composition of Titan's ionosphere is a very challenging issue. Latest works perform either inversion of CASSINI's INMS mass spectra (neutral[1] or ion[2]), or design coupled ion-neutral chemistry models[3]. Coupling ionic and neutral chemistry has been reported to be an essential feature of accurate modelling[3]. Electron Dissociative Recombination (EDR), where free electrons recombine with positive ions to produce neutral species, is a key component of ion-neutral coupling. There is a major difficulty in EDR modelling: for heavy ions, the distribution of neutral products is incompletely characterized by experiments. For instance, for some hydrocarbon ions only the carbon repartition is measured, leaving the hydrogen repartition and thus the exact neutral species identity unknown[4]. This precludes reliable deterministic modelling of this process and of ion-neutral coupling. We propose a novel stochastic description of the EDR chemical reactions which enables efficient representation and simulation of the partial experimental knowledge. The description of products distribution in multi-pathways reactions is based on branching ratios, which should sum to unity. The keystone of our approach is the design of a probability density function accounting for all available informations and physical constrains. This is done by Dirichlet modelling which enables one to sample random variables whose sum is constant[5]. The specifics of EDR partial uncertainty call for a hierarchiral Dirichlet representation, which generalizes our previous work[5]. We present results on the importance of ion-neutral coupling based on our stochastic model. C repartition H repartition (measured) (unknown ) → C4H2 + 3H2 + H .. -→ C4 . → C4H2 + 7H → C3H8. + CH C4H+9 + e- -→ C3 + C .. → C3H3 + CH2 + 2H2 → C2H6 + C2H2 + H .. -→ C2 + C2 . → 2C2H2 + 2H2 + H (1) References [1] J. Cui, R.V. Yelle, V. Vuitton, J.H. Waite Jr., W.T. Kasprzak

  10. BWR normal water chemistry guidelines: 1986 revision

    International Nuclear Information System (INIS)

    1988-09-01

    Boiling water reactors (BWRs) have experienced stress corrosion cracking in the reactor cooling system piping resulting in adverse impacts on plant availability and personnel radiation exposure. The BWR Owners Group and EPRI have sponsored a major research and development program to provide remedies for this stress corrosion cracking problem. This work shows that the likelihood of cracking depends on the plant's water chemistry performance (environment) as well as on material condition and stress level. Plant experience and other research demonstrate that water quality also affects fuel performance and radiation field buildup in BWRs. This report,''BWR Normal Water Chemistry Guidelines: 1986 Revision,'' presents suggested generic water chemistry specifications, justifies the proposed water chemistry limits, suggests responses to out-of-specification water chemistry, discusses available chemical analysis methods as well as data management and surveillance schemes, and details the management philosophy required to successfully implement a water chemistry control program. An appendix contains recommendations for water quality of auxiliary systems. 73 refs., 20 figs., 9 tabs

  11. Teaching Green and Sustainable Chemistry: A Revised One-Semester Course Based on Inspirations and Challenges

    Science.gov (United States)

    Marteel-Parrish, Anne E.

    2014-01-01

    An elective course, "Toward the Greening of Our Minds": Green and Sustainable Chemistry, has been offered at Washington College since 2005. This new course without laboratory is designed for chemistry and biology majors and minors who have previously taken two semesters of general chemistry and organic chemistry. Due to the popularity of…

  12. Maximizing the Adjacent Possible in Automata Chemistries.

    Science.gov (United States)

    Hickinbotham, Simon; Clark, Edward; Nellis, Adam; Stepney, Susan; Clarke, Tim; Young, Peter

    2016-01-01

    Automata chemistries are good vehicles for experimentation in open-ended evolution, but they are by necessity complex systems whose low-level properties require careful design. To aid the process of designing automata chemistries, we develop an abstract model that classifies the features of a chemistry from a physical (bottom up) perspective and from a biological (top down) perspective. There are two levels: things that can evolve, and things that cannot. We equate the evolving level with biology and the non-evolving level with physics. We design our initial organisms in the biology, so they can evolve. We design the physics to facilitate evolvable biologies. This architecture leads to a set of design principles that should be observed when creating an instantiation of the architecture. These principles are Everything Evolves, Everything's Soft, and Everything Dies. To evaluate these ideas, we present experiments in the recently developed Stringmol automata chemistry. We examine the properties of Stringmol with respect to the principles, and so demonstrate the usefulness of the principles in designing automata chemistries.

  13. Dexamethasone-(C21-phosphoramide-[anti-EGFR]: molecular design, synthetic organic chemistry reactions, and antineoplastic cytotoxic potency against pulmonary adenocarcinoma (A549

    Directory of Open Access Journals (Sweden)

    Coyne CP

    2016-08-01

    did not significantly modify the ex vivo antineoplastic cytotoxicity of dexamethasone against pulmonary adenocarcinoma at and between the standardized dexamethasone equivalent concentrations of 10-9 M and 10-5 M. Rapid increases in antineoplastic cytotoxicity were observed at and between the dexamethasone equivalent concentrations of 10-9 M and 10-7 M where cancer cell death increased from 7.7% to a maximum of 64.9% (92.3%–35.1% residual survival, respectively, which closely paralleled values for “free” noncovalently bound dexamethasone. Discussion: Organic chemistry reaction regimens were optimized to develop a multiphase synthesis regimen for dexamethasone-(C21-phosphoramide-[anti-EGFR]. Attributes of dexamethasone-(C21-phosphoramide-[anti-EGFR] include a high dexamethasone molar incorporation-index, lack of extraneous chemical group introduction, retained EGFR-binding avidity (“targeted” delivery properties, and potential to enhance long-term pharmaceutical moiety effectiveness. Keywords: dexamethasone, anti-EGFR, organic chemistry reactions, synthesis, selective “targeted” delivery, covalent immunopharmaceuticals, EGFR 

  14. Areva's water chemistry guidebook with chemistry guidelines for next generation plants (AREVA EPRTM reactors)

    International Nuclear Information System (INIS)

    Ryckelynck, N.; Chahma, F.; Caris, N.; Guillermier, P.; Brun, C.; Caron-Charles, M.; Lamanna, L.; Fandrich, J.; Jaeggy, M.; Stellwag, B.

    2012-09-01

    Over the years, AREVA globally has maintained a strong expertise in LWR water chemistry and has been focused on minimizing short-term and long-term detrimental effects of chemistry for startup, operation and shutdown chemistry for all key plant components (material integrity and reliability, promote optimal thermal performances, etc.) and fuel. Also AREVA is focused on minimizing contamination and equipment/plant dose rates. Current Industry Guidelines (EPRI, VGB, etc.) provide utilities with selected chemistry guidance for the current operating fleet. With the next generation of PWR plants (e.g. AREVA's EPR TM reactor), materials of construction and design have been optimized based on industry lessons learned over the last 50+ years. To support the next generation design, AREVA water chemistry experts, have subsequently developed a Chemistry Guidebook with chemistry guidelines based on an analysis of the current international practices, plant operating experience, R and D data and calculation codes now available and/or developed by AREVA. The AREVA LWR chemistry Guidebook can be used to help resolve utility and safety authority questions and addresses regulation requirement questions/issues for next generation plants. The Chemistry Guidebook provides water chemistry guidelines for primary coolant, secondary side circuit and auxiliary systems during startup, normal operation and shutdown conditions. It also includes conditioning and impurity limits, along with monitoring locations and frequency requirements. The Chemistry Guidebook Guidelines will be used as a design reference for AREVA's next generation plants (e.g. EPR TM reactor). (authors)

  15. Atmospheric chemistry and climate

    OpenAIRE

    Satheesh, SK

    2012-01-01

    Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

  16. Polymer chemistry (revised edition)

    International Nuclear Information System (INIS)

    Kim, Jae Mum

    1987-02-01

    This book deals with polymer chemistry, which is divided into fourteen chapters. The contents of this book are development of polymer chemistry, conception of polymer, measurement of polymer chemistry, conception of polymer, measurement of polymer, molecule structure of polymer, thermal prosperities of solid polymer, basic theory of polymerization, radical polymerization, ion polymerization, radical polymerization, copolymerization, polymerization by step-reaction, polymer reaction, crown polymer and inorganic polymer on classification and process of creation such as polymeric sulfur and carbon fiber.

  17. Chemistry of the elements

    International Nuclear Information System (INIS)

    Greenwood, N.N.; Earnshaw, A.

    1984-01-01

    This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

  18. From trace chemistry to single atom chemistry

    International Nuclear Information System (INIS)

    Adloff, J.P.

    1993-01-01

    Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

  19. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R

    2013-01-01

    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

  20. Canopy Chemistry (OTTER)

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: Canopy characteristics: leaf chemistry, specific leaf area, LAI, PAR, IPAR, NPP, standing biomass--see also: Meteorology (OTTER) for associated...

  1. USSR Report, Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    This USSR Report on Chemistry contains articles on Aerosols, Adsorption, Biochemistry, Catalysis, Chemical Industry, Coal Gasification, Electrochemistry, Explosives and Explosions, Fertilizers, Food...

  2. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D

    2012-01-01

    ... more. Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...

  3. Green Chemistry Pedagogy

    Science.gov (United States)

    Kolopajlo, Larry

    2017-02-01

    This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

  4. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  5. Dexamethasone-(C21-phosphoramide)-[anti-EGFR]: molecular design, synthetic organic chemistry reactions, and antineoplastic cytotoxic potency against pulmonary adenocarcinoma (A549).

    Science.gov (United States)

    Coyne, Cody P; Narayanan, Lakshmi

    2016-01-01

    antineoplastic cytotoxicity were observed at and between the dexamethasone equivalent concentrations of 10(-9) M and 10(-7) M where cancer cell death increased from 7.7% to a maximum of 64.9% (92.3%-35.1% residual survival), respectively, which closely paralleled values for "free" noncovalently bound dexamethasone. Organic chemistry reaction regimens were optimized to develop a multiphase synthesis regimen for dexamethasone-(C21-phosphoramide)-[anti-EGFR]. Attributes of dexamethasone-(C21-phosphoramide)-[anti-EGFR] include a high dexamethasone molar incorporation-index, lack of extraneous chemical group introduction, retained EGFR-binding avidity ("targeted" delivery properties), and potential to enhance long-term pharmaceutical moiety effectiveness.

  6. Recommended radiological controls for tritium operations

    International Nuclear Information System (INIS)

    Mansfield, G.

    1992-01-01

    This informal report presents recommendations for an adequate radiological protection program for tritium operations. Topics include hazards analysis, facility design, personnel protection equipment, training, operational procedures, radiation monitoring, to include surface and airborne tritium contamination, and program management

  7. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1990-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  8. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1989-05-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  9. Annual report 1986 chemistry department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1987-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

  10. Materials Chemistry of Nanoultrasonic Biomedicine.

    Science.gov (United States)

    Tang, Hailin; Zheng, Yuanyi; Chen, Yu

    2017-03-01

    As a special cross-disciplinary research frontier, nanoultrasonic biomedicine refers to the design and synthesis of nanomaterials to solve some critical issues of ultrasound (US)-based biomedicine. The concept of nanoultrasonic biomedicine can also overcome the drawbacks of traditional microbubbles and promote the generation of novel US-based contrast agents or synergistic agents for US theranostics. Here, we discuss the recent developments of material chemistry in advancing the nanoultrasonic biomedicine for diverse US-based bio-applications. We initially introduce the design principles of novel nanoplatforms for serving the nanoultrasonic biomedicine, from the viewpoint of synthetic material chemistry. Based on these principles and diverse US-based bio-application backgrounds, the representative proof-of-concept paradigms on this topic are clarified in detail, including nanodroplet vaporization for intelligent/responsive US imaging, multifunctional nano-contrast agents for US-based multi-modality imaging, activatable synergistic agents for US-based therapy, US-triggered on-demand drug releasing, US-enhanced gene transfection, US-based synergistic therapy on combating the cancer and potential toxicity issue of screening various nanosystems suitable for nanoultrasonic biomedicine. It is highly expected that this novel nanoultrasonic biomedicine and corresponding high performance in US imaging and therapy can significantly promote the generation of new sub-discipline of US-based biomedicine by rationally integrating material chemistry and theranostic nanomedicine with clinical US-based biomedicine. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. 1990 recommendations of ICRP

    International Nuclear Information System (INIS)

    Clarke, R.H.

    1991-01-01

    The Main Commission of ICRP finalised its new recommendations during its November 1990 meeting. The recommendations will appear in the Annals of the ICRP in 1991 as Publication 60. This paper represents a personal summary of these recommendations. It covers the basic biological risk estimates and the conceptual framework of the system of radiological protection, the definition of radiation detriment and its use both in the definition of radiation quantities and in the establishment of the dose limits adopted by the Main Commissions. (author)

  12. Titanocene sulfide chemistry

    Czech Academy of Sciences Publication Activity Database

    Horáček, Michal

    2016-01-01

    Roč. 314, MAY 2016 (2016), s. 83-102 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GAP207/12/2368 Institutional support: RVO:61388955 Keywords : titanocene sulfide chemistry * photolysis * titanocene hydrosulfides Ti-(SH)n Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.324, year: 2016

  13. A green chemistry approach

    Indian Academy of Sciences (India)

    Administrator

    One-pot synthesis of quinaldine derivatives by using microwave irradiation without any solvent – A green chemistry approach. JAVAD SAFARI*, SAYED HOSSEIN BANITABA and SEPEHR SADEGH SAMIEI. Department of Chemistry, The Faculty of sciences, University of Kashan, Kashan,. P.O. Box 87317-51167, I.R. Iran.

  14. Chemistry in Microfluidic Channels

    Science.gov (United States)

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.

    2011-01-01

    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  15. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.

    1976-01-01

    Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

  16. Movies in Chemistry Education

    Science.gov (United States)

    Pekdag, Bulent; Le Marechal, Jean-Francois

    2010-01-01

    This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

  17. WATER CHEMISTRY ASSESSMENT METHODS

    Science.gov (United States)

    This section summarizes and evaluates the surfce water column chemistry assessment methods for USEPA/EMAP-SW, USGS-NAQA, USEPA-RBP, Oho EPA, and MDNR-MBSS. The basic objective of surface water column chemistry assessment is to characterize surface water quality by measuring a sui...

  18. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  19. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

    A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

  20. Chemistry and Biology

    Science.gov (United States)

    Wigston, David L.

    1970-01-01

    Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

  1. Transuranic Computational Chemistry.

    Science.gov (United States)

    Kaltsoyannis, Nikolas

    2018-02-26

    Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Probabilistic approaches to recommendations

    CERN Document Server

    Barbieri, Nicola; Ritacco, Ettore

    2014-01-01

    The importance of accurate recommender systems has been widely recognized by academia and industry, and recommendation is rapidly becoming one of the most successful applications of data mining and machine learning. Understanding and predicting the choices and preferences of users is a challenging task: real-world scenarios involve users behaving in complex situations, where prior beliefs, specific tendencies, and reciprocal influences jointly contribute to determining the preferences of users toward huge amounts of information, services, and products. Probabilistic modeling represents a robus

  3. Design

    DEFF Research Database (Denmark)

    Volf, Mette

    This publication is unique in its demystification and operationalization of the complex and elusive nature of the design process. The publication portrays the designer’s daily work and the creative process, which the designer is a part of. Apart from displaying the designer’s work methods...... and design parameters, the publication shows examples from renowned Danish design firms. Through these examples the reader gets an insight into the designer’s reality....

  4. Fusing Recommendations for Social Bookmarking Websites

    DEFF Research Database (Denmark)

    Bogers, Toine; van den Bosch, Antal

    2011-01-01

    Social bookmarking websites are rapidly growing in popularity. Recommender systems, a promising remedy to the information overload accompanying the explosive growth in content, are designed to identify which unseen content might be of interest to a particular user, based on his or her past...... that use tag overlap and metadata provide better results for social bookmarking data sets than the transaction patterns that are used traditionally in recommender systems research. In addition, we investigate how to fuse different recommendation approaches to further improve recommendation accuracy. We...... preferences. Most previous work in recommendation for social bookmarking suffers from a lack of comparisons between the different available approaches. In this article, we address this issue by comparing and evaluating eight recommendation approaches on four data sets from two domains. We find that approaches...

  5. An Atmospheric General Circulation Model with Chemistry for the CRAY T3E: Design, Performance Optimization and Coupling to an Ocean Model

    Science.gov (United States)

    Farrara, John D.; Drummond, Leroy A.; Mechoso, Carlos R.; Spahr, Joseph A.

    1998-01-01

    The design, implementation and performance optimization on the CRAY T3E of an atmospheric general circulation model (AGCM) which includes the transport of, and chemical reactions among, an arbitrary number of constituents is reviewed. The parallel implementation is based on a two-dimensional (longitude and latitude) data domain decomposition. Initial optimization efforts centered on minimizing the impact of substantial static and weakly-dynamic load imbalances among processors through load redistribution schemes. Recent optimization efforts have centered on single-node optimization. Strategies employed include loop unrolling, both manually and through the compiler, the use of an optimized assembler-code library for special function calls, and restructuring of parts of the code to improve data locality. Data exchanges and synchronizations involved in coupling different data-distributed models can account for a significant fraction of the running time. Therefore, the required scattering and gathering of data must be optimized. In systems such as the T3E, there is much more aggregate bandwidth in the total system than in any particular processor. This suggests a distributed design. The design and implementation of a such distributed 'Data Broker' as a means to efficiently couple the components of our climate system model is described.

  6. Verbal and numerical consumer recommendations: switching between recommendation formats leads to preference inconsistencies.

    Science.gov (United States)

    Maciejovsky, Boris; Budescu, David V

    2013-06-01

    Many Web sites provide consumers with product recommendations, which are typically presented by a sequence of verbal reviews and numerical ratings. In three experiments, we demonstrate that when participants switch between formats (e.g., from verbal to numerical), they are more prone to preference inconsistencies than when they aggregate the recommendations within the same format (e.g., verbal). When evaluating recommendations, participants rely primarily on central-location measures (e.g., mean) and less on other distribution characteristics (e.g., variance). We explain our findings within the theoretical framework of stimulus-response compatibility and we make practical recommendations for the design of recommendation systems and Web portals.

  7. Third Chemistry Conference on Recent Trends in Chemistry

    International Nuclear Information System (INIS)

    Saeed, M.M.; Wheed, S.

    2011-01-01

    The third chemistry conference 2011 on recent trends in chemistry was held from October 17-19, 2001 at Islamabad, Pakistan. More than 65 papers and oral presentation. The scope of the conference was wide open and provides and opportunity for participation of broad spectrum of chemists. This forum provided a platform for the dissemination of the latest research followed by discussion pertaining to new trends in chemistry. This con fence covered different aspects of subjects including analytical chemistry, environmental chemistry, polymer chemistry, industrial chemistry, biochemistry and nano chemistry etc. (A.B.)

  8. Korean Kimchi Chemistry: A Multicultural Chemistry Connection

    Science.gov (United States)

    Murfin, Brian

    2009-01-01

    Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

  9. Chemistry and Nanoscience Research | NREL

    Science.gov (United States)

    Chemistry and Nanoscience Center at NREL investigates materials and processes for converting renewable and new technologies. NREL's primary research in the chemistry and nanoscience center includes the Electrochemical Engineering and Materials Chemistry Providing a knowledge base in materials science covering

  10. System approach to chemistry course

    OpenAIRE

    Lorina E. Kruglova; Valentina G. Derendyaeva

    2010-01-01

    The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

  11. CAREM-25: considerations about primary coolant chemistry

    International Nuclear Information System (INIS)

    Chocron, Mauricio; Iglesias, Alberto M.; Raffo Calderon, Maria C.; Villegas, Marina

    2000-01-01

    World operating experience, in conjunction with basic studies has been modifying chemistry specifications for the primary coolant of water cooled nuclear reactors along with the reactor type and structural materials involved in the design. For the reactor CAREM-25, the following sources of information have been used: 1) Experience gained by the Chemistry Department of the National Atomic Energy Commission (CNEA, Argentina); 2) Participation of the Chemistry Department (CNEA) in international cooperation projects; 3) Guidelines given by EPRI, Siemens-KWU, AECL, etc. Given the main objectives: materials integrity, low radiation levels and personnel safety, which are in turn a balance between the lowest corrosion and activity transport achievable and considering that the CAREM-25 is a pressurized vessel integrated reactor, a group of guidelines for the chemistry and additives for the primary coolant have been given in the present work. (author)

  12. Computational chemistry research

    Science.gov (United States)

    Levin, Eugene

    1987-01-01

    Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.

  13. Annual report 1987 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1988-04-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

  14. Annual report 1982 chemistry department

    International Nuclear Information System (INIS)

    Larsen, E.; Nielsen, O.J.

    1983-04-01

    The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

  15. Recommended vapor pressures for thiophene, sulfolane, and dimethyl sulfoxide

    Czech Academy of Sciences Publication Activity Database

    Fulem, Michal; Růžička, K.; Růžička, M.

    2011-01-01

    Roč. 303, č. 2 (2011), s. 205-216 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z10100521 Keywords : thiophene sulfolane * dimethyl sulfoxide * vapor pressure * heat capacity * vaporization enthalpy * recommended vapor pressure equation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

  16. A Hybrid Recommender System Based on User-Recommender Interaction

    OpenAIRE

    Zhang, Heng-Ru; Min, Fan; He, Xu; Xu, Yuan-Yuan

    2015-01-01

    Recommender systems are used to make recommendations about products, information, or services for users. Most existing recommender systems implicitly assume one particular type of user behavior. However, they seldom consider user-recommender interactive scenarios in real-world environments. In this paper, we propose a hybrid recommender system based on user-recommender interaction and evaluate its performance with recall and diversity metrics. First, we define the user-recommender interaction...

  17. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

  18. Chemistry of Technetium

    International Nuclear Information System (INIS)

    Omori, Takashi

    2001-01-01

    Since the late 1970's the coordination chemistry of technetium has been developed remarkably. The background of the development is obviously related to the use of technetium radiopharmaceuticals for diagnosis in nuclear medicine. Much attention has also been denoted to the chemical behavior of environmental 99 Tc released from reprocessing plants. This review covers the several aspects of technetium chemistry, including production of radioisotopes, analytical chemistry and coordination chemistry. In the analytical chemistry, separation of technetium, emphasizing chromatography and solvent extraction, is described together with spectrophotometric determination of technetium. In the coordination chemistry of technetium, a characteristic feature of the chemistry of Tc(V) complexes is referred from the view point of the formation of a wide variety of highly stable complexes containing the Tc=O or Tc≡N bond. Kinetic studies of the preparation of Tc(III) complexes using hexakis (thiourea) technetium(III) ion as a starting material are summarized, together with the base hydrolysis reactions of Tc(III), Tc(IV) and Tc(V) complexes. (author)

  19. Chemistry in water reactors

    International Nuclear Information System (INIS)

    Hermansson, H.P.; Norring, K.

    1994-01-01

    The international conference Chemistry in Water Reactors was arranged in Nice 24-27/04/1994 by the French Nuclear Energy Society. Examples of technical program areas were primary chemistry, operational experience, fundamental studies and new technology. Furthermore there were sessions about radiation field build-up, hydrogen chemistry, electro-chemistry, condensate polishing, decontamination and chemical cleaning. The conference gave the impression that there are some areas that are going to be more important than others during the next few years to come. Cladding integrity: Professor Ishigure from Japan emphasized that cladding integrity is a subject of great concern, especially with respect to waterside corrosion, deposition and release of crud. Chemistry control: The control of the iron/nickel concentration quotient seems to be not as important as previously considered. The future operation of a nuclear power plant is going to require a better control of the water chemistry than achievable today. One example of this is solubility control via regulation in BWR. Trends in USA: means an increasing use of hydrogen, minimization of SCC/IASCC, minimization of radiation fields by thorough chemistry control, guarding fuel integrity by minimization of cladding corrosion and minimization of flow assisted corrosion. Stellite replacement: The search for replacement materials will continue. Secondary side crevice chemistry: Modeling and practical studies are required to increase knowledge about the crevice chemistry and how it develops under plant operation conditions. Inhibitors: Inhibitors for IGSCC and IGA as well for the primary- (zinc) as for the secondary side (Ti) should be studied. The effects and mode of operation of the inhibitors should be documented. Chemical cleaning: of heat transfer surfaces will be an important subject. Prophylactic cleaning at regular intervals could be one mode of operation

  20. Recommended Format for the Periodic Table of the Elements.

    Science.gov (United States)

    Loening, K. L.

    1984-01-01

    Presents a new, recommended format for the periodic table which does not use the letters A and B to designate subgroups of elements. Also describes events leading to the adoption of this recommendation. (JM)

  1. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G

    2013-01-01

    Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit

  2. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  3. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold

    2009-01-01

    Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

  4. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R

    1968-01-01

    Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest

  5. Computational quantum chemistry website

    International Nuclear Information System (INIS)

    1997-01-01

    This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

  6. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold

    2009-01-01

    made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction......Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...

  7. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    The Chemistry Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. The handbook includes information on the atomic structure of matter; chemical bonding; chemical equations; chemical interactions involved with corrosion processes; water chemistry control, including the principles of water treatment; the hazards of chemicals and gases, and basic gaseous diffusion processes. This information will provide personnel with a foundation for understanding the chemical properties of materials and the way these properties can impose limitations on the operation of equipment and systems

  8. Analytical chemistry: Principles and techniques

    International Nuclear Information System (INIS)

    Hargis, L.G.

    1988-01-01

    Although this text seems to have been intended for use in a one-semester course in undergraduate analytical chemistry, it includes the range of topics usually encountered in a two-semester introductory course in chemical analysis. The material is arranged logically for use in a two-semester course: the first 12 chapters contain the subjects most often covered in the first term, and the next 10 chapters pertain to the second (instrumental) term. Overall breadth and level of treatment are standards for an undergraduate text of this sort, and the only major omission is that of kinetic methods (which is a common omission in analytical texts). In the first 12 chapters coverage of the basic material is quite good. The emphasis on the underlying principles of the techniques rather than on specifics and design of instrumentation is welcomed. This text may be more useful for the instrumental portion of an analytical chemistry course than for the solution chemistry segment. The instrumental analysis portion is appropriate for an introductory textbook

  9. Green chemistry; La chimie verte

    Energy Technology Data Exchange (ETDEWEB)

    Colonna, P. [Institut National de la Recherche Agronomique, Dept. Caracterisation et Elaboration des Produits, 78 - Versailles (France)

    2006-07-01

    The depletion of world fossil fuel reserves and the involvement of greenhouse gases in the global warming has led to change the industrial and energy policies of most developed countries. The goal is now to reserve petroleum to the uses where it cannot be substituted, to implement renewable raw materials obtained from plants cultivation, and to consider the biodegradability of molecules and of manufactured objects by integrating the lifetime concept in their expected cycle of use. The green chemistry includes the design, development and elaboration of chemical products and processes with the aim of reducing or eliminating the use and generation of harmful compounds for the health and the environment, by adapting the present day operation modes of the chemical industry to the larger framework of the sustainable development. In addition to biofuels, this book reviews the applications of green chemistry in the different industrial processes in concern. Part 1 presents the diversity of the molecules coming from renewable carbon, in particular lignocellulose and the biotechnological processes. Part 2 is devoted to materials and treats of the overall available technological solutions. Part 3 focusses on functional molecules and chemical intermediates, in particular in sugar- and fats-chemistry. Part 4 treats of biofuels under the aspects of their production and use in today's technologies. The last part deals with the global approaches at the environmental and agricultural levels. (J.S.)

  10. The Separate and Collective Effects of Personalization, Personification, and Gender on Learning with Multimedia Chemistry Instructional Materials

    Science.gov (United States)

    Halkyard, Shannon

    2012-01-01

    Chemistry is a difficult subject to learn and teach for students in general. Additionally, female students are under-represented in chemistry and the physical sciences. Within chemistry, atomic and electronic structure is a key concept and several recommendations in the literature describe how this topic can be taught better. These recommendations…

  11. Summary (and) recommendations

    International Nuclear Information System (INIS)

    1992-01-01

    This report looks at the Health and Safety record at the Atomic Weapons Establishment at Aldermaston. The last outside report was by Pochin in 1978 which recommended that staffing for health physicists and maintenance staff should be increased and that some buildings where solid and liquid radioactive wastes were processed should be replaced. A new facility to process contaminated heavy equipment was also recommended. This report finds that none of the recommendations have been fully implemented. It also lists accidents, fires and worker contamination. It is concluded that some of the problems are that nuclear weapons production is inherently unsafe and cannot be made safe, that the secrecy surrounding the establishments' safety record is not good for improving it and finally the report calls for production at Aldermaston to be halted. (UK)

  12. Archetypal Game Recommender Systems

    DEFF Research Database (Denmark)

    Sifa, Rafet; Bauckhage, C.; Drachen, Anders

    2014-01-01

    Contemporary users (players, consumers) of digital games have thousands of products to choose from, which makes nding games that t their interests challenging. Towards addressing this challenge, in this paper two dierent formulations of Archetypal Analysis for Top-L recommender tasks using implicit...... feedback are presented: factor- and neighborhood-oriented models. These form the rst application of rec- ommender systems to digital games. Both models are tested on a dataset of 500,000 users of the game distribution platform Steam, covering game ownership and playtime data across more than 3000 games....... Compared to four other recommender models (nearest neighbor, two popularity mod- els, random baseline), the archetype based models provide the highest recall rates showing that Archetypal Analysis can be successfully applied for Top-L recommendation purposes...

  13. Recommending Multidimensional Queries

    Science.gov (United States)

    Giacometti, Arnaud; Marcel, Patrick; Negre, Elsa

    Interactive analysis of datacube, in which a user navigates a cube by launching a sequence of queries is often tedious since the user may have no idea of what the forthcoming query should be in his current analysis. To better support this process we propose in this paper to apply a Collaborative Work approach that leverages former explorations of the cube to recommend OLAP queries. The system that we have developed adapts Approximate String Matching, a technique popular in Information Retrieval, to match the current analysis with the former explorations and help suggesting a query to the user. Our approach has been implemented with the open source Mondrian OLAP server to recommend MDX queries and we have carried out some preliminary experiments that show its efficiency for generating effective query recommendations.

  14. Non-thermally activated chemistry

    International Nuclear Information System (INIS)

    Stiller, W.

    1987-01-01

    The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

  15. Experience of water chemistry and radiation levels in Swedish BWRs

    International Nuclear Information System (INIS)

    Ivars, R.; Elkert, J.

    1981-01-01

    From the BWR operational experience in Sweden it has been found that the occupational radiation exposures have been comparatively low in an international comparison. One main reason for the favourable conditions is the good water chemistry performance. This paper deals at first with the design considerations of water chemistry and materials selection. Next, the experience of water chemistry and radiation levels are provided. Finally, some methods to further reduce the radiation sources are discussed. (author)

  16. State of the art report on iodine chemistry

    International Nuclear Information System (INIS)

    Clement, B.; Cantrel, L.; Ducros, G.; Funke, F.; Herranz, L.; Rydl, A.; Weber, G.; Wren, C.

    2007-01-01

    An accident in which the normal core cooling is lost could lead to fuel elements melting and fission product release beyond the plant limits. Nuclear power plants are designed with engineering systems and associated operational procedures which provide an in-depth defence against such accidents. Iodine is a major contributor to the potential source term to the environment, thus a good understanding of its behaviour and validated calculation tools are required to perform meaningful risk analyses and make decisions in the field of accident management, mitigation measures and emergency procedures. A number of experimental programmes, involving separate-effect and integral tests have been carried out during the last decade, providing new and valuable results that have improved our understanding of iodine phenomena. A modelling effort has also been pursued in order to encapsulate the acquired knowledge in the calculation tools prepared for predicting the iodine behaviour under severe accident conditions. In view of the progress made, the Working Group on Analysis and Management of Accidents (GAMA) considered the necessity of producing a status paper on iodine chemistry, with the following objectives: - to review insights gained and evaluate the progress made during the last 10 years on the understanding of phenomena governing iodine chemistry and release in the case of a reactor severe accident, - to evaluate the current status of iodine chemistry knowledge and tools used for source term prediction in connection with accident management and emergency planning, under various reactor conditions, to identify the remaining weaknesses, discuss the reactor safety relevance of these issues and make recommendations as necessary. This paper aims at shedding light on the present situation, helping end-users and decision makers to adequately address questions related to iodine behaviour under severe accident conditions, and to essential programmes of work in this area

  17. New Insulin Delivery Recommendations.

    Science.gov (United States)

    Frid, Anders H; Kreugel, Gillian; Grassi, Giorgio; Halimi, Serge; Hicks, Debbie; Hirsch, Laurence J; Smith, Mike J; Wellhoener, Regine; Bode, Bruce W; Hirsch, Irl B; Kalra, Sanjay; Ji, Linong; Strauss, Kenneth W

    2016-09-01

    Many primary care professionals manage injection or infusion therapies in patients with diabetes. Few published guidelines have been available to help such professionals and their patients manage these therapies. Herein, we present new, practical, and comprehensive recommendations for diabetes injections and infusions. These recommendations were informed by a large international survey of current practice and were written and vetted by 183 diabetes experts from 54 countries at the Forum for Injection Technique and Therapy: Expert Recommendations (FITTER) workshop held in Rome, Italy, in 2015. Recommendations are organized around the themes of anatomy, physiology, pathology, psychology, and technology. Key among the recommendations are that the shortest needles (currently the 4-mm pen and 6-mm syringe needles) are safe, effective, and less painful and should be the first-line choice in all patient categories; intramuscular injections should be avoided, especially with long-acting insulins, because severe hypoglycemia may result; lipohypertrophy is a frequent complication of therapy that distorts insulin absorption, and, therefore, injections and infusions should not be given into these lesions and correct site rotation will help prevent them; effective long-term therapy with insulin is critically dependent on addressing psychological hurdles upstream, even before insulin has been started; inappropriate disposal of used sharps poses a risk of infection with blood-borne pathogens; and mitigation is possible with proper training, effective disposal strategies, and the use of safety devices. Adherence to these new recommendations should lead to more effective therapies, improved outcomes, and lower costs for patients with diabetes. Copyright © 2016 Mayo Foundation for Medical Education and Research. Published by Elsevier Inc. All rights reserved.

  18. Review of ICRP recommendations

    International Nuclear Information System (INIS)

    Goldfinch, E.P.

    1987-01-01

    Events in both the scientific world and in the public domain have added pressure to review the recommendations of the ICRP on which radiation protection legislation in most countries is founded. A brief editorial pleads for clarity in ICRP recommendations, suggests the use solely of cumulative with age individual occupational dose limits, suggests that collective doses including both occupational and to the public should be kept as low as reasonably achievable, judged on quantitative economic grounds, and suggests the setting of a probability for serious accidents which may be disregarded in planning. (UK)

  19. Fission product chemistry in severe nuclear reactor accidents

    International Nuclear Information System (INIS)

    Nichols, A.L.

    1990-09-01

    A specialist's meeting was held at JRC-Ispra from 15 to 17 January 1990 to review the current understanding of fission-product chemistry during severe accidents in light water reactors. Discussions focussed on the important chemical phenomena that could occur across the wide range of conditions of a damaged nuclear plant. Recommendations for future chemistry work were made covering the following areas: (a) fuel degradation and fission-product release, (b) transport and attenuation processes in the reactor coolant system, (c) containment chemistry (iodine behaviour and core-concrete interactions)

  20. Water chemistry control practices and data of the European BWR fleet

    International Nuclear Information System (INIS)

    Stellwag, B.; Laendner, A.; Weiss, S.; Huettner, F.

    2010-01-01

    Nineteen BWR plants are in operation in Europe, nine built by ASEA Atom, six by Siemens KWU and four by General Electric. This paper gives an overview of water chemistry operation practices and parameters of the European BWR plants. General design characteristics of the plants are described. Chemistry control strategies and underlying water chemistry guidelines are summarized. Chemistry data are presented and discussed with regard to plant design characteristics. The paper is based on a contract of the European BWR Forum with AREVA on a chemistry sourcebook for member plants. The survey of chemistry data was conducted for the years 2002 to 2008. (author)