ChemAND - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

Turner, C.W.; Mitchel, G.R.; Tosello, G.; Balakrishnan, P.V.; McKay, G.; Thompson, M.; Dundar, Y.; Bergeron, M.; Laporte, R.

2001-03-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation. These parameters can be used as inputs to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently includes two analytical models developed for the balance-of-plant. The first model, ChemSolv, calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information can be used by plant staff to evaluate the susceptibility of the SG tubes to crevice corrosion. ChemSolv also calculates chemistry conditions throughout the steam-cycle system as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. The second model, SLUDGE, calculates the deposit loading and distribution in the SG as a function of time, based on concentrations of corrosion product in the final feedwater for both normal and start-up conditions. Operations personnel can use this information to predict where to inspect and when to clean. (author)

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)

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…

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)…

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

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.

ChemANDTM - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

Turner, C.W.; Mitchel, G.R.; Balakrishnan, P.V.; Tosello, G.

1999-07-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation and feeds these parameters to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently has two analytical models developed for the balance-of-plant. CHEMSOLV calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information will be used by operations personnel to evaluate the potential for SG tube corrosion in the crevice region. CHEMSOLV also calculates chemistry conditions throughout the steam-cycle system, as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. A second model, SLUDGE, calculates the deposit loading in the SG as a function of time, based on concentrations of corrosion product in the final feedwater and plant operating conditions. Operations personnel can use this information to predict where to inspect and when to clean. In a future development, SLUDGE will track deposit loading arising from start-up crud bursts and will be used in conjunction with the thermohydraulics code, THIRST, to predict

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

Catalysis as a foundational pillar of green chemistry

Energy Technology Data Exchange (ETDEWEB)

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

2001-11-30

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

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)

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.

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.

ChemAND{sup TM} - a system health monitor for plant chemistry

Energy Technology Data Exchange (ETDEWEB)

Turner, C.W.; Mitchel, G.R.; Balakrishnan, P.V.; Tosello, G

1999-07-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation and feeds these parameters to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently has two analytical models developed for the balance-of-plant. CHEMSOLV calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information will be used by operations personnel to evaluate the potential for SG tube corrosion in the crevice region. CHEMSOLV also calculates chemistry conditions throughout the steam-cycle system, as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. A second model, SLUDGE, calculates the deposit loading in the SG as a function of time, based on concentrations of corrosion product in the final feedwater and plant operating conditions. Operations personnel can use this information to predict where to inspect and when to clean. In a future development, SLUDGE will track deposit loading arising from start-up crud bursts and will be used in conjunction with the thermohydraulics code, THIRST, to

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.

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....

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…

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.

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.

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…

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.

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.

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].

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.

"Green chemistry": os 12 princípios da química verde e sua inserção nas atividades de ensino e pesquisa Green chemistry: the 12 principles of green chemistry and it insertion in the teach and research activities

Directory of Open Access Journals (Sweden)

Eder João Lenardão

2003-01-01

Full Text Available Green chemistry ¾ defined as the design, development, and application of chemical processes and products to reduce or eliminate the use and generation of substances hazardous to human health and the environment. This article summarizes the 12 principles of green chemistry, describing how they have been applied to the academic, industrial and research activities around the world.

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

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...

42 CFR 493.929 - Chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Chemistry. 493.929 Section 493.929 Public Health... Proficiency Testing Programs by Specialty and Subspecialty § 493.929 Chemistry. The subspecialties under the specialty of chemistry for which a proficiency testing program may offer proficiency testing are routine...

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.

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.

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.…

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.

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.

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…

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

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…

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...

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.

Greening a Chemistry Teaching Methods Course at the School of Educational Studies, Universiti Sains Malaysia

Science.gov (United States)

Karpudewan, Mageswary; Hj Ismail, Zurida; Mohamed, Norita

2011-01-01

Green chemistry is the design, development and implementation of chemical products and processes to reduce or eliminate the use of sub-stances hazardous to human health and the environment. This article reports on the integration of green chemistry and sustainable development concepts (SDCs) into an existing teaching methods course for chemistry…

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.

A Framework for Understanding Student Nurses' Experience of Chemistry as Part of a Health Science Course

Science.gov (United States)

Boddey, Kerrie; de Berg, Kevin

2018-01-01

Twenty-seven first-year nursing students, divided across six focus groups formed on the basis of their past chemistry experience, were interviewed about their chemistry experience as a component of a Health Science unit. Information related to learning and academic performance was able to be established from student conversations resulting in…

Chemistry in Context: Analysis of Thematic Chemistry Videos Available Online

Science.gov (United States)

Christensson, Camilla; Sjöström, Jesper

2014-01-01

United Nations declared 2011 to be the International Year of Chemistry. The Swedish Chemical Society chose twelve themes, one for each month, to highlight the connection of chemistry with everyday life. Examples of themes were fashion, climate change, love, sports, communication, health issues, and food. From the themes various context-based…

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

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

42 CFR 493.839 - Condition: Chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Chemistry. 493.839 Section 493.839... These Tests § 493.839 Condition: Chemistry. The specialty of chemistry includes for the purposes of proficiency testing the subspecialties of routine chemistry, endocrinology, and toxicology. ...

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.

The medicinal chemistry of Chikungunya virus.

Science.gov (United States)

da Silva-Júnior, Edeildo F; Leoncini, Giovanni O; Rodrigues, Érica E S; Aquino, Thiago M; Araújo-Júnior, João X

2017-08-15

Arthropod-borne viruses (arboviruses) are an important threat to human and animal health globally. Among these, zoonotic diseases account for billions of cases of human illness and millions of deaths every year, representing an increasing public health problem. Chikungunya virus belongs to the genus Alphavirus of the family Togariridae, and is transmitted mainly by the bite of female mosquitoes of the Aedes aegypti and/or A. albopictus species. The focus of this review will be on the medicinal chemistry of Chikungunya virus, including synthetic and natural products, as well as rationally designed compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

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)

Effective Chemistry Communication in Informal Environments

Science.gov (United States)

National Academies Press, 2016

2016-01-01

Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…

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...

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…

42 CFR 493.1267 - Standard: Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Standard: Routine chemistry. 493.1267 Section 493.1267 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES... Systems § 493.1267 Standard: Routine chemistry. For blood gas analyses, the laboratory must perform the...

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.

42 CFR 493.841 - Standard; Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Standard; Routine chemistry. 493.841 Section 493.841 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES... These Tests § 493.841 Standard; Routine chemistry. (a) Failure to attain a score of at least 80 percent...

Exploiting enhanced non-testing approaches to meet the needs for sustainable chemistry

Science.gov (United States)

Sustainable chemistry is the design and use of chemicals that minimize impacts to human health, ecosystems and the environment. To assess sustainability, chemicals must be evaluated not only for their toxicity to humans and other species, but also for environmental persistence an...

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.

Exploring the Model Design Space for Battery Health Management

Science.gov (United States)

Saha, Bhaskar; Quach, Cuong Chi; Goebel, Kai Frank

2011-01-01

Battery Health Management (BHM) is a core enabling technology for the success and widespread adoption of the emerging electric vehicles of today. Although battery chemistries have been studied in detail in literature, an accurate run-time battery life prediction algorithm has eluded us. Current reliability-based techniques are insufficient to manage the use of such batteries when they are an active power source with frequently varying loads in uncertain environments. The amount of usable charge of a battery for a given discharge profile is not only dependent on the starting state-of-charge (SOC), but also other factors like battery health and the discharge or load profile imposed. This paper presents a Particle Filter (PF) based BHM framework with plug-and-play modules for battery models and uncertainty management. The batteries are modeled at three different levels of granularity with associated uncertainty distributions, encoding the basic electrochemical processes of a Lithium-polymer battery. The effects of different choices in the model design space are explored in the context of prediction performance in an electric unmanned aerial vehicle (UAV) application with emulated flight profiles.

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…

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…

Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence.

Science.gov (United States)

Hillisch, Alexander; Heinrich, Nikolaus; Wild, Hanno

2015-12-01

Computational chemistry within the pharmaceutical industry has grown into a field that proactively contributes to many aspects of drug design, including target selection and lead identification and optimization. While methodological advancements have been key to this development, organizational developments have been crucial to our success as well. In particular, the interaction between computational and medicinal chemistry and the integration of computational chemistry into the entire drug discovery process have been invaluable. Over the past ten years we have shaped and developed a highly efficient computational chemistry group for small-molecule drug discovery at Bayer HealthCare that has significantly impacted the clinical development pipeline. In this article we describe the setup and tasks of the computational group and discuss external collaborations. We explain what we have found to be the most valuable and productive methods and discuss future directions for computational chemistry method development. We share this information with the hope of igniting interesting discussions around this topic. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

42 CFR 493.931 - Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Routine chemistry. 493.931 Section 493.931 Public... Proficiency Testing Programs by Specialty and Subspecialty § 493.931 Routine chemistry. (a) Program content and frequency of challenge. To be approved for proficiency testing for routine chemistry, a program...

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...

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

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)

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…

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.

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.

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)

Chemistry laboratory safety manual available

Science.gov (United States)

Elsbrock, R. G.

1968-01-01

Chemistry laboratory safety manual outlines safe practices for handling hazardous chemicals and chemistry laboratory equipment. Included are discussions of chemical hazards relating to fire, health, explosion, safety equipment and procedures for certain laboratory techniques and manipulations involving glassware, vacuum equipment, acids, bases, and volatile solvents.

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

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…

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.

42 CFR 493.1210 - Condition: Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Routine chemistry. 493.1210 Section 493....1210 Condition: Routine chemistry. If the laboratory provides services in the subspecialty of Routine chemistry, the laboratory must meet the requirements specified in §§ 493.1230 through 493.1256, § 493.1267...

Organic chemistry and biology: chemical biology through the eyes of collaboration.

Science.gov (United States)

Hruby, Victor J

2009-12-18

From a scientific perspective, efforts to understand biology including what constitutes health and disease has become a chemical problem. However, chemists and biologists "see" the problems of understanding biology from different perspectives, and this has retarded progress in solving the problems especially as they relate to health and disease. This suggests that close collaboration between chemists and biologists is not only necessary but essential for progress in both the biology and chemistry that will provide solutions to the global questions of biology. This perspective has directed my scientific efforts for the past 45 years, and in this overview I provide my perspective of how the applications of synthetic chemistry, structural design, and numerous other chemical principles have intersected in my collaborations with biologists to provide new tools, new science, and new insights that were only made possible and fruitful by these collaborations.

The Personal Health Technology Design Space

DEFF Research Database (Denmark)

Bardram, Jakob Eyvind; Frost, Mads

2016-01-01

. To enable designers to make informed and well-articulated design decision, the authors propose a design space for personal health technologies. This space consists of 10 dimensions related to the design of data sampling strategies, visualization and feedback approaches, treatment models, and regulatory......Interest is increasing in personal health technologies that utilize mobile platforms for improved health and well-being. However, although a wide variety of these systems exist, each is designed quite differently and materializes many different and more or less explicit design assumptions...

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

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…

Assessment of Antioxidant Capacities in Foods: A Research Experience for General Chemistry Students

Science.gov (United States)

Hoch, Matthew A.; Russell, Cianan B.; Steffen, Debora M.; Weaver, Gabriela C.; Burgess, John R.

2009-01-01

With the booming interest in health food and nutrition, investigations of the antioxidant capacities of various foods have come to the forefront of food science. This general chemistry laboratory curriculum provides students with an opportunity to design and implement their own experiments relating to antioxidants in food. The curriculum is six…

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 ...

Participatory Design & Health Information Technology

DEFF Research Database (Denmark)

Health Information Technology (HIT) continues to increase in importance as a component of healthcare provision, but designing HIT is complex. The creation of cooperative learning processes for future HIT users is not a simple task. The importance of engaging end users such as health professionals......, in collaboration with a wide range of people, a broad repertoire of methods and techniques to apply PD within multiple domains has been established. This book, Participatory Design & Health Information Technology, presents the contributions of researchers from 5 countries, who share their experience and insights......, patients and relatives in the design process is widely acknowledged, and Participatory Design (PD) is the primary discipline for directly involving people in the technological design process. Exploring the application of PD in HIT is crucial to all those involved in engaging end users in HIT design and...

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.)

Yearly scientific meeting: chemistry in human health and environment protection. Bialystok'92

International Nuclear Information System (INIS)

1992-01-01

The conference has been divided into 12 sections devoted to following topics: analytical chemistry; environmental chemistry; chemistry of natural compounds; chemistry of pharmaceutics and toxic compounds; chemistry in medicine; electrochemistry; young scientists forum; didactics and history of chemistry; chemistry and industry - technologies environment friendly; new trends in polymer science; crystallochemistry; pro-ecological actions in leather industry. Different analytical methods for determination of heavy methods and rare earths have been presented. Some of them have been successfully applied for the examination of environmental and biological materials. The basic chemical and physico-chemical studies including thermodynamic, crystal structure, coordination chemistry, sorption properties etc. have been extensively resented. The existence of radioactive elements in environment has been also investigated, especially in respect to municipal and industrial wastes and products of their processing. The radiation effects for different materials have been reported and discussed as well

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.

Research directions in plant protection chemistry

Directory of Open Access Journals (Sweden)

Andras Szekacs

2017-09-01

Full Text Available This Opinion paper briefly summarizes the views of the authors on the directions of research in the area of plant protection chemistry. We believe these directions need to focus on (1 the discovery of new pesticide active ingredients, and (2 the protection of human health and the environment. Research revenues are discussed thematically in topics of target site identification, pesticide discovery, environmental aspects, as well as keeping track with the international trends. The most fundamental approach, target site identification, covers both computer-aided molecular design and research on biochemical mechanisms. The discovery of various classes of pesticides is reviewed including classes that hold promise to date, as well as up-to-date methods of innovation, e.g. utilization of plant metabolomics in identification of novel target sites of biological activity. Environmental and ecological aspects represent a component of increasing importance in pesticide development by emphasizing the need to improve methods of environmental analysis and assess ecotoxicological side-effects, but also set new directions for future research. Last, but not least, pesticide chemistry and biochemistry constitute an integral part in the assessment of related fields of plant protection, e.g. agricultural biotechnology, therefore, issues of pesticide chemistry related to the development and cultivation of genetically modified crops are also discussed.

Assessment of EPRI water chemistry guidelines for new nuclear power plants

International Nuclear Information System (INIS)

Reid Richard; Kim Karen; McCree, Anisa; Eaker, Richard; Sawochka, Steve; Giannelli, Joe

2012-09-01

Water chemistry control technologies for nuclear power plants have been significantly enhanced over the past few decades to improve material and equipment reliability and fuel performance, and to minimize radionuclide production and transport. Chemistry Guidelines have been developed by the Electric Power Research Institute (EPRI) for currently operating plants and have been intermittently revised over the past twenty-five years for the protection of systems and components and for radiation management. As new plants are being designed for improved safety and increased power production, it is important to ensure that the designs consider implementation of state-of-the-art, industry developed water chemistry controls. In parallel, the industry will need to consider and update water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. EPRI has performed assessments of water chemistry control guidance or assumptions provided in design and licensing documents for several advanced plant designs. These designs include: Westinghouse AP1000 Pressurized Water Reactor AREVA US-EPR Pressurized Water Reactor Mitsubishi Nuclear Energy Systems/Mitsubishi Heavy Industries Advanced Pressurized Water Reactor Korea Hydro and Nuclear Power APR1400 Pressurized Water Reactor Toshiba Advanced Boiling Water Reactor (ABWR) General Electric-Hitachi Economic Simplified Boiling Water Reactor (ESBWR) The intent of these assessments was to identify key design differences in each of the new plant designs relative to the current operating fleet and to identify differences in water chemistry specifications or design assumptions provided in design and licensing documents for the plants in comparison to current EPRI Water Chemistry Guidelines. This paper provides a summary of the key results of these assessments. The fundamental design and operation of the advanced plants is similar to the currently operating fleet. As such, the new plants are

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.

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…

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…

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

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…

Organic Chemistry and Biology: Chemical Biology Through the Eyes of Collaboration

Science.gov (United States)

Hruby, Victor J.

2011-01-01

From a scientific perspective, efforts to understand biology including what constitutes health and disease has become a chemical problem. However, chemists and biologists “see” the problems of understanding biology from different perspectives, and this has retarded progress in solving the problems especially as they relate to health and disease. This suggests that close collaboration between chemists and biologists is not only necessary but essential for progress in both the biology and chemistry that will provide solutions to the global questions of biology. This perspective has directed my scientific efforts for the past 45 years, and in this overview I provide my perspective of how the applications of synthetic chemistry, structural design, and numerous other chemical principles have intersected in my collaborations with biologists to provide new tools, new science, and new insights that were only made possible and fruitful by these collaborations. PMID:20000552

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.

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

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…

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.

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)

VGB primary and secondary side water chemistry guidelines for PWR plants

International Nuclear Information System (INIS)

Neder, H.; Wolter, D.; Staudt, U.

2007-01-01

The recent revision of the VGB Water Chemistry Guidelines was issued in 2005 and published in the second half of 2006. These guidelines are based on the primary and secondary side operating chemistry experience with all Siemens designed pressurized water reactors gained since the beginning of the 1980s. These guidelines cover For the primary side chemistry Modified lithium boron chemistry, Zinc chemistry for dose rate reduction, Enriched boric acid (EBA) chemistry for high duty core design For the secondary side chemistry High all-volatile treatment (AVT) chemistry (high pH operation) Oxygen injection in the secondary side Especially for the secondary side chemistry, compared with the water chemistry guidelines of other organizations worldwide, these Guidelines are less stringent, providing more operational flexibility to the plant operation, and can be applied for all new designs of steam generators with egg-crates or broached hole tube supports and with I 690TT or I 800 tubing materials. This paper gives an overview of the 2006 revision of the VGB Water Chemistry Guidelines for PWR plants and describes the fundamental goals of water chemistry operation strategies. In addition, the reasons for the selected control parameters and action levels, to achieve an adequate plant performance, are presented based on the operating experience. (orig.)

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…

Health by Design: Interweaving Health Promotion into Environments and Settings

Science.gov (United States)

Springer, Andrew E.; Evans, Alexandra E.; Ortuño, Jaquelin; Salvo, Deborah; Varela Arévalo, Maria Teresa

2017-01-01

The important influence of the environmental context on health and health behavior—which includes place, settings, and the multiple environments within place and settings—has directed health promotion planners from a focus solely on changing individuals, toward a focus on harnessing and changing context for individual and community health promotion. Health promotion planning frameworks such as Intervention Mapping provide helpful guidance in addressing various facets of the environmental context in health intervention design, including the environmental factors that influence a given health condition or behavior, environmental agents that can influence a population’s health, and environmental change methods. In further exploring how to harness the environmental context for health promotion, we examine in this paper the concept of interweaving of health promotion into context, defined as weaving or blending together health promotion strategies, practices, programs, and policies to fit within, complement, and build from existing settings and environments. Health promotion interweaving stems from current perspectives in health intervention planning, improvement science and complex systems thinking by guiding practitioners from a conceptualization of context as a backdrop to intervention, to one that recognizes context as integral to the intervention design and to the potential to directly influence health outcomes. In exploring the general approach of health promotion interweaving, we examine selected theoretical and practice-based interweaving concepts in relation to four key environments (the policy environment, the information environment, the social/cultural/organizational environment, and the physical environment), followed by evidence-based and practice-based examples of health promotion interweaving from the literature. Interweaving of health promotion into context is a common practice for health planners in designing health promotion interventions, yet

Designing digital health information in a health literacy context

NARCIS (Netherlands)

Meppelink, C.S.

2016-01-01

Digital health information is widely available, but not everyone fully benefits due to limited health literacy. Until now, little was known about how health literacy influences information processing and how design features of digital health information can be used to create optimal health messages

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

The first step in "drug" discovery is to find compounds binding to a potential drug target. In modern medicinal chemistry, the screening of a chemical library, structure-based drug design, and ligand-based drug design, or a combination of these methods, are generally used for identifying the desired compounds. However, they do not necessarily lead to success and there is no infallible method for drug discovery. Therefore, it is important to explore medicinal chemistry based on not only the conventional methods but also new ideas. So far, we have found various compounds as drug candidates. In these studies, some strategies based on organic chemistry have allowed us to find drug candidates, through 1) construction of a focused library using organic reactions and 2) rational design of enzyme inhibitors based on chemical reactions catalyzed by the target enzyme. Medicinal chemistry based on organic chemical reactions could be expected to supplement the conventional methods. In this review, we present drug discovery with the help of organic chemistry showing examples of our explorative studies on histone deacetylase inhibitors and lysine-specific demethylase 1 inhibitors.

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

ANT International chemistry update and best practices

International Nuclear Information System (INIS)

Nordmann, F.; Odar, S.; Venz, H.; Kysela, J.; Ruehle, W.; Riess, R.

2010-01-01

There is an increasing number of Nuclear Power Plants (NPP) in various countries. Their chemistry practices are different due to the variety of designs and experiences while in the past the view was more monolithic. This is allowing a very rich experience that is extremely difficult to fully be aware of. ANT International is now collecting and evaluating these data as well as related R and D Information. This allows interested parties to have an easier access to the various sources of information. The chemistry experts associated to ANT International have been gathering a comprehensive detailed view of: The numerous laboratory data gained all over the world during the past decades; The extensive plant operating experiences with various types of chemistry strategies, crosschecked for various types of reactors designs and materials; An experienced international knowledge able to give the comprehensive overview that young engineers now in charge of many other activities are unable to fully cover. This paper gives the core conclusions of the detailed ANT International reports and results that have recently been gathered in the area of chemistry. It particularly covers: The primary water chemistry and its relation with radionuclides, dose rates and fuel behaviour; The secondary water chemistry focusing on its rationale selection depending on materials, design and other constraints; The start up and shutdown chemistry with it large variety of practices hardly understandable even for some experts; and, The maintenance remedies such as decontamination, steam generator cleaning and its alternate options. Various types of Reactor designs (PWR, VVER, BWR, CANDU®) are considered. The different materials, for example the impact of steam generator tubing and its evolution on the secondary water chemistry rationale or on the radioactivity built-up in the primary coolant, are described. The ways to improve the plant operation with a long term reliability as well as the most

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…

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…

Selective host molecules obtained by dynamic adaptive chemistry.

Science.gov (United States)

Matache, Mihaela; Bogdan, Elena; Hădade, Niculina D

2014-02-17

Up till 20 years ago, in order to endow molecules with function there were two mainstream lines of thought. One was to rationally design the positioning of chemical functionalities within candidate molecules, followed by an iterative synthesis-optimization process. The second was the use of a "brutal force" approach of combinatorial chemistry coupled with advanced screening for function. Although both methods provided important results, "rational design" often resulted in time-consuming efforts of modeling and synthesis only to find that the candidate molecule was not performing the designed job. "Combinatorial chemistry" suffered from a fundamental limitation related to the focusing of the libraries employed, often using lead compounds that limit its scope. Dynamic constitutional chemistry has developed as a combination of the two approaches above. Through the rational use of reversible chemical bonds together with a large plethora of precursor libraries, one is now able to build functional structures, ranging from quite simple molecules up to large polymeric structures. Thus, by introduction of the dynamic component within the molecular recognition processes, a new perspective of deciphering the world of the molecular events has aroused together with a new field of chemistry. Since its birth dynamic constitutional chemistry has continuously gained attention, in particular due to its ability to easily create from scratch outstanding molecular structures as well as the addition of adaptive features. The fundamental concepts defining the dynamic constitutional chemistry have been continuously extended to currently place it at the intersection between the supramolecular chemistry and newly defined adaptive chemistry, a pivotal feature towards evolutive chemistry. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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)

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'

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.

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.

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.

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.

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)

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.

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.

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.

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.

Assessment of EPRI water chemistry guidelines for new nuclear power plants

Energy Technology Data Exchange (ETDEWEB)

Kim, K.; Fruzzetti, K.; Garcia, S. [Electric Power Research Inst., Palo Alto, California (United States); Eaker, R. [Richard W. Eaker, LLC, Matthews, North Carolina (United States); Giannelli, J.; Tangen, J. [Finetech, Inc., Parsippany, New Jersey (United States); Gorman, J.; Marks, C. [Dominion Engineering, Inc., Reston, Virginia (United States); Sawochka, S. [NWT Corp., San Jose, California (United States)

2010-07-01

Water chemistry control technologies for nuclear power plants have been significantly enhanced over the past few decades to improve material and equipment reliability and fuel performance, and to minimize radionuclide production and transport. Chemistry Guidelines have been developed by the Electric Power Research Institute (EPRI) for current operating plants and have been intermittently revised over the past twenty-five years for the protection of systems and components and for radiation management. As new plants are being designed for improved safety and increased power production, it is important to ensure that the designs consider implementation of industry approved water chemistry controls. In parallel, the industry will need to consider and develop updated water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. In 2010, EPRI began to assess chemistry control strategies at advanced plants, based on the Design Control Documents (DCDs), Combined Construction and Operating License Applications (COLA), and operating experiences (where they exist) against current Water Chemistry Guidelines. Based on this assessment, differences between planned chemistry operations at new plants and the current Guidelines will be identified. This assessment will form the basis of future activities to address these differences. The project will also assess and provide, as feasible, water chemistry guidance for startup and hot functional testing of the new plants. EPRI will initially assess the GE-Hitachi/Toshiba ABWR and the Westinghouse AP1000 designs. EPRI subsequently plans to assess other plant designs such as the AREVA U.S. EPR, Mitsubishi Heavy Industries (MHI) U.S. APWR, and GE-Hitachi (GE-H) ESBWR. This paper discusses the 2010 assessments of the ABWR and AP1000. (author)

Assessment of EPRI water chemistry guidelines for new nuclear power plants

International Nuclear Information System (INIS)

Kim, K.; Fruzzetti, K.; Garcia, S.; Eaker, R.; Giannelli, J.; Tangen, J.; Gorman, J.; Marks, C.; Sawochka, S.

2010-01-01

Water chemistry control technologies for nuclear power plants have been significantly enhanced over the past few decades to improve material and equipment reliability and fuel performance, and to minimize radionuclide production and transport. Chemistry Guidelines have been developed by the Electric Power Research Institute (EPRI) for current operating plants and have been intermittently revised over the past twenty-five years for the protection of systems and components and for radiation management. As new plants are being designed for improved safety and increased power production, it is important to ensure that the designs consider implementation of industry approved water chemistry controls. In parallel, the industry will need to consider and develop updated water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. In 2010, EPRI began to assess chemistry control strategies at advanced plants, based on the Design Control Documents (DCDs), Combined Construction and Operating License Applications (COLA), and operating experiences (where they exist) against current Water Chemistry Guidelines. Based on this assessment, differences between planned chemistry operations at new plants and the current Guidelines will be identified. This assessment will form the basis of future activities to address these differences. The project will also assess and provide, as feasible, water chemistry guidance for startup and hot functional testing of the new plants. EPRI will initially assess the GE-Hitachi/Toshiba ABWR and the Westinghouse AP1000 designs. EPRI subsequently plans to assess other plant designs such as the AREVA U.S. EPR, Mitsubishi Heavy Industries (MHI) U.S. APWR, and GE-Hitachi (GE-H) ESBWR. This paper discusses the 2010 assessments of the ABWR and AP1000. (author)

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,…

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

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.

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.

New trends and developments in radiation chemistry

International Nuclear Information System (INIS)

1989-10-01

Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It uses radiation as the initiator of chemical reactions. Practical applications of radiation chemistry today extend to many fields, including health care, food and agriculture, manufacturing, industrial pollution abatement, biotechnology and telecommunications. The important advantage of radiation chemistry lies in its ability to be used to produce, and study, almost any reactive atomic and molecular species playing a part in chemical reactions, synthesis, industrial processes, or in biological systems. The techniques are applicable to gaseous, liquid, solid, and heterogeneous systems. By combining different techniques of radiation chemistry with analytical chemistry, the reaction mechanism and kinetics of chemical reactions are studied. In November 1988 in Bologna, Italy, the IAEA convened an advisory group meeting to assess new trends and developments in radiation chemistry. The present publication includes most of the contributions presented at the meeting. Refs, figs and tabs

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.

Outline of investigation on restraint of carbon dioxide generation by green chemistry. 1999.1-1999.3; 1998 nendo green chemistry ni yoru CO2 hassei yokusei ni kakawaru chosa kenkyu chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-03-01

Investigations were conducted into the above in some leading OECD (Organization for Economic Cooperation and Development) member states. Green chemistry is a new concept in which clean technology, environment-friendly chemistry, and the like are combined, and is a chemical solution for reducing or stopping the use or generation of materials, products, by-products, solvents, reagents, etc., which are dangerous to health and environments, throughout the whole life cycle of chemicals covering the processes of their designing, manufacturing, dumping, and recycling. In this fiscal year, the actual state of the generation of biomass, regarded as representative of reproducible materials, and its feasibility as chemical resources were investigated. In an effort at finding out chemical reactions safer to health and causing less environmental impact, investigations were also conducted into the recent trends of catalysts, novel reactions for organic syntheses, use of supercritical fluids, photocatalysts, biomimetic processes, etc. The development of substitutes for plastic additives was also studied. Since acceptance by the citizenry is quite important for green chemistry to take effect, educating and enlightening activities in the U.S., Britain, France, and Germany were inquired into. (NEDO)

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.

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.

What are today's choices for PWRs water chemistry?

International Nuclear Information System (INIS)

Berge, P.

1998-01-01

Water chemistry has always been, from the very beginning of operation of power Pressurized Water Reactors (PWRs), an important factor in determining the integrity of many reactor components. For both the primary and secondary coolant circuits, the parameters to control the quality of the chemistry have been subject to changes in time. These changes were dictated mainly by corrosion problems which required an adjustment of the chemistry, before any modification could be made in the design or the selection of materials for the subsequently built reactors or replacement components. The situation today, despite 40 years of experience, still leaves open different options for the specifications of the chemistry of the circuits. These options are sometimes due to differences in design or materials of the circuits, but more often, to the perception by the plant chemists, of the role of the chemistry on the different phenomena which could affect the operation of their plant. Paul Cohen, who was well known in the nuclear industry for the early development of the chemistry in PWRs in the USA, used to say, 'if the head chemist has changed in a plant, the chemistry will change'. The purpose of this lecture is to discuss some of the options which are offered to the chemist in compliance with the basic principles of the chemistry guidelines. (J.P.N.)

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

Healthy Gaming - Video Game Design to promote Health.

Science.gov (United States)

Brox, E; Fernandez-Luque, L; Tøllefsen, T

2011-01-01

There is an increasing interest in health games including simulation tools, games for specific conditions, persuasive games to promote a healthy life style or exergames where physical exercise is used to control the game. The objective of the article is to review current literature about available health games and the impact related to game design principles as well as some educational theory aspects. Literature from the big databases and known sites with games for health has been searched to find articles about games for health purposes. The focus has been on educational games, persuasive games and exergames as well as articles describing game design principles. The medical objectives can either be a part of the game theme (intrinsic) or be totally dispatched (extrinsic), and particularly persuasive games seem to use extrinsic game design. Peer support is important, but there is only limited research on multiplayer health games. Evaluation of health games can be both medical and technical, and the focus will depend on the game purpose. There is still not enough evidence to conclude which design principles work for what purposes since most of the literature in health serious games does not specify design methodologies, but it seems that extrinsic methods work in persuasion. However, when designing health care games it is important to define both the target group and main objective, and then design a game accordingly using sound game design principles, but also utilizing design elements to enhance learning and persuasion. A collaboration with health professionals from an early design stage is necessary both to ensure that the content is valid and to have the game validated from a clinical viewpoint. Patients need to be involved, especially to improve usability. More research should be done on social aspects in health games, both related to learning and persuasion.

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

Chemical Education Research: Improving Chemistry Learning

Science.gov (United States)

Dudley Herron, J.; Nurrenbern, Susan C.

1999-10-01

Chemical education research is the systematic investigation of learning grounded in a theoretical foundation that focuses on understanding and improving learning of chemistry. This article reviews many activities, changes, and accomplishments that have taken place in this area of scholarly activity despite its relatively recent emergence as a research area. The article describes how the two predominant broad perspectives of learning, behaviorism and constructivism, have shaped and influenced chemical education research design, analysis, and interpretation during the 1900s. Selected research studies illustrate the range of research design strategies and results that have contributed to an increased understanding of learning in chemistry. The article also provides a perspective of current and continuing challenges that researchers in this area face as they strive to bridge the gap between chemistry and education - disciplines with differing theoretical bases and research paradigms.

Medicinal chemistry and the pharmacy curriculum.

Science.gov (United States)

Khan, M O Faruk; Deimling, Michael J; Philip, Ashok

2011-10-10

The origins and advancements of pharmacy, medicinal chemistry, and drug discovery are interwoven in nature. Medicinal chemistry provides pharmacy students with a thorough understanding of drug mechanisms of action, structure-activity relationships (SAR), acid-base and physicochemical properties, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles. A comprehensive understanding of the chemical basis of drug action equips pharmacy students with the ability to answer rationally the "why" and "how" questions related to drug action and it sets the pharmacist apart as the chemical expert among health care professionals. By imparting an exclusive knowledge base, medicinal chemistry plays a vital role in providing critical thinking and evidence-based problem-solving skills to pharmacy students, enabling them to make optimal patient-specific therapeutic decisions. This review highlights the parallel nature of the history of pharmacy and medicinal chemistry, as well as the key elements of medicinal chemistry and drug discovery that make it an indispensable component of the pharmacy curriculum.

A user-centered model for designing consumer mobile health (mHealth) applications (apps).

Science.gov (United States)

Schnall, Rebecca; Rojas, Marlene; Bakken, Suzanne; Brown, William; Carballo-Dieguez, Alex; Carry, Monique; Gelaude, Deborah; Mosley, Jocelyn Patterson; Travers, Jasmine

2016-04-01

Mobile technologies are a useful platform for the delivery of health behavior interventions. Yet little work has been done to create a rigorous and standardized process for the design of mobile health (mHealth) apps. This project sought to explore the use of the Information Systems Research (ISR) framework as guide for the design of mHealth apps. Our work was guided by the ISR framework which is comprised of 3 cycles: Relevance, Rigor and Design. In the Relevance cycle, we conducted 5 focus groups with 33 targeted end-users. In the Rigor cycle, we performed a review to identify technology-based interventions for meeting the health prevention needs of our target population. In the Design Cycle, we employed usability evaluation methods to iteratively develop and refine mock-ups for a mHealth app. Through an iterative process, we identified barriers and facilitators to the use of mHealth technology for HIV prevention for high-risk MSM, developed 'use cases' and identified relevant functional content and features for inclusion in a design document to guide future app development. Findings from our work support the use of the ISR framework as a guide for designing future mHealth apps. Results from this work provide detailed descriptions of the user-centered design and system development and have heuristic value for those venturing into the area of technology-based intervention work. Findings from this study support the use of the ISR framework as a guide for future mHealth app development. Use of the ISR framework is a potentially useful approach for the design of a mobile app that incorporates end-users' design preferences. Copyright © 2016 Elsevier Inc. All rights reserved.

Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

Science.gov (United States)

Cullipher, Steven Gene

Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

The A[subscript 1c] Blood Test: An Illustration of Principles from General and Organic Chemistry

Science.gov (United States)

Kerber, Robert C.

2007-01-01

The glycated hemoglobin blood test, usually designated as the A[subscript 1c] test, is a key measure of the effectiveness of glucose control in diabetics. The chemistry of glucose in the bloodstream, which underlies the test and its impact, provides an illustration of the importance of chemical equilibrium and kinetics to a major health problem.…

Privacy by design in personal health monitoring.

Science.gov (United States)

Nordgren, Anders

2015-06-01

The concept of privacy by design is becoming increasingly popular among regulators of information and communications technologies. This paper aims at analysing and discussing the ethical implications of this concept for personal health monitoring. I assume a privacy theory of restricted access and limited control. On the basis of this theory, I suggest a version of the concept of privacy by design that constitutes a middle road between what I call broad privacy by design and narrow privacy by design. The key feature of this approach is that it attempts to balance automated privacy protection and autonomously chosen privacy protection in a way that is context-sensitive. In personal health monitoring, this approach implies that in some contexts like medication assistance and monitoring of specific health parameters one single automatic option is legitimate, while in some other contexts, for example monitoring in which relatives are receivers of health-relevant information rather than health care professionals, a multi-choice approach stressing autonomy is warranted.

Impact of General Chemistry on Student Achievement and Progression to Subsequent Chemistry Courses: A Regression Discontinuity Analysis

Science.gov (United States)

Shultz, Ginger V.; Gottfried, Amy C.; Winschel, Grace A.

2015-01-01

General chemistry is a gateway course that impacts the STEM trajectory of tens of thousands of students each year, and its role in the introductory curriculum as well as its pedagogical design are the center of an ongoing debate. To investigate the role of general chemistry in the curriculum, we report the results of a posthoc analysis of 10 years…

Chasing molecules: poisonous products, human health, and the promise of green chemistry

National Research Council Canada - National Science Library

Grossman, Elizabeth

2009-01-01

In Chasing Molecules, investigative journalist Elizabeth Grossman opens the door on a new world of chemistry-green chemistry - and the scientists who are unearthing the field's potential to transform...

Maintenance, outages and chemistry really can be compatible

International Nuclear Information System (INIS)

Roberts, J.G.; Deaconescu, R.

2006-01-01

'Full text:' In their address to the Canadian Nuclear Society, Bruce Power's Chemistry Design staff will describe how maintenance and outages can impact negatively on chemistry control and asset protection. Considerations of material impacts and material condition have significant influences on the approach to, and control of, chemistry. This applies equally to operation as it does during unit and/or system outages. Ideas will be presented as to how to facilitate making maintenance, outages and chemistry compatible. It will be shown how the lack of such an approach can lead to disastrous results. (author)

Green chemistry applied to corrosion and scale inhibitors

Energy Technology Data Exchange (ETDEWEB)

Darling, D.; Rakshpal, R. [Environmental Protection Agency, Washington, DC (United States)

1998-12-31

Numerous breakthroughs in environmental protection and pollution prevention have been realized in recent years by both industry and academia through the application of green chemistry principles. Green chemistry, or pollution prevention at the molecular level, is chemistry designed to reduce or eliminate the use or generation of hazardous materials associated with the manufacture and application of chemicals. The application of the green chemistry principles to the areas of corrosion and scale inhibitors has resulted in the reduction/elimination of many of the more toxic inhibitors and the development of newer, more environmentally friendly ones.

Design of wearable health monitoring device

Science.gov (United States)

Devara, Kresna; Ramadhanty, Savira; Abuzairi, Tomy

2018-02-01

Wearable smart health monitoring devices have attracted considerable attention in both research community and industry. Some of the causes are the increasing healthcare costs, along with the growing technology. To address this demand, in this paper, design and evaluation of wearable health monitoring device integrated with smartphone were presented. This device was designed for patients in need of constant health monitoring. The performance of the proposed design has been tested by conducting measurement once in 2 minutes for 10 minutes to obtain heart rate and body temperature data. The comparation between data measured by the proposed device and that measured by the reference device yields only an average error of 1.45% for heart rate and 1.04% for body temperature.

Chemistry: A contemporary approach. Second edition

International Nuclear Information System (INIS)

Miller, G.T.; Lygre, D.; Smith, W.

1987-01-01

This text provides a basic introduction to the principles of chemistry (in Chapters 1-9) and to the three major applied areas: Resources and Environment (four chapters); consumer issues (five chapters); and health (four chapters). The broad coverage of applications appeals to widely varied interests and provides variety for assignments. Following changes are made in the new edition: Completely rewritten to simplify the overall structure and presentation. Core section now includes chapters on acid/base and oxidation/reduction reactions, biochemistry, and a section on stoichiometry. Environmental section updated. New chapter on metal and mineral resources. Consumer chemistry expanded considerably. Health section expanded to include new material on genetic engineering, prosthetic engineering, and new drugs

Primary water chemistry for NPP with VVER-TOI

International Nuclear Information System (INIS)

Susakin, S.N.; Brykov, S.I.; Zadonsky, N.V.; Bystrova, O.S.

2012-09-01

Nowadays within the framework of development of the nuclear power industry in Russia the VVER-TOI reactor is under designing (Standard optimized design). The given design provides for improvement of operation safety level, of technical-economic, operational and load-follow characteristics, and for the raise of competitive capacity of reactor plant and NPP as a whole. In VVER-TOI reactor plant design the primary water chemistry has been improved considering operation experience of VVER reactor plants and a possibility of RP operation under load-follow modes from the viewpoint of meeting the following requirements: - suppression of generation of oxidizing radiolytic products under power operation; - assurance of corrosion resistance of structural materials of equipment and pipelines throughout the NPP design service life; - minimization of deposits on surfaces of the reactor core fuel rods and on heat exchange surface of steam generators; - minimization of accumulation of activated corrosion products; - minimization of the amount of radioactive processing waste. In meeting these requirements an important role is devoted to suppression of generation of oxidizing radiolytic products owing to accumulation of hydrogen in the primary coolant. At NPP with VVER-1000 reactor the ammonia-potassium water chemistry is used wherein the hydrogen accumulation is provided at the expense of ammonia proportioning. Usage of ammonia leads to generation of additional amount of radioactive processing waste and to increased irregularity of maintaining the water chemistry under the daily load-follow modes. In VVER TOI design the primary water chemistry is improved by replacing the proportioning of ammonia with the proportioning of gaseous hydrogen. Different process schemes were considered that provide for a possibility of hydrogen accumulation and maintaining owing to direct proportioning of gaseous hydrogen. The obtained results showed that transition to the potassium water chemistry

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.

Molecular Twister: A Game for Exploring Solution Chemistry

Directory of Open Access Journals (Sweden)

Sawyer R. Masonjones

2014-02-01

Full Text Available pH is an essential biological concept with critical importance at various scales, from the molecular level, dealing with blood buffers, homeostasis, and proton gradients, all the way up to the ecosystem level, with soil chemistry and acid rain. However, pH is also a concept that spawns student misconceptions and misunderstanding in terms of what is happening in a solution on the atomic level. The Molecular Twister game, created for a Florida Department of Education funded professional development workshop for Florida high school teachers hosted at the University of Tampa  (Science Math Masters, seeks to model pH in such a way that students can visually and kinesthetically learn the concept in a few minutes. In addition, the basic design of the game pieces allow for teaching extensions to include more complex acid-base reactions. Challenge questions are provided to allow teachers to bring relevancy to the game, using examples of acid-base chemistry pulled from cases in human health and the environment.

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...

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...

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.)

Maintenance, outages and chemistry really can be compatible

Energy Technology Data Exchange (ETDEWEB)

Roberts, J.G.; Deaconescu, R. [Bruce Power, Tiverton, Ontario (Canada)

2006-07-01

'Full text:' In their address to the Canadian Nuclear Society, Bruce Power's Chemistry Design staff will describe how maintenance and outages can impact negatively on chemistry control and asset protection. Considerations of material impacts and material condition have significant influences on the approach to, and control of, chemistry. This applies equally to operation as it does during unit and/or system outages. Ideas will be presented as to how to facilitate making maintenance, outages and chemistry compatible. It will be shown how the lack of such an approach can lead to disastrous results. (author)

Designing Mobile Health Technology for Bipolar Disorder

DEFF Research Database (Denmark)

Bardram, JE; Frost, Mads; Szántó, Károly

2013-01-01

usefulness of the system was high. Based on this study, the paper discusses three HCI questions related to the design of personal health technologies; how to design for disease awareness and self-treatment, how to ensure adherence to personal health technologies, and the roles of different types...

Iodine chemistry in a reactor regulation

Energy Technology Data Exchange (ETDEWEB)

Powers, D A [Nuclear Regulatory Commission, Washington, DC (United States). Advisory Committee on Reactor Safeguards

1996-12-01

Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs.

Iodine chemistry in a reactor regulation

International Nuclear Information System (INIS)

Powers, D.A.

1996-01-01

Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs

Evaluating the efficacy of a chemistry video game

Science.gov (United States)

Shapiro, Marina

A quasi-experimental design pre-test/post-test intervention study utilizing a within group analysis was conducted with 45 undergraduate college chemistry students that investigated the effect of implementing a game-based learning environment into an undergraduate college chemistry course in order to learn if serious educational games (SEGs) can be used to achieve knowledge gains of complex chemistry concepts and to achieve increase in students' positive attitude toward chemistry. To evaluate if students learn chemistry concepts by participating in a chemistry game-based learning environment, a one-way repeated measures analysis of variance (ANOVA) was conducted across three time points (pre-test, post-test, delayed post-test which were chemistry content exams). Results showed that there was an increase in exam scores over time. The results of the ANOVA indicated a statistically significant time effect. To evaluate if students' attitude towards chemistry increased as a result of participating in a chemistry game-based learning environment a paired samples t-test was conducted using a chemistry attitudinal survey by Mahdi (2014) as the pre- and post-test. Results of the paired-samples t-test indicated that there was no significant difference in pre-attitudinal scores and post-attitudinal scores.

Healthy Gaming – Video Game Design to promote Health

Science.gov (United States)

Brox, E.; Fernandez-Luque, L.; Tøllefsen, T.

2011-01-01

Background There is an increasing interest in health games including simulation tools, games for specific conditions, persuasive games to promote a healthy life style or exergames where physical exercise is used to control the game. Objective The objective of the article is to review current literature about available health games and the impact related to game design principles as well as some educational theory aspects. Methods Literature from the big databases and known sites with games for health has been searched to find articles about games for health purposes. The focus has been on educational games, persuasive games and exergames as well as articles describing game design principles. Results The medical objectives can either be a part of the game theme (intrinsic) or be totally dispatched (extrinsic), and particularly persuasive games seem to use extrinsic game design. Peer support is important, but there is only limited research on multiplayer health games. Evaluation of health games can be both medical and technical, and the focus will depend on the game purpose. Conclusion There is still not enough evidence to conclude which design principles work for what purposes since most of the literature in health serious games does not specify design methodologies, but it seems that extrinsic methods work in persuasion. However, when designing health care games it is important to define both the target group and main objective, and then design a game accordingly using sound game design principles, but also utilizing design elements to enhance learning and persuasion. A collaboration with health professionals from an early design stage is necessary both to ensure that the content is valid and to have the game validated from a clinical viewpoint. Patients need to be involved, especially to improve usability. More research should be done on social aspects in health games, both related to learning and persuasion. PMID:23616865

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

Reaction Scale and Green Chemistry: Microscale or Macroscale, Which is Greener?

Science.gov (United States)

Duarte, Rita C. C.; Ribeiro, M. Gabriela T. C.; Machado, Adelio A. S. C.

2017-01-01

The different ways microscale and green chemistry allow reducing the deleterious impacts of chemistry on human health and the environment are discussed in terms of their different basic paradigms: green chemistry follows the ecologic paradigm and microscale the risk paradigm. A study of the synthesis of 1-bromobutane at macro- ? microscale (109.3…

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.

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

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…

Introducing Scientific Literature to Honors General Chemistry Students: Teaching Information Literacy and the Nature of Research to First-Year Chemistry Students

Science.gov (United States)

Ferrer-Vinent, Ignacio J.; Bruehl, Margaret; Pan, Denise; Jones, Galin L.

2015-01-01

This paper describes the methodology and implementation of a case study introducing the scientific literature and creative experiment design to honors general chemistry laboratory students. The purpose of this study is to determine whether first-year chemistry students can develop information literacy skills while they engage with the primary…

Project HealthDesign: enhancing action through information.

Science.gov (United States)

Brennan, Patricia Flatley; Casper, Gail; Downs, Stephen; Aulahk, Veenu

2009-01-01

Project HealthDesign is a country-wide initiative in the United States designed to stimulate innovation in personal health records (PHRs). Nine grantee teams engaged in an 18-month long design and prototyping process. Two teams addressed the needs of children and adolescents; three created novel approaches to help adults prevent or manage metabolic syndrome; three groups employed interface innovations to assist patients with chronic care management and one team devised a novel calendaring system to assist patients undergoing complex medical/surgical treatments to integrate care processes into their daily lives. These projects not only included development and testing of novel personal health records applications, but also served as the starting point to specify and implement a common technical core platform. The project advanced PHR development in two key ways: intensive user-centered design and a development architecture that separates applications of PHRs from the infrastructure that supports them. The initiative also allowed systematic investigation of significant ethical, legal and social issues, including how privacy considerations are changed when information technology innovations are used in the home and the rebalancing of the authority structure of health care decision making when patient-centered approaches guide the design of PHRs.

Synthesis of Ethyl Nalidixate: A Medicinal Chemistry Experiment

Science.gov (United States)

Leslie, Ray; Leeb, Elaine; Smith, Robert B.

2012-01-01

A series of laboratory experiments that complement a medicinal chemistry lecture course in drug design and development have been developed. The synthesis of ethyl nalidixate covers three separate experimental procedures, all of which can be completed in three, standard three-hour lab classes and incorporate aspects of green chemistry such as…

The Copenhagen Oral Health Senior Cohort: design, population and dental health

DEFF Research Database (Denmark)

Heegaard, Karen M; Holm-Pedersen, Poul; Jensen, Allan Bardow

2011-01-01

Gerodontology 2010; doi: 10.1111/j.1741-2358.2010.00383.x The Copenhagen Oral Health Senior Cohort: design, population and dental health Background: In order to study the way old age influence oral health, the Copenhagen Oral Health Senior Cohort (COHS) has been established. Objectives: To describe...

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

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

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

Probing the Question Order Effect While Developing a Chemistry Concept Inventory

Science.gov (United States)

Undersander, Molly A.; Lund, Travis J.; Langdon, Laurie S.; Stains, Marilyne

2017-01-01

The design of assessment tools is critical to accurately evaluate students' understanding of chemistry. Although extensive research has been conducted on various aspects of assessment tool design, few studies in chemistry have focused on the impact of the order in which questions are presented to students on the measurement of students'…

Thirteen textbooks of basic chemistry and their treatment of radioactivity

International Nuclear Information System (INIS)

Mueller, G.; Navarrete, M.; Martinez, T.; Cabrera, L.

2009-01-01

Nuclear chemistry is usually associated with great disasters, especially the atomic bomb; this without reflecting that knowledge of nuclear chemistry has also had many benefits in the field of medicine and health. Whereas in technologically advanced countries, nuclear chemistry is considered to be an important part of the syllabus, including topics such as radioactivity with the emphasis in making conscience in the common citizen of the inherent benefits. (author)

Chromium Chemistry in the Subsurface

Science.gov (United States)

Chromium (VI) (Cr) is carcinogenic and a threat to human and ecological health. There are adequate and acceptable methods to characterize and assess Cr contaminated sites. Cr chemistry in the environment is well understood. There are documented methods to address Cr contaminat...

Co-designing person-centred mental health care

DEFF Research Database (Denmark)

2016-01-01

Why should future mental health care be co-designed with users, and how do we do it? Based on our research we try yo answer these questions.......Why should future mental health care be co-designed with users, and how do we do it? Based on our research we try yo answer these questions....

Perspectives on the design of safer nanomaterials and manufacturing processes

International Nuclear Information System (INIS)

Geraci, Charles; Heidel, Donna; Sayes, Christie; Hodson, Laura; Schulte, Paul; Eastlake, Adrienne; Brenner, Sara

2015-01-01

A concerted effort is being made to insert Prevention through Design principles into discussions of sustainability, occupational safety and health, and green chemistry related to nanotechnology. Prevention through Design is a set of principles, which includes solutions to design out potential hazards in nanomanufacturing including the design of nanomaterials, and strategies to eliminate exposures and minimize risks that may be related to the manufacturing processes and equipment at various stages of the lifecycle of an engineered nanomaterial

Perspectives on the design of safer nanomaterials and manufacturing processes

Energy Technology Data Exchange (ETDEWEB)

Geraci, Charles [National Institute for Occupational Safety and Health (United States); Heidel, Donna [Bureau Veritas North America, Inc. (United States); Sayes, Christie [Baylor University (United States); Hodson, Laura, E-mail: lhodson@cdc.gov; Schulte, Paul; Eastlake, Adrienne [National Institute for Occupational Safety and Health (United States); Brenner, Sara [Colleges of Nanoscale Science and Engineering at State University of New York Polytechnic Institute, (SUNY Poly) (United States)

2015-09-15

A concerted effort is being made to insert Prevention through Design principles into discussions of sustainability, occupational safety and health, and green chemistry related to nanotechnology. Prevention through Design is a set of principles, which includes solutions to design out potential hazards in nanomanufacturing including the design of nanomaterials, and strategies to eliminate exposures and minimize risks that may be related to the manufacturing processes and equipment at various stages of the lifecycle of an engineered nanomaterial.

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

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.

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

Science.gov (United States)

Therrien, Eric; Englebienne, Pablo; Arrowsmith, Andrew G; Mendoza-Sanchez, Rodrigo; Corbeil, Christopher R; Weill, Nathanael; Campagna-Slater, Valérie; Moitessier, Nicolas

2012-01-23

As part of a large medicinal chemistry program, we wish to develop novel selective estrogen receptor modulators (SERMs) as potential breast cancer treatments using a combination of experimental and computational approaches. However, one of the remaining difficulties nowadays is to fully integrate computational (i.e., virtual, theoretical) and medicinal (i.e., experimental, intuitive) chemistry to take advantage of the full potential of both. For this purpose, we have developed a Web-based platform, Forecaster, and a number of programs (e.g., Prepare, React, Select) with the aim of combining computational chemistry and medicinal chemistry expertise to facilitate drug discovery and development and more specifically to integrate synthesis into computer-aided drug design. In our quest for potent SERMs, this platform was used to build virtual combinatorial libraries, filter and extract a highly diverse library from the NCI database, and dock them to the estrogen receptor (ER), with all of these steps being fully automated by computational chemists for use by medicinal chemists. As a result, virtual screening of a diverse library seeded with active compounds followed by a search for analogs yielded an enrichment factor of 129, with 98% of the seeded active compounds recovered, while the screening of a designed virtual combinatorial library including known actives yielded an area under the receiver operating characteristic (AU-ROC) of 0.78. The lead optimization proved less successful, further demonstrating the challenge to simulate structure activity relationship studies.

EPRI PWR primary water chemistry guidelines revision

International Nuclear Information System (INIS)

McElrath, Joel; Fruzzetti, Keith

2014-01-01

EPRI periodically updates the PWR Primary Water Chemistry Guidelines as new information becomes available and as required by NEI 97-06 (Steam Generator Program Guidelines) and NEI 03-08 (Guideline for the Management of Materials Issues). The last revision of the PWR water chemistry guidelines identified an optimum primary water chemistry program based on then-current understanding of research and field information. This new revision provides further details with regard to primary water stress corrosion cracking (PWSCC), fuel integrity, and shutdown dose rates. A committee of industry experts, including utility specialists, nuclear steam supply system (NSSS) and fuel vendor representatives, Institute of Nuclear Power Operations (INPO) representatives, consultants, and EPRI staff collaborated in reviewing the available data on primary water chemistry, reactor water coolant system materials issues, fuel integrity and performance issues, and radiation dose rate issues. From the data, the committee updated the water chemistry guidelines that all PWR nuclear plants should adopt. The committee revised guidance with regard to optimization to reflect industry experience gained since the publication of Revision 6. Among the changes, the technical information regarding the impact of zinc injection on PWSCC initiation and dose rate reduction has been updated to reflect the current level of knowledge within the industry. Similarly, industry experience with elevated lithium concentrations with regard to fuel performance and radiation dose rates has been updated to reflect data collected to date. Recognizing that each nuclear plant owner has a unique set of design, operating, and corporate concerns, the guidelines committee has retained a method for plant-specific optimization. Revision 7 of the Pressurized Water Reactor Primary Water Chemistry Guidelines provides guidance for PWR primary systems of all manufacture and design. The guidelines continue to emphasize plant

Antibodies, synthetic peptides and related constructs for planetary health based on green chemistry in the Anthropocene.

Science.gov (United States)

C Caoili, Salvador Eugenio

2018-03-01

The contemporary Anthropocene is characterized by rapidly evolving complex global challenges to planetary health vis-a-vis sustainable development, yet innovation is constrained under the prevailing precautionary regime that regulates technological change. Small-molecule xenobiotic drugs are amenable to efficient large-scale industrial synthesis; but their pharmacokinetics, pharmacodynamics, interactions and ultimate ecological impact are difficult to predict, raising concerns over initial testing and environmental contamination. Antibodies and similar agents can serve as antidotes and drug buffers or vehicles to address patient safety and decrease dosing requirements. More generally, peptidic agents including synthetic peptide-based constructs exemplified by vaccines can be used together with or instead of nonpeptidic xenobiotics, thus enabling advances in planetary health based on principles of green chemistry from manufacturing through final disposition.

Computer assisted instruction in the general chemistry laboratory

Science.gov (United States)

Pate, Jerry C.

This dissertation examines current applications concerning the use of computer technology to enhance instruction in the general chemistry laboratory. The dissertation critiques widely-used educational software, and explores examples of multimedia presentations such as those used in beginning chemistry laboratory courses at undergraduate and community colleges. The dissertation describes a prototype compact disc (CD) used to (a) introduce the general chemistry laboratory, (b) familiarize students with using chemistry laboratory equipment, (c) introduce laboratory safety practices, and (d) provide approved techniques for maintaining a laboratory notebook. Upon completing the CD portion of the pre-lab, students are linked to individual self-help (WebCT) quizzes covering the information provided on the CD. The CD is designed to improve student understanding of basic concepts, techniques, and procedures used in the general chemistry laboratory.

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)

Office design and health: a systematic review.

Science.gov (United States)

Richardson, Ann; Potter, John; Paterson, Margaret; Harding, Thomas; Tyler-Merrick, Gaye; Kirk, Ray; Reid, Kate; McChesney, Jane

2017-12-15

To carry out a systematic review of recent research into the effects of workplace design, comparing individual with shared workspaces, on the health of employees. The research question was "Does workplace design (specifically individual offices compared with shared workspaces) affect the health of workers?" A literature search limited to articles published between 2000 and 2017 was undertaken. A systematic review was carried out, and the findings of the reviewed studies grouped into themes according to the primary outcomes measured in the studies. The literature search identified 15 relevant studies addressing health effects of shared or open-plan offices compared with individual offices. Our systematic review found that, compared with individual offices, shared or open-plan office space is not beneficial to employees' health, with consistent findings of deleterious effects on staff health, wellbeing and productivity. Our findings are also consistent with those of earlier reviews. These findings have public health implications for the New Zealand workforce. Decisions about workplace design should include weighing the short-term financial benefits of open-plan or shared workspaces against the significant harms, including increased sickness absence, lower job satisfaction and productivity, and possible threats to recruitment and retention of staff.

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...

Leveraging design thinking to build sustainable mobile health systems.

Science.gov (United States)

Eckman, Molly; Gorski, Irena; Mehta, Khanjan

Mobile health, or mHealth, technology has the potential to improve health care access in the developing world. However, the majority of mHealth projects do not expand beyond the pilot stage. A core reason why is because they do not account for the individual needs and wants of those involved. A collaborative approach is needed to integrate the perspectives of all stakeholders into the design and operation of mHealth endeavours. Design thinking is a methodology used to develop and evaluate novel concepts for systems. With roots in participatory processes and self-determined pathways, design thinking provides a compelling framework to understand and apply the needs of diverse stakeholders to mHealth project development through a highly iterative process. The methodology presented in this article provides a structured approach to apply design thinking principles to assess the feasibility of novel mHealth endeavours during early conceptualisation.

Progress report 1981-1982. Reactor Chemistry Department

International Nuclear Information System (INIS)

1983-08-01

Review of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission of Argentina during 1981-1982. 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. During this period, the following tasks were performed: study of the metallic oxide-water interphases; determination of the goethite and magnetite surficial charges; synthesis of the monodispersed nickel ferrites; study of the iron oxides dissolution mechanism in presence of different complexing agents; chemical decontamination of structural metals; thermodynamics of the water-nitrogen system; physico-chemical studies of aqueous solutions at high temperatures; hydrothermal decomposition of ionic exchange resines and study of the equilibria of the anionic exchange for the chemistry of pressurized reactor's primary loops. The appendix includes information on the Reactor Chemistry Department staff, its publications, services, seminars, courses and conferences performed during 1981-1982. (R.J.S.) [es

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

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.

Pre-Service Physics and Chemistry Teachers' Conceptual Integration of Physics and Chemistry Concepts

Science.gov (United States)

Tuysuz, Mustafa; Bektas, Oktay; Geban, Omer; Ozturk, Gokhan; Yalvac, Bugrahan

2016-01-01

This study examines the pre-service teachers' opinions about conceptual integration (CI) and their understanding of it. A qualitative phenomenology design was used in the study. Data was collected through in-depth semi-structured interviews comprising ten guiding questions. Three pre-service physics and three pre-service chemistry teachers…

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

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-.

Peering through the mist: systematic review of what the chemistry of contaminants in electronic cigarettes tells us about health risks.

Science.gov (United States)

Burstyn, Igor

2014-01-09

Electronic cigarettes (e-cigarettes) are generally recognized as a safer alternative to combusted tobacco products, but there are conflicting claims about the degree to which these products warrant concern for the health of the vapers (e-cigarette users). This paper reviews available data on chemistry of aerosols and liquids of electronic cigarettes and compares modeled exposure of vapers with occupational safety standards. Both peer-reviewed and "grey" literature were accessed and more than 9,000 observations of highly variable quality were extracted. Comparisons to the most universally recognized workplace exposure standards, Threshold Limit Values (TLVs), were conducted under "worst case" assumptions about both chemical content of aerosol and liquids as well as behavior of vapers. There was no evidence of potential for exposures of e-cigarette users to contaminants that are associated with risk to health at a level that would warrant attention if it were an involuntary workplace exposures. The vast majority of predicted exposures are knowledge about chemistry of liquids and aerosols associated with electronic cigarettes indicates that there is no evidence that vaping produces inhalable exposures to contaminants of the aerosol that would warrant health concerns by the standards that are used to ensure safety of workplaces. However, the aerosol generated during vaping as a whole (contaminants plus declared ingredients) creates personal exposures that would justify surveillance of health among exposed persons in conjunction with investigation of means to keep any adverse health effects as low as reasonably achievable. Exposures of bystanders are likely to be orders of magnitude less, and thus pose no apparent concern.

Predicting steam generator crevice chemistry

International Nuclear Information System (INIS)

Burton, G.; Strati, G.

2006-01-01

'Full text:' Corrosion of steam cycle components produces insoluble material, mostly iron oxides, that are transported to the steam generator (SG) via the feedwater and deposited on internal surfaces such as the tubes, tube support plates and the tubesheet. The build up of these corrosion products over time can lead to regions of restricted flow with water chemistry that may be significantly different, and potentially more corrosive to SG tube material, than the bulk steam generator water chemistry. The aim of the present work is to predict SG crevice chemistry using experimentation and modelling as part of AECL's overall strategy for steam generator life management. Hideout-return experiments are performed under CANDU steam generator conditions to assess the accumulation of impurities in hideout, and return from, model crevices. The results are used to validate the ChemSolv model that predicts steam generator crevice impurity concentrations, and high temperature pH, based on process parameters (e.g., heat flux, primary side temperature) and blowdown water chemistry. The model has been incorporated into ChemAND, AECL's system health monitoring software for chemistry monitoring, analysis and diagnostics that has been installed at two domestic and one international CANDU station. ChemAND provides the station chemists with the only method to predict SG crevice chemistry. In one recent application, the software has been used to evaluate the crevice chemistry based on the elevated, but balanced, SG bulk water impurity concentrations present during reactor startup, in order to reduce hold times. The present paper will describe recent hideout-return experiments that are used for the validation of the ChemSolv model, station experience using the software, and improvements to predict the crevice electrochemical potential that will permit station staff to ensure that the SG tubes are in the 'safe operating zone' predicted by Lu (AECL). (author)

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.

Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course

Science.gov (United States)

Yuriev, Elizabeth; Chalmers, David; Capuano, Ben

2009-01-01

Medicinal chemistry is a specialized, scientific discipline. Computational chemistry and structure-based drug design constitute important themes in the education of medicinal chemists. This problem-based task is associated with structure-based drug design lectures. It requires students to use computational techniques to investigate conformational…

Coupling between water chemistry and thermal output at unsaturated repositories

International Nuclear Information System (INIS)

Walton, J.; LeMone, D.; Casey, D.

1995-01-01

This paper summarizes issues in predicting thermohydrology in the near field of a deep geological repository and the implications for performance assessment. Predicted thermohydrology depends on waste package design, and particularly on backfill materials. The coupling between solute concentrations and thermal gradients leads to a prediction of highly variable water chemistry in the near field which is radically different than the initial, undisturbed water chemistry; however, most analyses to date assume that waste package chemistry is approximately the same as initial pore water chemistry. Several alternative, simplified approaches for performance assessment are discussed

Transition metal chemistry of hydroxy(–OH)-rich molecules ...

Indian Academy of Sciences (India)

Administrator

Appropriately designed hydroxy(–OH) containing Schiff's base and Mannich base molecules have been recently found to be important for development of the coordination chemistry of a number of metal ions in the biomimetic chemistry of metalloenzymes. In this context, our group has studied the coordination role of these ...

Scenario-based design: a method for connecting information system design with public health operations and emergency management.

Science.gov (United States)

Reeder, Blaine; Turner, Anne M

2011-12-01

Responding to public health emergencies requires rapid and accurate assessment of workforce availability under adverse and changing circumstances. However, public health information systems to support resource management during both routine and emergency operations are currently lacking. We applied scenario-based design as an approach to engage public health practitioners in the creation and validation of an information design to support routine and emergency public health activities. Using semi-structured interviews we identified the information needs and activities of senior public health managers of a large municipal health department during routine and emergency operations. Interview analysis identified 25 information needs for public health operations management. The identified information needs were used in conjunction with scenario-based design to create 25 scenarios of use and a public health manager persona. Scenarios of use and persona were validated and modified based on follow-up surveys with study participants. Scenarios were used to test and gain feedback on a pilot information system. The method of scenario-based design was applied to represent the resource management needs of senior-level public health managers under routine and disaster settings. Scenario-based design can be a useful tool for engaging public health practitioners in the design process and to validate an information system design. Copyright © 2011 Elsevier Inc. All rights reserved.

Green chemistry measures for process research and development

Energy Technology Data Exchange (ETDEWEB)

Constable, D.J.C.; Curzons, A.D.; Freitas dos Santos, L.M. (and others)

2001-07-01

A set of metrics has been developed which enables a simple assessment to be made of batch processes in terms of waste, energy usage, and chemistry efficiency. It is intended to raise awareness of green chemistry by providing a tool to assist chemists in monitoring progress in the reduction of environmental impact as they design new routes and modify processes. (author)

Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

Science.gov (United States)

Barbera, Jack

2007-12-01

This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student

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)

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...

What Do Conceptual Holes in Assessment Say about the Topics We Teach in General Chemistry?

Science.gov (United States)

Luxford, Cynthia J.; Holme, Thomas A.

2015-01-01

Introductory chemistry has long been considered a service course by various departments that entrust chemistry departments with teaching their students. As a result, most introductory courses include a majority of students who are not chemistry majors, and many are health and science related majors who are required to take chemistry. To identify…

Chemistry and physics of fogwater collection. Final report

Energy Technology Data Exchange (ETDEWEB)

Jaeschke, W.; Enderle, K.H. (eds.)

1988-01-01

Increasing interest in the problems of air pollution and source receptor relationships has led to a significant expansion of knowledge in the field of atmospheric chemistry. In recent years the multiphase atmospheric chemistry was given great scholarly attention, and slogans like acid precipitation, dirty cloud or killer fog indicated these phenomena. The report describes results of collection and chemical analysis of fog water with emphasis or fog microphysics, of the heterogeneous atmospheric chemistry project in the Po-valley, of the development of the Great Dun Fell project, of the mountain cloud chemistry project in eastern U.S., of the design of fog water collectors and of the numerical study of the radiation fog event on October 10/11, 1982 in Albany, N.Y.

Mainstream Smoke Chemistry and in Vitro and In Vivo Toxicity of the Reference Cigarettes 3R4F and 2R4F

Directory of Open Access Journals (Sweden)

Roemer E

2014-12-01

Full Text Available A new reference cigarette, the 3R4F, has been developed to replace the depleting supply of the 2R4F cigarette. The present study was designed to compare mainstream smoke chemistry and toxicity of the two reference cigarettes under the International Organization for Standardization (ISO machine smoking conditions, and to further compare mainstream smoke chemistry and toxicological activity of the 3R4F cigarette by two different smoking regimens, i.e., the machine smoking conditions specified by ISO and the Health Canada intensive (HCI smoking conditions.

The Medicinal Chemistry of Dengue Virus.

Science.gov (United States)

Behnam, Mira A M; Nitsche, Christoph; Boldescu, Veaceslav; Klein, Christian D

2016-06-23

The dengue virus and related flaviviruses are an increasing global health threat. In this perspective, we comment on and review medicinal chemistry efforts aimed at the prevention or treatment of dengue infections. We include target-based approaches aimed at viral or host factors and results from phenotypic screenings in cellular assay systems for viral replication. This perspective is limited to the discussion of results that provide explicit chemistry or structure-activity relationship (SAR), or appear to be of particular interest to the medicinal chemist for other reasons. The discovery and development efforts discussed here may at least partially be extrapolated toward other emerging flaviviral infections, such as West Nile virus. Therefore, this perspective, although not aimed at flaviviruses in general, should also be able to provide an overview of the medicinal chemistry of these closely related infectious agents.

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

Investigating the Impact of Adding an Environmental Focus to a Developmental Chemistry Course

Science.gov (United States)

Robelia, Beth; McNeill, Kristopher; Wammer, Kristine; Lawrenz, Frances

2010-01-01

This study explores how adding environmental perspectives to a developmental chemistry course affected student learning of both general chemistry and environmental chemistry concepts. In addition to measuring learning changes, changes in students' environmental attitudes and behaviors were also measured. A pretest-posttest design measured…

Measuring meaningful learning in the undergraduate chemistry laboratory

Science.gov (United States)

Galloway, Kelli R.

The undergraduate chemistry laboratory has been an essential component in chemistry education for over a century. The literature includes reports on investigations of singular aspects laboratory learning and attempts to measure the efficacy of reformed laboratory curriculum as well as faculty goals for laboratory learning which found common goals among instructors for students to learn laboratory skills, techniques, experimental design, and to develop critical thinking skills. These findings are important for improving teaching and learning in the undergraduate chemistry laboratory, but research is needed to connect the faculty goals to student perceptions. This study was designed to explore students' ideas about learning in the undergraduate chemistry laboratory. Novak's Theory of Meaningful Learning was used as a guide for the data collection and analysis choices for this research. Novak's theory states that in order for meaningful learning to occur the cognitive, affective, and psychomotor domains must be integrated. The psychomotor domain is inherent in the chemistry laboratory, but the extent to which the cognitive and affective domains are integrated is unknown. For meaningful learning to occur in the laboratory, students must actively integrate both the cognitive domain and the affective domains into the "doing" of their laboratory work. The Meaningful Learning in the Laboratory Instrument (MLLI) was designed to measure students' cognitive and affective expectations and experiences within the context of conducting experiments in the undergraduate chemistry laboratory. Evidence for the validity and reliability of the data generated by the MLLI were collected from multiple quantitative studies: a one semester study at one university, a one semester study at 15 colleges and universities across the United States, and a longitudinal study where the MLLI was administered 6 times during two years of general and organic chemistry laboratory courses. Results from

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)

Radioanalytical Chemistry for Automated Nuclear Waste Process Monitoring

International Nuclear Information System (INIS)

Egorov, Oleg B.; Grate, Jay W.; DeVol, Timothy A.

2004-01-01

This research program is directed toward rapid, sensitive, and selective determination of beta and alpha-emitting radionuclides such as 99Tc, 90Sr, and trans-uranium (TRU) elements in low activity waste (LAW) processing streams. The overall technical approach is based on automated radiochemical measurement principles, which entails integration of sample treatment and separation chemistries and radiometric detection within a single functional analytical instrument. Nuclear waste process streams are particularly challenging for rapid analytical methods due to the complex, high-ionic-strength, caustic brine sample matrix, the presence of interfering radionuclides, and the variable and uncertain speciation of the radionuclides of interest. As a result, matrix modification, speciation control, and separation chemistries are required for use in automated process analyzers. Significant knowledge gaps exist relative to the design of chemistries for such analyzers so that radionuclides can be quantitatively and rapidly separated and analyzed in solutions derived from low-activity waste processing operations. This research is addressing these knowledge gaps in the area of separation science, nuclear detection, and analytical chemistry and instrumentation. The outcome of these investigations will be the knowledge necessary to choose appropriate chemistries for sample matrix modification and analyte speciation control and chemistries for rapid and selective separation and preconcentration of target radionuclides from complex sample matrices. In addition, new approaches for quantification of alpha emitters in solution using solid-state diode detectors, as well as improved instrumentation and signal processing techniques for use with solid-state and scintillation detectors, will be developed. New knowledge of the performance of separation materials, matrix modification and speciation control chemistries, instrument configurations, and quantitative analytical approaches will

Using conceptual work products of health care to design health IT.

Science.gov (United States)

Berry, Andrew B L; Butler, Keith A; Harrington, Craig; Braxton, Melissa O; Walker, Amy J; Pete, Nikki; Johnson, Trevor; Oberle, Mark W; Haselkorn, Jodie; Paul Nichol, W; Haselkorn, Mark

2016-02-01

This paper introduces a new, model-based design method for interactive health information technology (IT) systems. This method extends workflow models with models of conceptual work products. When the health care work being modeled is substantially cognitive, tacit, and complex in nature, graphical workflow models can become too complex to be useful to designers. Conceptual models complement and simplify workflows by providing an explicit specification for the information product they must produce. We illustrate how conceptual work products can be modeled using standard software modeling language, which allows them to provide fundamental requirements for what the workflow must accomplish and the information that a new system should provide. Developers can use these specifications to envision how health IT could enable an effective cognitive strategy as a workflow with precise information requirements. We illustrate the new method with a study conducted in an outpatient multiple sclerosis (MS) clinic. This study shows specifically how the different phases of the method can be carried out, how the method allows for iteration across phases, and how the method generated a health IT design for case management of MS that is efficient and easy to use. Copyright © 2015 Elsevier Inc. All rights reserved.

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.)

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...

Environmental literacy with green chemistry oriented in 21st century learning

Science.gov (United States)

Mitarlis, Ibnu, Suhadi; Rahayu, Sri; Sutrisno

2017-12-01

The aim of this study is to analyze the design of chemistry subject with green chemistry oriented to improve students' environmental literacy as one of the important requirements of 21st century learning. This research used R&D design which consisted of four stages, i.e. preliminary study, the study of literature, development of materials, and expert and empirical validation. This article presents the results of preliminary study and the study of literature. It can be concluded from the results of an analysis that environmental literacy is one of the important components of learning outcomes which should be pursued in 21st century teaching. Philosophy of green chemistry plays an important role to reduce and prevent pollution of environment. Principles of green chemistry can be integrated into learning environment as learning outcomes or nurturant effects of learning.

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 ...

Closed cooling water chemistry guidelines revision

International Nuclear Information System (INIS)

McElrath, Joel; Breckenridge, Richard

2014-01-01

This second revision of the Closed Cooling Water Chemistry Guideline addresses the use of chemicals and monitoring methods to mitigate corrosion, fouling, and microbiological growth in the closed cooling-water (CCW) systems of nuclear and fossil-fueled power plants. This revision has been endorsed by the utility chemistry community and represents another step in developing a more proactive chemistry program to limit or control closed cooling system degradation with increased consideration of corporate resources and plant-specific design and operating concerns. These guidelines were developed using laboratory data, operating experience, and input from organizations and utilities within and outside of the United States of America. It is the intent of the Revision Committee that these guidelines are applicable to all nuclear and fossil-fueled generating stations around the world. A committee of industry experts—including utility specialists, Institute of Nuclear Power Operations representatives, water-treatment service-company representatives, consultants, a primary contractor, and EPRI staff—collaborated in reviewing available data on closed cooling-water system corrosion and microbiological issues. Recognizing that each plant owner has a unique set of design, operating, and corporate concerns, the Guidelines Committee developed a methodology for plant-specific optimization. The guideline provides the technical basis for a reasonable but conservative set of chemical treatment and monitoring programs. The use of operating ranges for the various treatment chemicals discussed in this guideline will allow a power plant to limit corrosion, fouling, and microbiological growth in CCW systems to acceptable levels. The guideline now includes closed cooling chemistry regimes proven successful in use in the international community. The guideline provides chemistry constraints for the use of phosphates control, as well as pure water with pH control. (author)

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.

Organic Chemistry Trivia: A Way to Interest Nonchemistry Majors

Science.gov (United States)

Farmer, Steven C.

2011-01-01

The use of in-class stories is an excellent way to keep a class interested in subject matter. Many organic chemistry classes are populated by nonchemistry majors, such as pre-med, pre-pharm, and biology students. Trivia questions are presented that are designed to show how organic chemistry is an important subject to students regardless of their…

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.

Chemistry and radioactivity: a century after Marie Curie

International Nuclear Information System (INIS)

Guillaumont, R.

2011-01-01

Coupling chemistry and radioactivity has led to radiochemistry, the part of chemistry dealing with the behaviour of radioactive materials. Many activities are of concern, as well in basic research as in the fields of health and energy. They call researches going from the study of the extremely diluted radioactive material (environment) until that of the most man-made radioactive material ever produced (spent nuclear fuel from reactors). When radiochemistry is not the mirror of the traditional chemistry, it uses in radioactive surroundings its own methods based on the measurement of the emitted rays. Radiochemistry will have in the next decades a major input to prepare the nuclear energy of the future. (author)

Forefront of PUREX system engineering. Chemistry and engineering of ruthenium, technetium and neptunium

International Nuclear Information System (INIS)

2004-07-01

The paper reports the activity of the research committee organized by the Atomic Energy Society of Japan on 'Ruthenium and Technetium Chemistry in the PUREX System', with focusing on basic behaviors of ruthenium, technetium and neptunium in the PUREX process, the principles of plant design, and behaviors during the final waste treatment. The scope of the work includes the following major topics: (1) basic solution and solid-state chemistry; (2) basic solution and solid-state chemistry of minor actinides in particular, Np; (3) partitioning chemistry in the PUREX system and environmental behavior of the components; (4) processes of recovery, purification, and utilization of rare metal fission products; (5) field data on plant design, operation, decontamination, and decommissioning; (6) numerical process simulations and process control technologies; (7) compilation of a data base for process chemistry and plant engineering. (S. Ohno)

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.

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 ...

Radioanalytical Chemistry for Automated Nuclear Waste Process Monitoring

International Nuclear Information System (INIS)

Egorov, Oleg B.; Grate, Jay W.; DeVol, Timothy A.

2003-01-01

This research program is directed toward rapid, sensitive, and selective determination of beta and alpha-emitting radionuclides such as 99Tc, 90Sr, and trans-uranium (TRU) elements in low activity waste (LAW) processing streams. The overall technical approach is based on automated radiochemical measurement principles. Nuclear waste process streams are particularly challenging for rapid analytical methods due to the complex, high- ionic-strength, caustic brine sample matrix, the presence of interfering radionuclides, and the variable and uncertain speciation of the radionuclides of interest. As a result, matrix modification, speciation control, and separation chemistries are required for use in automated process analyzers. Significant knowledge gaps exist relative to the design of chemistries for such analyzers so that radionuclides can be quantitatively and rapidly separated and analyzed in solutions derived from low-activity waste processing operations. This research is addressing these knowledge gaps in the area of separation science, nuclear detection, and analytical chemistry and instrumentation. The outcome of these investigations will be the knowledge necessary to choose appropriate chemistries for sample matrix modification and analyte speciation control and chemistries for rapid and selective separation and preconcentration of target radionuclides from complex sample matrices. In addition, new approaches for quantification of alpha emitters in solution using solid state diode detectors, as well as improved instrumentation and signal processing techniques for use with solid-state and scintillation detectors, will be developed. New knowledge of the performance of separation materials, matrix modification and speciation control chemistries, instrument configurations, and quantitative analytical approaches will provide the basis for designing effective instrumentation for radioanalytical process monitoring. Specific analytical targets include 99 Tc, 90Sr and

One Health-ness Evaluation of Cysticercosis Surveillance Design in Portugal

Directory of Open Access Journals (Sweden)

Ana Gloria Fonseca

2018-03-01

Full Text Available The increasing occurrence of human cysticercosis, a zoonotic neglected disease, is challenging the traditional prevention and control paradigm and calling for One Health (OH solutions in industrialized countries. OH solutions for health interventions are increasingly being used to capture expected and unexpected outcomes across people, animals, and the environment. The Network for Evaluation of One Health (NEOH proposes an evidence-based framework, relying on systems and mixed methods approaches to evaluate the One Health-ness. In this case study, this tool is used to evaluate the design of the Observatory of Taeniasis and Cysticercosis, as an example of intersectorial collaboration for surveillance in Portugal. The OH Initiative (drivers and expected outcomes and its system (boundaries, aim, dimensions, actors, and stakeholders were described. The different aspects of this Initiative were scored with values from 0 (=no OH approach to 1 (=perfect OH approach. The OH index was 0.31. Its OH ratio is 1.98. Overall scores were as follows: OH thinking 0.75; OH planning 0.60; OH working 0.60; OH sharing 0.35; OH learning 0.50; and systemic organization 0.50. Operational levels of the Initiative are the main strengths, indicating a comprehensive multidimensional innovative approach and transdisciplinarity. Critical issues in the supporting infrastructure were observed, related to communication, learning and organizational gaps in the project, with the evaluation being conducted as the project is being designed and implemented. The strengths and weaknesses detected may be used to refine the Initiative. This case study therefore exemplifies and supports OH assessment also for ongoing projects, at design and early implementation stages for guiding and guaranteeing an OH-oriented perspective.

Evaluation of computer-based learning material for food chemistry education

NARCIS (Netherlands)

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

2005-01-01

Digital exercises were designed and developed for food chemistry education. During the design process, design requirements were described for such exercises. The exercises were evaluated in three case studies, firstly to determine whether the exercises satisfy the design requirements with respect to

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

Teacher's Guide to SERAPHIM Software V. Chemistry: The Central Science.

Science.gov (United States)

Bogner, Donna J.

Designed to assist chemistry teachers in selecting appropriate software programs, this publication is the fifth in a series of six teacher's guides from Project SERAPHIM, a program sponsored by the National Science Foundation. This guide is keyed to the chapters of the text "Chemistry: The Central Science." Program suggestions are…

Practicing What We Preach: Assessing "Critical Thinking" in Organic Chemistry

Science.gov (United States)

Stowe, Ryan L.; Cooper, Melanie M.

2017-01-01

Organic chemistry is often promoted as a course designed to cultivate skill in scientific "ways of thinking." Expert organic chemists perceive their field as one in which plausible answers to complex questions are arrived at through analytical thought processes. They draw analogy between problem solving in organic chemistry and diagnosis…

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.

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

BWR plant chemistry control has close relationships among nuclear safety, component reliability, radiation field management and fuel integrity. Advanced technology is required to improve chemistry control [1,3,6,7,10,11]. Toshiba has developed TACMAN (Toshiba Advanced Chemistry Management system) to support BWR chemistry control. The TACMAN has been developed as response to utilities' years of requirements to keep plant operation safety, reliability and cost benefit. The advanced technology built into the TACMAN allows utilities to make efficient chemistry control and to keep cost benefit. TACMAN is currently being used in response to the needs for tools those plant chemists and engineers could use to optimize and identify plant chemistry conditions continuously. If an incipient condition or anomaly is detected at early stage, root causes evaluation and immediate countermeasures can be provided. Especially, the expert system brings numerous and competitive advantages not only to improve plant chemistry reliability but also to standardize and systematize know-how, empirical knowledge and technologies in BWR chemistry This paper shows detail functions of TACMAN and practical results to evaluate actual plant. (authors)

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...

Chemistry for sustainable development in Africa

Energy Technology Data Exchange (ETDEWEB)

Gurib-Fakim, Ameenah [Mauritius Univ., Reduit (Mauritius); Eloff, Jacobus Nicolaas (eds.) [Pretoria Univ. (South Africa). Faculty of Veterinary Science

2013-07-01

Chemistry for Sustainable Development in Africa' gives an insight into current Chemical research in Africa. It is edited and written by distinguished African scientists and includes contributions from Chemists from Northern, Southern, Western, Eastern, Central and Island state African Countries. The core themes embrace the most pressing issues of our time, including Environmental Chemistry, Renewable Energies, Health and Human Well-Being, Food and Nutrition, and Bioprospecting and Commercial Development. This book is invaluable for teaching and research institutes in Africa and worldwide, private sector entities dealing with natural products from Africa, as well as policy and decision-making bodies and non-governmental organizations.

Using Participatory Design to design and develop mHealth for women with osteoporosis

DEFF Research Database (Denmark)

Jakobsen, Pernille; Kock Wiil, Uffe; Søndergaard, Jens

2017-01-01

and sick, and the women should be aided in learning to live with osteoporosis and how to prevent fractures (2). The effects of mHealth on self-care and self-management appear to be promising (3). Involvement of users in health care research is important, especially when developing new technologies...... The design and development of mHealth is based on a participatory design process. In the first phase, needs among the users are identified using qualitative methods as participant observations (10 hours), semi structured interviews (n=17) and focus groups (n=3). In the second phase, ideas and concepts...

Water chemistry and behavior of materials in PWRs and BWRs

Energy Technology Data Exchange (ETDEWEB)

Aaltonen, P; Hanninen, H [VTT Manufacturing Technology, Espoo (Finland)

1997-09-01

Water chemistry plays a major role in corrosion and in activity transport in NPP`s. Although a full understanding of all mechanisms involved in corrosion does not exist, controlling of the water chemistry has achieved good results in recent years. Water chemistry impacts upon the operational safety of LWR`s in two main ways: integrity of pressure boundary materials and, activity transport and out-of-core radiation fields. This paper will describe application of water chemistry control in operating reactors to prevent corrosion. Some problems experienced in LWR`s will be reviewed for the design of the nuclear heating reactors (NHR). (author). 18 refs, 10 figs, 5 tabs.

Water chemistry and behavior of materials in PWRs and BWRs

International Nuclear Information System (INIS)

Aaltonen, P.; Hanninen, H.

1997-01-01

Water chemistry plays a major role in corrosion and in activity transport in NPP's. Although a full understanding of all mechanisms involved in corrosion does not exist, controlling of the water chemistry has achieved good results in recent years. Water chemistry impacts upon the operational safety of LWR's in two main ways: integrity of pressure boundary materials and, activity transport and out-of-core radiation fields. This paper will describe application of water chemistry control in operating reactors to prevent corrosion. Some problems experienced in LWR's will be reviewed for the design of the nuclear heating reactors (NHR). (author). 18 refs, 10 figs, 5 tabs

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...

Front end design of smartphone-based mobile health

Science.gov (United States)

Zhang, Changfan; He, Lingsong; Gao, Zhiqiang; Ling, Cong; Du, Jianhao

2015-02-01

Mobile health has been a new trend all over the world with the rapid development of intelligent terminals and mobile internet. It can help patients monitor health in-house and is convenient for doctors to diagnose remotely. Smart-phone-based mobile health has big advantages in cost and data sharing. Front end design of it mainly focuses on two points: one is implementation of medical sensors aimed at measuring kinds of medical signal; another is acquisition of medical signal from sensors to smart phone. In this paper, the above two aspects were both discussed. First, medical sensor implementation was proposed to refer to mature measurement solutions with ECG (electrocardiograph) sensor design taken for example. And integrated chip using can simplify design. Then second, typical data acquisition architecture of smart phones, namely Bluetooth and MIC (microphone)-based architecture, were compared. Bluetooth architecture should be equipped with an acquisition card; MIC design uses sound card of smart phone instead. Smartphone-based virtual instrument app design corresponding to above acquisition architecture was discussed. In experiments, Bluetooth and MIC architecture were used to acquire blood pressure and ECG data respectively. The results showed that Bluetooth design can guarantee high accuracy during the acquisition and transmission process, and MIC design is competitive because of low cost and convenience.

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…

Workplace design contributions to mental health and well-being.

Science.gov (United States)

Veitch, Jennifer A

2011-01-01

People spend much of their waking time in their workplaces (approximately 33% on a weekly basis), which raises the possibility that the conditions they experience at work influence their health and well-being. The workplace design literature has given scant attention to mental health outcomes, instead focusing on healthy populations. Conversely, the mental health literature gives scant attention to the potential contribution of workplace design in preventing mental health problems; nor does it provide much insight into facilitating return to work. Taken together, however, the literature does suggest both lines of research and possible interventions. Existing knowledge proposes that workplace design can influence mental health via the effects of light exposure on circadian regulation, social behaviour and affect; the effects of aesthetic judgement on at-work mood and physical well-being and at-home sleep quality; access to nature and recovery from stressful experiences; and privacy regulation and stimulus control. This paper includes a short review of the literature in this area, proposals for new research directions and consideration of the implications of this information on the design choices made by business owners, designers and facility managers. Providing suitable working conditions for all employees avoids stigmatizing employees who have mental health problems, while facilitating prevention and return to work among those who do. Copyright © 2011 Longwoods Publishing.

A framework for teaching scientific inquiry in upper secondary school chemistry

NARCIS (Netherlands)

van Rens, L.; Pilot, A.; van der Schee, J.A.

2010-01-01

A framework for teaching scientific inquiry in upper secondary chemistry education was constructed in a design research consisting of two research cycles. First, in a pilot study a hypothetical framework was enriched in collaboration with five chemistry teachers. Second, a main study in this

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.

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Structural Chemistry of Human RNA Methyltransferases.

Science.gov (United States)

Schapira, Matthieu

2016-03-18

RNA methyltransferases (RNMTs) play important roles in RNA stability, splicing, and epigenetic mechanisms. They constitute a promising target class that is underexplored by the medicinal chemistry community. Information of relevance to drug design can be extracted from the rich structural coverage of human RNMTs. In this work, the structural chemistry of this protein family is analyzed in depth. Unlike most methyltransferases, RNMTs generally feature a substrate-binding site that is largely open on the cofactor-binding pocket, favoring the design of bisubstrate inhibitors. Substrate purine or pyrimidines are often sandwiched between hydrophobic walls that can accommodate planar ring systems. When the substrate base is laying on a shallow surface, a 5' flanking base is sometimes anchored in a druggable cavity. The cofactor-binding site is structurally more diverse than in protein methyltransferases and more druggable in SPOUT than in Rossman-fold enzymes. Finally, conformational plasticity observed both at the substrate and cofactor binding sites may be a challenge for structure-based drug design. The landscape drawn here may inform ongoing efforts toward the discovery of the first human RNMT inhibitors.

The Brazilian medicinal chemistry from 1998 to 2008 in the Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry [A química medicinal brasileira de 1998 a 2008 nos periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry

OpenAIRE

Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto

2009-01-01

In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.

Development of High Temperature Chemistry Measurement System for Establishment of On-Line Water Chemistry Surveillance Network in Nuclear Power Plant

International Nuclear Information System (INIS)

Yeon, Jei Won; Kim, Won Ho; Song, Kyu Seok; Joo, Ki Soo; Choi, Ke Chon; Ha, Yeong Keong; Ahn, Hong Joo; Im, Hee Jung; Maeng, Wan Young

2010-07-01

An integrated high-temperature water chemistry sensor (pH, E redox ) was developed for the establishment of the on-line water chemistry surveillance system in nuclear power plants. The basic performance of the integrated sensor was confirmed in high-temperature (280 .deg. C, 150kg/m 2 ) lithium borate solutions by using the relationship between the concentration of lithium ion and pH-E redox values. Especially, the effects of various environmental factors such as temperature, pressure, and flow rate on YSZ-based pH electrode were evaluated for ensuring the accuracy of high-temperature pH measurement. And the relationships between each water chemistry factor (pH, redox potential, electrical conductivity) were induced for enhancing the credibility of water chemistry measurement. In addition, on the basis of the evaluation of a nuclear plant design company, we suggested potential installation positions of the measurement system in a nuclear power plant

Development and Validation of Teaching Practice Evaluation Instrument for Assessing Chemistry Students' Teaching Skills

Science.gov (United States)

Ezeudu, F. O.; Chiaha, G. T. U.; Eze, J. U.

2013-01-01

The study was designed to develop and factorially validate an instrument for measuring teaching practice skills of chemistry student-teachers in University of Nigeria, Nsukka. Two research questions guided the study. The design of the study was instrumentation. All the chemistry student-teachers in the Department of Science Education, University…

Health and Welfare IT Product Design

DEFF Research Database (Denmark)

Merritt, Timothy; Grønbæk, Kaj

2012-01-01

In this paper we describe the outcomes from a university design class focused on the design of systems intended to solve problems faced by health care professionals, patients and systems that support welfare or extended independence for older people. The students worked in groups for 10 weeks...... finding a suitable problem to solve, iterating and refining their designs, evaluating prototypes with users, and finally presenting their work as a potential product with a detailed plan for how the product would be sold in the market. The primary contribution of this paper is to share innovative design...

A Service Design Thinking Approach for Stakeholder-Centred eHealth.

Science.gov (United States)

Lee, Eunji

2016-01-01

Studies have described the opportunities and challenges of applying service design techniques to health services, but empirical evidence on how such techniques can be implemented in the context of eHealth services is still lacking. This paper presents how a service design thinking approach can be applied for specification of an existing and new eHealth service by supporting evaluation of the current service and facilitating suggestions for the future service. We propose Service Journey Modelling Language and Service Journey Cards to engage stakeholders in the design of eHealth services.

Health and Welfare IT Product Design

DEFF Research Database (Denmark)

Merritt, Timothy; Grønbæk, Kaj

2012-01-01

finding a suitable problem to solve, iterating and refining their designs, evaluating prototypes with users, and finally presenting their work as a potential product with a detailed plan for how the product would be sold in the market. The primary contribution of this paper is to share innovative design......In this paper we describe the outcomes from a university design class focused on the design of systems intended to solve problems faced by health care professionals, patients and systems that support welfare or extended independence for older people. The students worked in groups for 10 weeks...... ideas with the design community and to reflect on lessons learned by the students who, for the first time, were designing robust prototypes that solve real world problems....

Integrating Participatory Design and Health Literacy to Improve Research and Interventions.

Science.gov (United States)

Neuhauser, Linda

2017-01-01

Health communication is an essential health promotion strategy to convert scientific findings into actionable, empowering information for the public. Health communication interventions have shown positive outcomes, but many efforts have been disappointing. A key weakness is that expert-designed health communication is often overly generic and not adequately aligned with the abilities, preferences and life situations of specific audiences. The emergence of the field of health literacy is providing powerful theoretical guidance and practice strategies. Health literacy, in concert with other determinants of health, has greatly advanced understanding of factors that facilitate or hinder health promotion at individual, organizational and community settings. However, health literacy models are incomplete and interventions have shown only modest success to date. A challenge is to move beyond the current focus on individual comprehension and address deeper factors of motivation, self-efficacy and empowerment, as well as socio-environmental influences, and their impact to improve health outcomes and reduce health disparities. Integrating participatory design theory and methods drawn from social sciences and design sciences can significantly improve health literacy models and interventions. Likewise, researchers and practitioners using participatory design can greatly benefit from incorporating health literacy principles into their efforts. Such interventions at multiple levels are showing positive health outcomes and reduction of health disparities, but this approach is complex and not yet widespread. This chapter focuses on research findings about health literacy and participatory design to improve health promotion, and practical guidance and case examples for researchers, practitioners and policymakers.

Modelling of the local chemistry in stagnant areas in the PWR primary circuit

International Nuclear Information System (INIS)

Reid, Rick; Fruzzetti, Keith; Ahluwalia, Al; Summe, Alex; Dame, Cecile; Schmitt, Kyle

2014-01-01

MRP-236 demonstrated a correlation between stagnant or low flow conditions and stress corrosion cracking (SCC) of stainless steel components in the PWR primary system. Of the approximately 140 SCC events documented (affecting 15 different components), 83% involved stagnant or low flow conditions that were likely to be associated with chemical environments different from the well mixed bulk coolant. The chemistry in such locations is typically not monitored, and sampling is difficult or impossible. Actions to improve chemistry in regions of low or no coolant flow, such as flushing, cycling of components and imposition of more stringent make up water chemistry controls affect both operational costs and outage schedules. Similarly, design changes to improve flow in affected areas are costly or impracticable. Improving the understanding of the factors controlling chemistry in such areas and development of the capability to predict typical and worst case conditions will allow an informed assessment of procedural actions and/or design changes to improve local chemistry and thereby reduce SCC susceptibility. A project was undertaken to develop a model to predict local chemistry conditions in stagnant locations. The model comprises the iterative application of the EPRI MULTEQ solution chemistry equilibrium code and standard thermodynamic relationships to predict local chemistry conditions considered likely to have been present at the surfaces of components when SCC was initiated. The starting chemistry conditions are based on PWR primary system chemistry from different plant maneuvers (e.g., startup and shutdown conditions). The model was applied to three example components where SCC has occurred in the field. The selected components were: control rod drive mechanism canopy seals; valve drain lines; and reactor vessel o-ring leak-off lines. This paper provides a summary of the model and predicted local chemistry conditions that develop for the three example component as a

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.

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)

Sulfonimidamides in Medicinal and Agricultural Chemistry

DEFF Research Database (Denmark)

Chinthakindi, Praveen K; Naicker, Tricia; Thota, Niranjan

2017-01-01

The synthesis and evaluation of structural analogues and isosteres are of central importance in medicinal and agricultural chemistry. The sulfonamide functional group represents one of the most important amide isosteres in contemporary drug design, and about 500 such compounds have overcome both ...

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

Enzymes - important players in green chemistry

Directory of Open Access Journals (Sweden)

Agata Tarczykowska

2017-09-01

Full Text Available Green chemistry has become a worldwide approach that leads to sustainable growth through application and development of its principles. A lot of work has to be put into designing new processes comprising of materials which do not emit pollutants to the atmosphere. Inventing new safer methods and finding less harmful products can be challenging. Enzymes are a great hope of scientists in the field of green chemistry. Enzymes as catalysts require mild conditions therefore it is a great way of saving resources such as energy or water. Processes with the use of enzymes have become more feasible by being more cost effective and eco friendly. Taking into account the benefits of green chemistry, enzyme biocatalysis has quickly replaced traditional chemical processes in several fields, and this substitution is going to reach even more areas because of new emerging technologies in enzyme engineering.

Steps Toward Technology Design to Beat Health Inequality

DEFF Research Database (Denmark)

Bertelsen, Pernille Scholdan; Kanstrup, Anne Marie; Madsen, Jacob

2017-01-01

workers in the neighbourhood and how this participatory approach supported a first step toward HIT design that tackles health inequality. This is important, as people in neighbourhoods with high health risks are not the target audience for the health technology innovation currently taking place despite...

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

Designing health promotion programs by watching the market.

Science.gov (United States)

Gelb, B D; Bryant, J M

1992-03-01

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

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

Chemistry control challenges in a supercritical water-cooled reactor

International Nuclear Information System (INIS)

Guzonas, David; Tremaine, Peter; Jay-Gerin, Jean-Paul

2009-01-01

The long-term viability of a supercritical water-cooled reactor (SCWR) will depend on the ability of designers to predict and control water chemistry to minimize corrosion and the transport of corrosion products and radionuclides. Meeting this goal requires an enhanced understanding of water chemistry as the temperature and pressure are raised beyond the critical point. A key aspect of SCWR water chemistry control will be mitigation of the effects of water radiolysis; preliminary studies suggest markedly different behavior than that predicted from simple extrapolations from conventional water-cooled reactor behavior. The commonly used strategy of adding excess hydrogen at concentrations sufficient to suppress the net radiolytic production of primary oxidizing species may not be effective in an SCWR. The behavior of low concentrations of impurities such as transition metal corrosion products, chemistry control agents, anions introduced via make-up water or from ion-exchange resins, and radionuclides (e.g., 60 Co) needs to be understood. The formation of neutral complexes increases with temperature, and can become important under near-critical and supercritical conditions; the most important region is from 300-450 C, where the properties of water change dramatically, and solvent compressibility effects exert a huge influence on solvation. The potential for increased transport and deposition of corrosion products (active and inactive), leading to (a) increased deposition on fuel cladding surfaces, and (b) increased out-of-core radiation fields and worker dose, must be assessed. There are also significant challenges associated with chemistry sampling and monitoring in an SCWR. The typical methods used in current reactor designs (grab samples, on-line monitors at the end of a cooled, depressurized sample line) will be inadequate, and in-situ measurements of key parameters will be required. This paper describes current Canadian activities in SCWR chemistry and chemistry

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

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…

User-Centered Design and Interactive Health Technologies for Patients

Science.gov (United States)

De Vito Dabbs, Annette; Myers, Brad A.; Mc Curry, Kenneth R.; Dunbar-Jacob, Jacqueline; Hawkins, Robert P.; Begey, Alex; Dew, Mary Amanda

2010-01-01

Despite recommendations that patients be involved in the design and testing of health technologies, few reports describe how to involve patients in systematic and meaningful ways to ensure that applications are customized to meet their needs. User-centered design (UCD) is an approach that involves end-users throughout the development process so that technology support tasks, are easy to operate, and are of value to users. In this paper we provide an overview of UCD and use the development of Pocket Personal Assistant for Tracking Health (Pocket PATH), to illustrate how these principles and techniques were applied to involve patients in the development of this interactive health technology. Involving patient-users in the design and testing ensured functionality and usability, therefore increasing the likelihood of promoting the intended health outcomes. PMID:19411947

Comptox Chemistry Dashboard: Web-Based Data Integration Hub for Environmental Chemistry and Toxicology Data (ACS Fall meeting 4 of 12)

Science.gov (United States)

The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrate advances in biology, chemistry, exposure and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and da...

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

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.

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.

An ideal teaching program of nuclear chemistry in the undergraduate chemistry curriculum

International Nuclear Information System (INIS)

Uenak, T.

2009-01-01

It is well known that several reports on the common educational problems of nuclear chemistry have been prepared by certain groups of experts from time to time. According to very important statements in these reports, nuclear chemistry and related courses generally do not take sufficient importance in undergraduate chemistry curricula and it was generally proposed that nuclear chemistry and related courses should be introduced into undergraduate chemistry curricula at universities worldwide. Starting from these statements, an ideal program in an undergraduate chemistry curriculum was proposed to be introduced into the undergraduate chemistry program at the Department of Chemistry, Ege University, in Izmir, Turkey during the regular updating of the chemistry curriculum. Thus, it has been believed that this Department of Chemistry has recently gained an ideal teaching program in the field of nuclear chemistry and its applications in scientific, industrial, and medical sectors. In this contribution, the details of this program will be discussed. (author)

WebQuest experience: Pre-Service secondary maths and chemistry teachers

Directory of Open Access Journals (Sweden)

Erdoğan Halat

2016-04-01

Full Text Available The aim of this study was to examine the impact of developing WebQuests on the attention, confidence, relevance and satisfaction, or motivation, of pre-service secondary mathematics and chemistry teachers in the instructional technologies and material design course. There were a total of 67 pre-service teachers, 32 pre-service secondary mathematics teachers and 35 pre-service secondary chemistry teachers involved in this study, which took place over seven weeks. The pre-service teachers in both groups designed their WebQuests suitable for the level of high-school students. The researcher used a questionnaire in the collection of the data to find the motivational level of the participants. It was given to the participants by the researcher before and after the instruction during a single class period. The paired-samples t-test, independent samples t-test and ANCOVA were used in the analysis of the quantitative data. The study showed that designing WebQuests had more effect on the attention, confidence and relevance of the pre-service chemistry teachers than of the pre-service mathematics teachers. However, in general, although developing WebQuests had positive effects on the motivational levels of both pre-service secondary maths and chemistry teachers, there were no statistically significant differences found in relation to the motivational levels of both groups.

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

Chemistry of supramolecular systems containing porphyrins and metal complexes

OpenAIRE

Araki, Koiti; Toma, Henrique Eisi

2002-01-01

Supramolecular chemistry is expected to keep a high developing pace in the next years, giving support to the advancement of molecular devices and nanotechnology. In this sense, porphyrins and their analogues should play a significant role as a consequence of their catalytic, electrocatalytic, photochemical and photoelectrochemical properties. In this review we focused on our own strategy based on coordination chemistry for the design and build-up of supermolecules and supramolecular structure...

Designing minimum data sets of health smart card system

OpenAIRE

Mohtaram Nematollahi

2014-01-01

Introduction: Nowadays different countries benefit from health system based on health cards and projects related to smart cards. Lack of facilities which cover this technology is obvious in our society. This paper aims to design Minimum Data Sets of Health Smart Card System for Iran. Method: This research was an applied descriptive study. At first, we reviewed the same projects and guidelines of selected countries and the proposed model was designed in accordance to the country’s ...

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…

Synergistic relationships between Analytical Chemistry and written standards

International Nuclear Information System (INIS)

Valcárcel, Miguel; Lucena, Rafael

2013-01-01

Graphical abstract: -- Highlights: •Analytical Chemistry is influenced by international written standards. •Different relationships can be established between them. •Synergies can be generated when these standards are conveniently managed. -- Abstract: This paper describes the mutual impact of Analytical Chemistry and several international written standards (norms and guides) related to knowledge management (CEN-CWA 14924:2004), social responsibility (ISO 26000:2010), management of occupational health and safety (OHSAS 18001/2), environmental management (ISO 14001:2004), quality management systems (ISO 9001:2008) and requirements of the competence of testing and calibration laboratories (ISO 17025:2004). The intensity of this impact, based on a two-way influence, is quite different depending on the standard considered. In any case, a new and fruitful approach to Analytical Chemistry based on these relationships can be derived

Synergistic relationships between Analytical Chemistry and written standards

Energy Technology Data Exchange (ETDEWEB)

Valcárcel, Miguel, E-mail: qa1vacam@uco.es; Lucena, Rafael

2013-07-25

Graphical abstract: -- Highlights: •Analytical Chemistry is influenced by international written standards. •Different relationships can be established between them. •Synergies can be generated when these standards are conveniently managed. -- Abstract: This paper describes the mutual impact of Analytical Chemistry and several international written standards (norms and guides) related to knowledge management (CEN-CWA 14924:2004), social responsibility (ISO 26000:2010), management of occupational health and safety (OHSAS 18001/2), environmental management (ISO 14001:2004), quality management systems (ISO 9001:2008) and requirements of the competence of testing and calibration laboratories (ISO 17025:2004). The intensity of this impact, based on a two-way influence, is quite different depending on the standard considered. In any case, a new and fruitful approach to Analytical Chemistry based on these relationships can be derived.

BWR Water Chemistry Guidelines: 1993 Revision, Normal and hydrogen water chemistry

International Nuclear Information System (INIS)

Karlberg, G.; Goddard, C.; Fitzpatrick, S.

1994-02-01

The goal of water chemistry control is to extend the operating life of the reactor and rector coolant system, balance-of-plant components, and turbines while simultaneously controlling costs to safeguard the continued economic viability of the nuclear power generation investment. To further this goal an industry committee of chemistry personnel prepared guidelines to identify the benefits, risks, and costs associated with water chemistry in BWRs and to provide a template for an optimized water chemistry program. This document replaces the BWR Normal Water Chemistry Guidelines - 1986 Revision and the BWR Hydrogen Water Chemistry Guidelines -- 1987 Revision. It expands on the previous guidelines documents by covering the economic implications of BWR water chemistry control

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Supramolecular chemistry: from molecular information towards self-organization and complex matter

International Nuclear Information System (INIS)

Lehn, Jean-Marie

2004-01-01

Molecular chemistry has developed a wide range of very powerful procedures for constructing ever more sophisticated molecules from atoms linked by covalent bonds. Beyond molecular chemistry lies supramolecular chemistry, which aims at developing highly complex chemical systems from components interacting via non-covalent intermolecular forces. By the appropriate manipulation of these interactions, supramolecular chemistry became progressively the chemistry of molecular information, involving the storage of information at the molecular level, in the structural features, and its retrieval, transfer, and processing at the supramolecular level, through molecular recognition processes operating via specific interactional algorithms. This has paved the way towards apprehending chemistry also as an information science. Numerous receptors capable of recognizing, i.e. selectively binding, specific substrates have been developed, based on the molecular information stored in the interacting species. Suitably functionalized receptors may perform supramolecular catalysis and selective transport processes. In combination with polymolecular organization, recognition opens ways towards the design of molecular and supramolecular devices based on functional (photoactive, electroactive, ionoactive, etc) components. A step beyond preorganization consists in the design of systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined supramolecular architectures by self-assembly from their components. Self-organization processes, directed by the molecular information stored in the components and read out at the supramolecular level through specific interactions, represent the operation of programmed chemical systems. They have been implemented for the generation of a variety of discrete functional architectures of either organic or inorganic nature. Self-organization processes also give access to advanced supramolecular materials, such as

Azaspiracid Shellfish Poisoning: A Review on the Chemistry, Ecology, and Toxicology with an Emphasis on Human Health Impacts

Directory of Open Access Journals (Sweden)

Gregory J. Doucette

2008-05-01

Full Text Available Azaspiracids (AZA are polyether marine toxins that accumulate in various shellfish species and have been associated with severe gastrointestinal human intoxications since 1995. This toxin class has since been reported from several countries, including Morocco and much of western Europe. A regulatory limit of 160 μg AZA/kg whole shellfish flesh was established by the EU in order to protect human health; however, in some cases, AZA concentrations far exceed the action level. Herein we discuss recent advances on the chemistry of various AZA analogs, review the ecology of AZAs, including the putative progenitor algal species, collectively interpret the in vitro and in vivo data on the toxicology of AZAs relating to human health issues, and outline the European legislature associated with AZAs.

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

History of the water chemistry for the few tube test model

International Nuclear Information System (INIS)

Moss, S.A.; Simpson, J.L.

1979-09-01

The water chemistry activities carried out in support of the Few Tube Test are described. This test was conducted to provide design confirmation data for the Clinch River Breeder Reactor Project (CRBRP) steam generators. Proposed CRBRP chemistry was followed; all volatile treatment (AVT) of water was carried out with on-line monitoring capability

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.

The Professional Development of High School Chemistry Coordinators

Science.gov (United States)

Hofstein, Avi; Carmeli, Miriam; Shore, Relly

2004-02-01

The implementation of new content and pedagogical standards in science education necessitates intensive, long-term professional development of science teachers. In this paper, we describe the rationale and structure of a comprehensive and intensive professional development program of school-based leaders, namely school chemistry coordinators. The year-long program was designed so that the chemistry teachers who enrolled in the program were able to develop in three interrelated aspects: content knowledge, pedagogical content knowledge, and leadership ability. Several strategies for the development of these aspects were adopted from Loucks-Horsley, Hewson, Love, & Stiles (1998). The evaluation of the program focused on the changes that participating teachers underwent regarding their personal beliefs and their functioning as school chemistry coordinators in their schools.

Unusual Undergraduate Training in Medicinal Chemistry in Collaboration between Academia and Industry.

Science.gov (United States)

McInally, Thomas; Macdonald, Simon J F

2017-10-12

Globalization has driven new paradigms for drug discovery and development. Activities previously carried out predominantly in the United States, Europe, and Japan are now carried out globally. This has caused considerable change in large pharma including how medicinal chemists are trained. Described here is the training of chemistry undergraduates in medicinal chemistry (as practiced in industry) in two modules developed in collaboration between the University of Nottingham (UoN) and GlaxoSmithKline (GSK). The students complete several design-synthesize-test iterations on medicinal chemistry projects where they carry out the design and synthesis, and GSK tests the compounds. Considerable emphasis is placed on standard design properties used within industry. The modules are popular with the students and usually oversubscribed. An unexpected benefit has been the opportunities that have emerged with research and commercial potential. Graduate and postgraduate training of medicinal chemists at GSK is also briefly described.

Human-centred design in global health: A scoping review of applications and contexts.

Directory of Open Access Journals (Sweden)

Alessandra N Bazzano

Full Text Available Health and wellbeing are determined by a number of complex, interrelated factors. The application of design thinking to questions around health may prove valuable and complement existing approaches. A number of public health projects utilizing human centered design (HCD, or design thinking, have recently emerged, but no synthesis of the literature around these exists. The results of a scoping review of current research on human centered design for health outcomes are presented. The review aimed to understand why and how HCD can be valuable in the contexts of health related research. Results identified pertinent literature as well as gaps in information on the use of HCD for public health research, design, implementation and evaluation. A variety of contexts were identified in which design has been used for health. Global health and design thinking have different underlying conceptual models and terminology, creating some inherent tensions, which could be overcome through clear communication and documentation in collaborative projects. The review concludes with lessons learned from the review on how future projects can better integrate design thinking with global health research.

Attitudes towards chemistry among engineering students

Science.gov (United States)

Olivo Delgado, Carlos J.

The attitudes towards chemistry of the engineering students enrolled in an introductory course at the Polytechnic University of Puerto Rico were explored (n = 115). A mixed methodology was used in an exploratory-oriented research approach. The first stage consisted of the administration of a Likert scale attitudinal survey which was validated during the study's design process. The survey allowed collecting information about the participant's attitudes towards their personal opinion, their perspectives about peer's or relatives' opinion, relevant aspects of the discipline, and difficulty-increasing factors in the chemistry course. The scale internal reliability was measured in a pilot study with a convenience simple, obtaining an acceptable coefficient (Cronbach alpha = 0.731). Survey results evidenced a mainly neutral attitude towards the chemistry course, not highly negative or highly positive, in contrast with other studies in this field. On the other hand, the normality hypothesis was tested for the scores obtained by participants in the survey. Although the pilot study sample had an approximately normal distribution, the scores in obtained by the participants in the survey failed the normality test criteria. The second stage of the study was accomplished using a case study. Among the survey participants, some students were invited to in-depth interviews to elucidate the reasons why they have certain attitudes towards chemistry. Study time, instructor, motivation, term of study, and course schedule are the factors that interviewees agreed as contributors to success or failure in the chemistry course. Interview's participants emphasized that study time is determinant to pass the class. This methodological approach, quantitative followed by qualitative, was useful in describing the attitudes towards chemistry among university students of engineering.

Creativity as a Key Driver for Designing Context Sensitive Health Informatics.

Science.gov (United States)

Zhou, Chunfang; Nøhr, Christian

2017-01-01

In order to face the increasing challenges of complexity and uncertainty in practice of health care, this paper aims to discuss how creativity can contribute to design new technologies in health informatics systems. It will firstly introduce the background highlighting creativity as a missing element in recent studies on context sensitive health informatics. Secondly, the concept of creativity and its relationship with activities of technology design will be discussed from a socio-culture perspective. This will be thirdly followed by understanding the roles of creativity in designing new health informatics technologies for meeting needs of high context sensitivity. Finally, a series of potential strategies will be suggested to improve creativity among technology designers working in healthcare industries. Briefly, this paper innovatively bridges two areas studies on creativity and context sensitive health informatics by issues of technology design that also indicates its important significances for future research.

Canonical Pedagogical Content Knowledge by Cores for Teaching Acid-Base Chemistry at High School

Science.gov (United States)

Alvarado, Clara; Cañada, Florentina; Garritz, Andoni; Mellado, Vicente

2015-01-01

The topic of acid-base chemistry is one of the oldest in general chemistry courses and it has been almost continuously in academic discussion. The central purpose of documenting the knowledge and beliefs of a group of ten Mexican teachers with experience in teaching acid-base chemistry in high school was to know how they design, prepare and…

eHealth literacy issues, constructs, models, and methods for health information technology design and evaluation

Directory of Open Access Journals (Sweden)

Helen Monkman

2015-12-01

Full Text Available The concept of eHealth literacy is beginning to be recognized as a being of key importance in the design and adoption of effective and efficient health information systems and applications targeted to lay people and patients. Indeed, many systems such as patient portals and personal health records have not been adopted due to a mismatch between the level of eHealth literacy demanded by a system and the level of eHealth literacy possessed by end users. The purpose of this paper is to present an overview of important concepts related to eHealth literacy, as well as how the notion of eHealth literacy can be applied to improve the design and adoption of consumer health information systems. This paper begins with describing the importance of eHealth literacy with respect to design of health applications for the general public paired with examples of consumer health information systems whose limited success and adoption has been attributed to the lack of consideration for eHealth literacy. This is followed by definitions of what eHealth literacy is and how it emerged from the related concept of health literacy. A model for conceptualizing the importance of aligning consumers’ eHealth literacy skills and the demands systems place on their skills is then described. Next, current tools for assessing consumers’ eHealth literacy levels are outlined, followed by an approach to systematically incorporating eHealth literacy in the deriving requirements for new systems is presented. Finally, a discussion of evolving approaches for incorporating eHealth literacy into usability engineering methods is presented.

Developments in Participatory Design of Health Information Technology

DEFF Research Database (Denmark)

Kanstrup, Anne Marie; Madsen, Jacob; Nøhr, Christian

2017-01-01

The landscape of Participatory Design (PD) of Health Information Technology (HIT) is diverse and constantly evolving. This paper reviews the publications in the proceedings from the Participatory Design Conferences (PDCs) that have been held every two years since 1990. We used the Matrix Method...... procedures, records, secondary healthcare and health professionals. However, the analysis also shows a development from a primary focus on health workers and hospitals to a recent attention on HIT in everyday life and PD with patients, relatives, neighbourhoods and citizens in general. Additionally......, the review shows a growing number of PD methods being applied. This paper concludes that research on PD and HIT appears to be maturing and developing with ongoing technological and societal development....

Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology.

Science.gov (United States)

Ojima, Iwao

2013-07-05

Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

Bio-organic chemistry at BARC

International Nuclear Information System (INIS)

Sharma, A.; Ghosh, S.K.; Chattopadhyay, S.

2009-01-01

Bioorganic chemistry plays a pivotal role of co-ordination amongst the research and developmental activities of physical, biological, material and nuclear sciences. Understandably, the domain of bioorganic chemistry encompasses overlapping scientific fields, and often involves multi-disciplinary subjects. The research activities of bioorganic research at BARC are, therefore directed with reference to deliverables, relevant to various nuclear and non-nuclear programmes of the department. Also, the activities of the division are fine tuned to address the contemporary needs. It is now well recognized that organic compounds are essential in various programmes of nuclear technology. These include solvents and membranes for the back-end process, carrier molecules for radiopharmaceuticals, optoelectrical materials and sensors for high tech applications etc. Coupled with this, bioorganics also form integral part of the departmental mission-oriented societal programmes in the areas of health and agriculture

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

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.)

Environmental, health, and safety by design

International Nuclear Information System (INIS)

Soklow, R.G.

1999-01-01

Solar Turbines Incorporated created a self-directed work team, the Safety and Environmental Awareness (SEA) Team that initiated a company wide effort to raise employee awareness to promote integrating responsible environmental, health, and safety practices into product design, manufacturing, and services. Environmental, health, and safety issues influence how all businesses operate around the world. Companies choose to operate in an environmentally responsible manner because it not only benefits employees and the communities where they live, it also benefits the business when superior performance results in a competitive advantage. Solar surveyed gas turbines users to identify their top environmental and safety concerns and issues. The authors asked about various environmental and safety aspects of their equipment. Results from the survey has helped engineering and design focus efforts so that future products and product improvements assist customers in meeting their regulatory obligations and social responsibilities. Air pollution has historically been one of the most important environmental issues facing customers, because pollutant emissions greatly influence equipment choices and operation flexibility. There are other environmental, health and safety issues: sustainable fire suppression choices, start systems, hazardous materials use and ability to recycle materials, package accessibility, noise and product take back issues

Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

OpenAIRE

Honjo, Takaharu

2001-01-01

Analytical chemistry is an indispensable methodology in pure and applied chemistry, which is often compared to a foundation stone of architecture. In the home page of jsac, it is said that analytical chemistry is a learning of basic science, which treats the development of method in order to get usefull chemical information of materials by means of detection, separation, and characterization. Analytical chemistry has recently developed into analytical sciences, which treats not only analysis ...

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

High Structure Active Learning Pedagogy for the Teaching of Organic Chemistry: Assessing the Impact on Academic Outcomes

Science.gov (United States)

Crimmins, Michael T.; Midkiff, Brooke

2017-01-01

Organic Chemistry is a required course for programs in chemistry, biology, and many health science careers. It has historically been considered a highly challenging course with significant failure rates. As with many science disciplines, the teaching of Organic Chemistry has traditionally focused on unstructured exposition-centered delivery of…

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)

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

A materials informatics approach for crystal chemistry

Science.gov (United States)

Kong, Chang Sun

This thesis addresses one of the fundamental questions in materials crystal chemistry, namely why do atoms arrange themselves in the way they do? The ability to broadly design and predict new phases [i.e. crystal structures] can be partly met using concepts that employ phase homologies. Homologous series of compounds are those that seem chemically diverse but can be expressed in terms of a mathematical formula that is capable of producing each chemical member in that crystal structure. A well-established strategy to help discover new compounds -- or at least to try to develop chemical design strategies for discovery -- is to search, organize and classify homologous compounds from known data. These classification schemes are developed with the hope that they can provide sufficient insight to help us forecast with some certainty, specific new phases or compounds. Yet, while the classification schemes (over a dozen have been reported in the last 50 years) have proved to be instructive, mostly in hindsight, but they have had limited impact, if at all, on the a priori design of materials chemistry. The aim of this research project is to develop a totally new approach to the study of chemical complexity in materials science using the tools of information theory and data science, which link diverse and high dimensional data derived from physical modeling and experiments. A very large scale binary AB2 crystallographic database is used as a data platform to develop a new data mining/informatics protocol based on high dimensional recursive partitioning schemes coupled to information theoretic measures to: (1) Identify which type of structure prototype is preferred over another for a given chemistry of compound; (2) discover new classification schemes of structure/chemistry/property relationships that classical homologies do not detect and finally we; (3) Extract and organize the underlying design rules for the formation of a given structure by quantitatively assessing the

Cigarette smoke chemistry market maps under Massachusetts Department of Public Health smoking conditions.

Science.gov (United States)

Morton, Michael J; Laffoon, Susan W

2008-06-01

This study extends the market mapping concept introduced by Counts et al. (Counts, M.E., Hsu, F.S., Tewes, F.J., 2006. Development of a commercial cigarette "market map" comparison methodology for evaluating new or non-conventional cigarettes. Regul. Toxicol. Pharmacol. 46, 225-242) to include both temporal cigarette and testing variation and also machine smoking with more intense puffing parameters, as defined by the Massachusetts Department of Public Health (MDPH). The study was conducted over a two year period and involved a total of 23 different commercial cigarette brands from the U.S. marketplace. Market mapping prediction intervals were developed for 40 mainstream cigarette smoke constituents and the potential utility of the market map as a comparison tool for new brands was demonstrated. The over-time character of the data allowed for the variance structure of the smoke constituents to be more completely characterized than is possible with one-time sample data. The variance was partitioned among brand-to-brand differences, temporal differences, and the remaining residual variation using a mixed random and fixed effects model. It was shown that a conventional weighted least squares model typically gave similar prediction intervals to those of the more complicated mixed model. For most constituents there was less difference in the prediction intervals calculated from over-time samples and those calculated from one-time samples than had been anticipated. One-time sample maps may be adequate for many purposes if the user is aware of their limitations. Cigarette tobacco fillers were analyzed for nitrate, nicotine, tobacco-specific nitrosamines, ammonia, chlorogenic acid, and reducing sugars. The filler information was used to improve predicting relationships for several of the smoke constituents, and it was concluded that the effects of filler chemistry on smoke chemistry were partial explanations of the observed brand-to-brand variation.

Symposium on chemistry and biotechnology for national development. Proceedings

International Nuclear Information System (INIS)

Garba, A.; Ogunmola, G.B.

1998-01-01

This document is the full proceedings of the symposium on chemistry and biotechnology for national development held at SHESTCO in 1995. It contains the full texts of a forward, opening and special remarks, welcome and keynote addresses and abstracts and texts of 21 technical papers. The subjects covered included information technology,chemistry and biotechnology in agriculture, health care and industrial development. Additionally, the abstracts in respect of 19 other papers are included. We wish to thank the Coordinator of SHESTCO for making available this proceedings

Symposium on chemistry and biotechnology for national development. Proceedings

Energy Technology Data Exchange (ETDEWEB)

Garba, A; Ogunmola, G B [eds.

1998-12-01

This document is the full proceedings of the symposium on chemistry and biotechnology for national development held at SHESTCO in 1995. It contains the full texts of a forward, opening and special remarks, welcome and keynote addresses and abstracts and texts of 21 technical papers. The subjects covered included information technology,chemistry and biotechnology in agriculture, health care and industrial development. Additionally, the abstracts in respect of 19 other papers are included. We wish to thank the Coordinator of SHESTCO for making available this proceedings.

Synthetic Approach to biomolecular science by cyborg supramolecular chemistry.

Science.gov (United States)

Kurihara, Kensuke; Matsuo, Muneyuki; Yamaguchi, Takumi; Sato, Sota

2018-02-01

To imitate the essence of living systems via synthetic chemistry approaches has been attempted. With the progress in supramolecular chemistry, it has become possible to synthesize molecules of a size and complexity close to those of biomacromolecules. Recently, the combination of precisely designed supramolecules with biomolecules has generated structural platforms for designing and creating unique molecular systems. Bridging between synthetic chemistry and biomolecular science is also developing methodologies for the creation of artificial cellular systems. This paper provides an overview of the recently expanding interdisciplinary research to fuse artificial molecules with biomolecules, that can deepen our understanding of the dynamical ordering of biomolecules. Using bottom-up approaches based on the precise chemical design, synthesis and hybridization of artificial molecules with biological materials have been realizing the construction of sophisticated platforms having the fundamental functions of living systems. The effective hybrid, molecular cyborg, approaches enable not only the establishment of dynamic systems mimicking nature and thus well-defined models for biophysical understanding, but also the creation of those with highly advanced, integrated functions. This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 Elsevier B.V. All rights reserved.

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

The Nuclear Science Facility at San Jose State University and the U.S. Department of Energy sponsored Summer School in Nuclear Chemistry

International Nuclear Information System (INIS)

Ling, A.C.

1990-01-01

The Nuclear Science Facility at SJSU was first opened for classes in 1975. It is designed primarily for undergraduate teaching of nuclear chemistry, radiochemistry, tracer techniques, and radiation safety. Utilizing nearly $1.5 million in counting equipment alone, but excluding a reactor or accelerator, it allows simultaneous use of multiple counting assemblages for up to 20 individual students, even for advanced experiments with Ge/MCA units. Current academic programs include a B.S. Degree in Radiochemistry, an M.S. in Radiological Health Physics, and community outreach to grade schools (nearly 2,000 student-experiments for grades 7-12 were performed in AY88/89). To encourage nuclear chemistry as a potential area of study in graduate school, the US Department of Energy funded a special national Summer School in Nuclear Chemistry. This was first held at SJSU in 1984; summer 1990 will see the seventh such program taught

The semantics of Chemical Markup Language (CML for computational chemistry : CompChem

Directory of Open Access Journals (Sweden)

Phadungsukanan Weerapong

2012-08-01

Full Text Available Abstract This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations of individual molecules to be stored. These calculations include, for example, single point energy calculation, molecular geometry optimization, and vibrational frequency analysis. The paper also describes the supporting infrastructure, such as processing software, dictionaries, validation tools and database repositories. In addition, some of the challenges and difficulties in developing common computational chemistry dictionaries are discussed. The uses of CompChem are illustrated by two practical applications.

The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem.

Science.gov (United States)

Phadungsukanan, Weerapong; Kraft, Markus; Townsend, Joe A; Murray-Rust, Peter

2012-08-07

: This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations of individual molecules to be stored. These calculations include, for example, single point energy calculation, molecular geometry optimization, and vibrational frequency analysis. The paper also describes the supporting infrastructure, such as processing software, dictionaries, validation tools and database repositories. In addition, some of the challenges and difficulties in developing common computational chemistry dictionaries are discussed. The uses of CompChem are illustrated by two practical applications.

What We Don't Test: What an Analysis of Unreleased ACS Exam Items Reveals about Content Coverage in General Chemistry Assessments

Science.gov (United States)

Reed, Jessica J.; Villafan~e, Sachel M.; Raker, Jeffrey R.; Holme, Thomas A.; Murphy, Kristen L.

2017-01-01

General chemistry courses are often the foundation for the study of other science disciplines and upper-level chemistry concepts. Students who take introductory chemistry courses are more often from health and science-related fields than chemistry. As such, the content taught and assessed in general chemistry courses is envisioned as building…

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

DESIGNING E-EDUCATION SUPPORTS IN E-HEALTH BASED SYSTEMS

Directory of Open Access Journals (Sweden)

Ikhu-Omoregbe, NICHOLAS

2008-07-01

Full Text Available ABSTRACT The inadequate availability of medical information has often made health care services in many developing countries cumbersome with enormous paper work, waste of life, time and resources, long queues, and ineffective treatment procedures. The use of mobile technology devices such as Personal Digital Assistants, Cell phone, Tablet PCs etc for health care delivery promises a revolution in modern health care. However, applications that provide access to real-time patients and research information at the point-of-care via mobile devices are at best in their low stage of adoption across the health sector. In this paper, the experience gained in designing mobile health care applications is used to proffer e-Education functionalities in the design of healthcare systems to enhance their acceptance in the medical domain. The application discussed uses, the Unified Modelling Language, mobile, and Java-based technologies for its development. The application provides a real-time access to medical information at the points of health-care delivery within health care centres.

Sound & Vibration 20 Design Guidelines for Health Care Facilities

CERN Document Server

Tocci, Gregory; Cavanaugh, William

2013-01-01

Sound, vibration, noise and privacy have significant impacts on health and performance. As a result, they are recognized as essential components of effective health care environments. However, acoustics has only recently become a prominent consideration in the design, construction, and operation of healthcare facilities owing to the absence, prior to 2010, of clear and objective guidance based on research and best practices. Sound & Vibration 2.0 is the first publication to comprehensively address this need. Sound & Vibration 2.0 is the sole reference standard for acoustics in health care facilities and is recognized by: the 2010 FGI Guidelines for the Design and Construction of Health Care Facilities (used in 60 countries); the US Green Building Council’s LEED for Health Care (used in 87 countries); The Green Guide for Health Care V2.2; and the International Code Council (2011). Sound & Vibration 2.0 was commissioned by the Facility Guidelines Institute in 2005, written by the Health Care Acous...

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)

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)

The Eighth Central European Conference “Chemistry towards Biology”: Snapshot†

Science.gov (United States)

Perczel, András; Atanasov, Atanas G.; Sklenář, Vladimír; Nováček, Jiří; Papoušková, Veronika; Kadeřávek, Pavel; Žídek, Lukáš; Kozłowski, Henryk; Watły, Joanna; Hecel, Aleksandra; Kołkowska, Paulina; Koča, Jaroslav; Svobodová-Vařeková, Radka; Pravda, Lukáš; Sehnal, David; Horský, Vladimír; Geidl, Stanislav; Enriz, Ricardo D.; Matějka, Pavel; Jeništová, Adéla; Dendisová, Marcela; Kokaislová, Alžběta; Weissig, Volkmar; Olsen, Mark; Coffey, Aidan; Ajuebor, Jude; Keary, Ruth; Sanz-Gaitero, Marta; van Raaij, Mark J.; McAuliffe, Olivia; Waltenberger, Birgit; Mocan, Andrei; Šmejkal, Karel; Heiss, Elke H.; Diederich, Marc; Musioł, Robert; Košmrlj, Janez; Polanński, Jarosław; Jampílek, Josef

2017-01-01

The Eighth Central European Conference “Chemistry towards Biology” was held in Brno, Czech Republic, on 28 August–1 September 2016 to bring together experts in biology, chemistry and design of bioactive compounds; promote the exchange of scientific results, methods and ideas; and encourage cooperation between researchers from all over the world. The topics of the conference covered “Chemistry towards Biology”, meaning that the event welcomed chemists working on biology-related problems, biologists using chemical methods, and students and other researchers of the respective areas that fall within the common scope of chemistry and biology. The authors of this manuscript are plenary speakers and other participants of the symposium and members of their research teams. The following summary highlights the major points/topics of the meeting. PMID:27763518

Designing for health in school buildings

DEFF Research Database (Denmark)

Kirkeby, Inge Mette; Jensen, Bjarne Bruun; Larsen, Kristian

2015-01-01

Aim: To investigate the kinds of knowledge practitioners use when planning and designing for health in school buildings. Methods: Twelve semi-structured qualitative interviews were conducted with architects, teachers and officials to investigate use of knowledge in the making of school buildings...

The water chemistry of CANDU PHW reactors

International Nuclear Information System (INIS)

LeSurf, J.E.

1978-01-01

This review will discuss the chemistry of the three major water circuits in a CANDU-PHW reactor, viz., the Primary Heat Transport (PHT) water, the moderator and the boiler water. An important consideration for the PHT chemistry is the control of corrosion and of the transport of corrosion products to minimize the growth of radiation fields. In new reactors the PHT will be allowed to boil, requiring reconsideration of the methods used to radiolytic oxygen and elevate the pH. Separation of the moderator from the PHT in the pressure-tubed CANDU design permits better optimization of the chemistry of each system, avoiding the compromises necessary when the same water serves both functions. Major objectives in moderator chemistry are to control (a) the radiolytic decomposition of D 2 0; (b) the concentration of soluble neutron poisons added to adjust reactivity; and (c) the chemistry of shutdown systems. The boiler water and its feed water are treated to avoid boiler tube corrosion, both during normal operation and when perturbations are caused to the feed by, for example, leaks in the condenser tubes which permit ingress of untreated condenser cooling water. Development of a system for automatic analysis and control of feed water to give rapid, reliable response to abnormal conditions is a novel feature which has been developed for incorporation in future CANDU-PHW reactors. (author)

Leveraging health information exchange to improve population health reporting processes: lessons in using a collaborative-participatory design process.

Science.gov (United States)

Revere, Debra; Dixon, Brian E; Hills, Rebecca; Williams, Jennifer L; Grannis, Shaun J

2014-01-01

Surveillance, or the systematic monitoring of disease within a population, is a cornerstone function of public health. Despite significant investment in information technologies (IT) to improve the public's health, health care providers continue to rely on manual, spontaneous reporting processes that can result in incomplete and delayed surveillance activities. Participatory design principles advocate including real users and stakeholders when designing an information system to ensure high ecological validity of the product, incorporate relevance and context into the design, reduce misconceptions designers can make due to insufficient domain expertise, and ultimately reduce barriers to adoption of the system. This paper focuses on the collaborative and informal participatory design process used to develop enhanced, IT-enabled reporting processes that leverage available electronic health records in a health information exchange to prepopulate notifiable-conditions report forms used by public health authorities. Over nine months, public health stakeholders, technical staff, and informatics researchers were engaged in a multiphase participatory design process that included public health stakeholder focus groups, investigator-engineering team meetings, public health survey and census regarding high-priority data elements, and codesign of exploratory prototypes and final form mock-ups. A number of state-mandated report fields that are not highly used or desirable for disease investigation were eliminated, which allowed engineers to repurpose form space for desired and high-priority data elements and improve the usability of the forms. Our participatory design process ensured that IT development was driven by end user expertise and needs, resulting in significant improvements to the layout and functionality of the reporting forms. In addition to informing report form development, engaging with public health end users and stakeholders through the participatory design

Physical Chemistry '98: Fourth International Conference on Fundamental and Applied Aspects of Physical Chemistry - Papers

International Nuclear Information System (INIS)

Ribnikar, S.; Anic, S.

1998-01-01

The proceedings has following chapters: Plenary lectures; Chemical Thermodynamics; Spectroscopy, Molecular Structures, Physical Chemistry of Plasma; Kinetics, Catalysis, Nonlinear Dynamics; Electrochemistry; Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry; Solid State Physical Chemistry, Material Science; Macromolecular Physical Chemistry; Environmental Protection; Phase Boundaries; Complex Compounds; General Physical Chemistry. A separated abstract was prepared for each of the 20 papers selected from the three chapters: Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry. and Environmental Protection. Refs and figs

Student understanding development in chemistry concepts through constructivist-informed laboratory and science camp process in secondary school

Science.gov (United States)

Pathommapas, Nookorn

2018-01-01

Science Camp for Chemistry Concepts was the project which designed to provide local students with opportunities to apply chemistry concepts and thereby developing their 21st century skills. The three study purposes were 1) to construct and develop chemistry stations for encouraging students' understandings in chemistry concepts based on constructivist-informed laboratory, 2) to compare students' understandings in chemistry concepts before and after using chemistry learning stations, and 3) to study students' satisfactions of using their 21st century skills in science camp activities. The research samples were 67 students who attended the 1-day science camp. They were levels 10 to 11 students in SumsaoPittayakarn School, UdonThani Province, Thailand. Four constructivist-informed laboratory stations of chemistry concepts were designed for each group. Each station consisted of a chemistry scenario, a question, answers in tier 1 and supporting reasons in tier 2, and 4 sets of experimental instruments. Four to five-member subgroups of four student groups parallel participated in laboratory station for an hour in each station. Student activities in each station concluded of individual pretest, group prediction, experimental design, testing out and collection data, interpreting the results, group conclusion, and individual post-test. Data collection was done by station mentors using two-tier multiple choice questions, students' written work and interviews. Data triangulation was used for interpreting and confirming students' understandings of chemistry concepts which divided into five levels, Sound Understanding (SU), Partial Understanding (PU), Specific Misconception (SM), No Understanding (NU) and No Response (NR), before and after collaborating at each station. The study results found the following: 1) four constructivist-laboratory stations were successfully designed and used to investigate student' understandings in chemistry concepts via collaborative workshop of

Design Thinking for mHealth Application Co-Design to Support Heart Failure Self-Management.

Science.gov (United States)

Woods, Leanna; Cummings, Elizabeth; Duff, Jed; Walker, Kim

2017-01-01

Heart failure is a prevalent, progressive chronic disease costing in excess of $1billion per year in Australia alone. Disease self-management has positive implications for the patient and decreases healthcare usage. However, adherence to recommended guidelines is challenging and existing literature reports sub-optimal adherence. mHealth applications in chronic disease education have the potential to facilitate patient enablement for disease self-management. To the best of our knowledge no heart failure self-management application is available for safe use by our patients. In this paper, we present the process established to co-design a mHealth application in support of heart-failure self-management. For this development, an interdisciplinary team systematically proceeds through the phases of Stanford University's Design Thinking process; empathise, define, ideate, prototype and test with a user-centred philosophy. Using this clinician-led heart failure app research as a case study, we describe a sequence of procedures to engage with local patients, carers, software developers, eHealth experts and clinical colleagues to foster rigorously developed and locally relevant patient-facing mHealth solutions. Importantly, patients are engaged in each stage with ethnographic interviews, a series of workshops and multiple re-design iterations.

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)

Curriculum Outline for Introduction to Engineering Chemistry. Second Edition. Review Cycle-Annual.

Science.gov (United States)

Schlenker, Richard M.

Introduction to Engineering Chemistry is a four-credit hour (one semester) course designed to introduce marine engineering students to the rudiments of basic (introductory) inorganic chemistry. The course consists of 18 units (numbered 1.0 through 18.0) focusing on these subject areas: fundamental concepts; structure of the atom and the periodic…

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.

Designing eHealth that Matters via a Multidisciplinary Requirements Development Approach.

Science.gov (United States)

Van Velsen, Lex; Wentzel, Jobke; Van Gemert-Pijnen, Julia Ewc

2013-06-24

Requirements development is a crucial part of eHealth design. It entails all the activities devoted to requirements identification, the communication of requirements to other developers, and their evaluation. Currently, a requirements development approach geared towards the specifics of the eHealth domain is lacking. This is likely to result in a mismatch between the developed technology and end user characteristics, physical surroundings, and the organizational context of use. It also makes it hard to judge the quality of eHealth design, since it makes it difficult to gear evaluations of eHealth to the main goals it is supposed to serve. In order to facilitate the creation of eHealth that matters, we present a practical, multidisciplinary requirements development approach which is embedded in a holistic design approach for eHealth (the Center for eHealth Research roadmap) that incorporates both human-centered design and business modeling. Our requirements development approach consists of five phases. In the first, preparatory, phase the project team is composed and the overall goal(s) of the eHealth intervention are decided upon. Second, primary end users and other stakeholders are identified by means of audience segmentation techniques and our stakeholder identification method. Third, the designated context of use is mapped and end users are profiled by means of requirements elicitation methods (eg, interviews, focus groups, or observations). Fourth, stakeholder values and eHealth intervention requirements are distilled from data transcripts, which leads to phase five, in which requirements are communicated to other developers using a requirements notation template we developed specifically for the context of eHealth technologies. The end result of our requirements development approach for eHealth interventions is a design document which includes functional and non-functional requirements, a list of stakeholder values, and end user profiles in the form of

Gas-grain chemistry in cold interstellar cloud cores with a microscopic Monte Carlo approach to surface chemistry

Science.gov (United States)

Chang, Q.; Cuppen, H. M.; Herbst, E.

2007-07-01

Aims:We have recently developed a microscopic Monte Carlo approach to study surface chemistry on interstellar grains and the morphology of ice mantles. The method is designed to eliminate the problems inherent in the rate-equation formalism to surface chemistry. Here we report the first use of this method in a chemical model of cold interstellar cloud cores that includes both gas-phase and surface chemistry. The surface chemical network consists of a small number of diffusive reactions that can produce molecular oxygen, water, carbon dioxide, formaldehyde, methanol and assorted radicals. Methods: The simulation is started by running a gas-phase model including accretion onto grains but no surface chemistry or evaporation. The starting surface consists of either flat or rough olivine. We introduce the surface chemistry of the three species H, O and CO in an iterative manner using our stochastic technique. Under the conditions of the simulation, only atomic hydrogen can evaporate to a significant extent. Although it has little effect on other gas-phase species, the evaporation of atomic hydrogen changes its gas-phase abundance, which in turn changes the flux of atomic hydrogen onto grains. The effect on the surface chemistry is treated until convergence occurs. We neglect all non-thermal desorptive processes. Results: We determine the mantle abundances of assorted molecules as a function of time through 2 × 105 yr. Our method also allows determination of the abundance of each molecule in specific monolayers. The mantle results can be compared with observations of water, carbon dioxide, carbon monoxide, and methanol ices in the sources W33A and Elias 16. Other than a slight underproduction of mantle CO, our results are in very good agreement with observations.

Ionic Liquids in Polymer Design: From Energy to Health

Science.gov (United States)

2016-10-19

of Papers published in non peer- reviewed journals: Final Report: Ionic Liquids in Polymer Design: From Energy to Health Report Title ACS Symposium...SECURITY CLASSIFICATION OF: ACS Symposium: Ionic Liquids in Polymer Design: From Energy to Health at Fall 2015 ACS Meeting in Boston, MA The...combination of ionic liquids and polymers has emerged as an active field of exploration in polymer science, where new materials have be realized for

Using a Deliberation of Energy Policy as an Educational Tool in a Nonmajors Chemistry Course

Science.gov (United States)

Drury, Sara A. Mehltretter; Stucker, Kyle; Douglas, Anthony; Rush, Ryan A.; Novak, Walter R. P.; Wysocki, Laura M.

2016-01-01

A central goal of nonmajors chemistry courses is to instill within students the sense that chemistry does not occur in a vacuum but rather permeates everyday life. To encourage students to consider chemistry within the broader context of society and public policy, a week-long module in a survey course for nonmajors was designed to connect…

More Chemistry with Light! More Light in Chemistry!

Science.gov (United States)

Bach, Thorsten

2015-09-21

"…︁ Why is chemistry overlooked when talking about light? Is the photon a physical particle per se? Are all important light-induced processes biological? Maybe the role of light for chemistry and the role of chemistry for light may be far less important than a few eccentric scientists would like to believe. From the perspective of a synthetically oriented photochemist, however, the facts are different …︁" Read more in the Editorial by Thorsten Bach. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

chemf: A purely functional chemistry toolkit.

Science.gov (United States)

Höck, Stefan; Riedl, Rainer

2012-12-20

Although programming in a type-safe and referentially transparent style offers several advantages over working with mutable data structures and side effects, this style of programming has not seen much use in chemistry-related software. Since functional programming languages were designed with referential transparency in mind, these languages offer a lot of support when writing immutable data structures and side-effects free code. We therefore started implementing our own toolkit based on the above programming paradigms in a modern, versatile programming language. We present our initial results with functional programming in chemistry by first describing an immutable data structure for molecular graphs together with a couple of simple algorithms to calculate basic molecular properties before writing a complete SMILES parser in accordance with the OpenSMILES specification. Along the way we show how to deal with input validation, error handling, bulk operations, and parallelization in a purely functional way. At the end we also analyze and improve our algorithms and data structures in terms of performance and compare it to existing toolkits both object-oriented and purely functional. All code was written in Scala, a modern multi-paradigm programming language with a strong support for functional programming and a highly sophisticated type system. We have successfully made the first important steps towards a purely functional chemistry toolkit. The data structures and algorithms presented in this article perform well while at the same time they can be safely used in parallelized applications, such as computer aided drug design experiments, without further adjustments. This stands in contrast to existing object-oriented toolkits where thread safety of data structures and algorithms is a deliberate design decision that can be hard to implement. Finally, the level of type-safety achieved by Scala highly increased the reliability of our code as well as the productivity of

Power plant cycle chemistry - a currently neglected power plant chemistry discipline

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

Power plant cycle chemistry seems to be a stepchild at both utilities and universities and research organizations. It is felt that other power plant chemistry disciplines are more important. The last International Power Cycle Chemistry Conference in Prague may be cited as an example. A critical review of the papers presented at this conference seems to confirm the above-mentioned statements. This situation is very unsatisfactory and has led to an increasing number of component failures and instances of damage to major cycle components. Optimization of cycle chemistry in fossil power plants undoubtedly results in clear benefits and savings with respect to operating costs. It should be kept in mind that many seemingly important chemistry-related issues lose their importance during forced outages of units practicing faulty plant cycle chemistry. (orig.)

Integration of Video-Based Demonstrations to Prepare Students for the Organic Chemistry Laboratory

Science.gov (United States)

Nadelson, Louis S.; Scaggs, Jonathan; Sheffield, Colin; McDougal, Owen M.

2015-01-01

Consistent, high-quality introductions to organic chemistry laboratory techniques effectively and efficiently support student learning in the organic chemistry laboratory. In this work, we developed and deployed a series of instructional videos to communicate core laboratory techniques and concepts. Using a quasi-experimental design, we tested the…

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.

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.)

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.

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

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.

Touring the Tomato: A Suite of Chemistry Laboratory Experiments

Science.gov (United States)

Sarkar, Sayantani; Chatterjee, Subhasish; Medina, Nancy; Stark, Ruth E.

2013-01-01

An eight-session interdisciplinary laboratory curriculum has been designed using a suite of analytical chemistry techniques to study biomaterials derived from an inexpensive source such as the tomato fruit. A logical

Presidential Green Chemistry Challenge: 2006 Greener Reaction Conditions Award

Science.gov (United States)

Presidential Green Chemistry Challenge 2006 award winner, Codexis, directed the evolution of three designer enzymes to produce the key chiral building block for atorvastatin, the active ingredient in the drug Lipitor.

From loquacious to reticent: understanding patient health information communication to guide consumer health IT design.

Science.gov (United States)

Valdez, Rupa S; Guterbock, Thomas M; Fitzgibbon, Kara; Williams, Ishan C; Wellbeloved-Stone, Claire A; Bears, Jaime E; Menefee, Hannah K

2017-07-01

It is increasingly recognized that some patients self-manage in the context of social networks rather than alone. Consumer health information technology (IT) designed to support socially embedded self-management must be responsive to patients' everyday communication practices. There is an opportunity to improve consumer health IT design by explicating how patients currently leverage social media to support health information communication. The objective of this study was to determine types of health information communication patterns that typify Facebook users with chronic health conditions to guide consumer health IT design. Seven hundred participants with type 2 diabetes were recruited through a commercial survey access panel. Cluster analysis was used to identify distinct approaches to health information communication both on and off Facebook. Analysis of variance (ANOVA) methods were used to identify demographic and behavioral differences among profiles. Secondary analysis of qualitative interviews ( n  = 25) and analysis of open-ended survey questions were conducted to understand participant rationales for each profile. Our analysis yielded 7 distinct health information communication profiles. Five of 7 profiles had consistent patterns both on and off Facebook, while the remaining 2 demonstrated distinct practices, with no health information communication on Facebook but some off Facebook. One profile was distinct from all others in both health information communication practices and demographic composition. Rationales for following specific health information communication practices were categorized under 6 themes: altruism, instrumental support, social support, privacy and stigma, convenience, and Facebook knowledge. Facebook has been widely adopted for health information communication; This study demonstrates that Facebook has been widely adopted for health information communication. It also shows that the ways in which patients communicate health

Progress report 1989-1990. Reactors Chemistry Department

International Nuclear Information System (INIS)

1991-01-01

This paper presents a review of the activities performed by the Reactors Chemistry Department of the Argentine National Atomic Energy Commission during 1989-1990. This department provides scientific-technical services and assistance in all chemical problems related to design, construction, commissioning and decommissioning of nuclear power plants

The randomised controlled trial design: unrecognized opportunities for health sciences librarianship.

Science.gov (United States)

Eldredge, Jonathan D

2003-06-01

to describe the essential components of the Randomised Controlled Trial (RCT) and its major variations; to describe less conventional applications of the RCT design found in the health sciences literature with potential relevance to health sciences librarianship; to discuss the limited number of RCTs within health sciences librarianship. narrative review supported to a limited extent with PubMed and Library Literature database searches consistent with specific search parameters. In addition, more systematic methods, including handsearching of specific journals, to identify health sciences librarianship RCTs. While many RCTs within the health sciences follow more conventional patterns, some RCTs assume certain unique features. Selected examples illustrate the adaptations of this experimental design to answering questions of possible relevance to health sciences librarians. The author offers several strategies for controlling bias in library and informatics applications of the RCT and acknowledges the potential of the electronic era in providing many opportunities to utilize the blinding aspects of RCTs. RCTs within health sciences librarianship inhabit a limited number of subject domains such as education. This limited scope offers both advantages and disadvantages for making Evidence-Based Librarianship (EBL) a reality. The RCT design offers the potential to answer far more EBL questions than have been addressed by the design to date. Librarians need only extend their horizons through use of the versatile RCT design into new subject domains to facilitate making EBL a reality.

Personas: The Linking Pin in Holistic Design for eHealth

NARCIS (Netherlands)

van Velsen, Lex Stefan; van Gemert-Pijnen, Julia E.W.C.; Nijland, N.; Beaujean, Desirée; van Steenbergen, Jim

2012-01-01

Personas, lively descriptions of distinctive user groups for a technology, have the potential to be a useful tool for designing useful and usable eHealth services. In this paper we discuss the role of personas in a holistic design approach for eHealth: the CeHRes roadmap. We show, using the case of

Materials of the yearly scientific assembly of the Polish Chemical Society - Torun'93: chemistry of new materials

International Nuclear Information System (INIS)

1993-01-01

Scientific conference accompanied the assembly of Polish Chemical Society has been held in 1993 in Torun. The conference has been divided into 12 sections and 4 symposia covering the most important research fields in chemistry. The general view on scientific progress has been presented during the plenary session. Then proceedings have performed in specialist sessions on: contemporary methods in organic chemistry chemistry, chemistry and physico-chemistry of polymers, coordination chemistry state-of-the-art prospects, absorption and absorbents, new chemical technologies of organic compounds, new chemical technologies of inorganic compounds, environment protection, new methods in analytical chemistry, photochemistry and chemical kinetics, crystallochemistry, history of chemistry and didactics, new substances in health protection, membranes and membrane techniques, electroactive organic compounds, zeolites - material properties

Bioorthogonal chemistry: strategies and recent development

Science.gov (United States)

Ramil, Carlo P.; Lin, Qing

2013-01-01

The use of covalent chemistry to track biomolecules in their native environment—a focus of bioorthogonal chemistry—has received considerable interests recently among chemical biologists and organic chemists alike. To facilitate wider adoption of bioorthogonal chemistry in biomedical research, a central effort in the last few years has been focused on the optimization of a few known bioorthogonal reactions, particularly with respective to reaction kinetics improvement, novel genetic encoding systems, and fluorogenic reactions for bioimaging. During these optimizations, three strategies have emerged, including the use of ring strain for substrate activation in the cycloaddition reactions, the discovery of new ligands and privileged substrates for accelerated metal-catalysed reactions, and the design of substrates with pre-fluorophore structures for rapid “turn-on” fluorescence after selective bioorthogonal reactions. In addition, new bioorthogonal reactions based on either modified or completely unprecedented reactant pairs have been reported. Finally, increasing attention has been directed toward the development of mutually exclusive bioorthogonal reactions and their applications in multiple labeling of a biomolecule in cell culture. In this feature article, we wish to present the recent progress in bioorthogonal reactions through the selected examples that highlight the above-mentioned strategies. Considering increasing sophistication in bioorthogonal chemistry development, we strive to project several exciting opportunities where bioorthogonal chemistry can make a unique contribution to biology in near future. PMID:24145483

Design for behaviour change for health and wellbeing

NARCIS (Netherlands)

Ludden, Geke; Cain, Rebecca; MacKrill, James; Allen, Frances; Niedderer, Kristina; Clune, Stephen; Ludden, Geke

2017-01-01

With an ageing population, increase in stress-related diseases and unhealthy lifestyles, to name but a few, there are a myriad of challenges for improving both health and wellbeing of people. These challenges might be addressed by design. Design within this domain can aim to elicit positive

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.

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.

Developing Communication Confidence and Professional Identity in Chemistry through International Online Collaborative Learning

Science.gov (United States)

Skagen, Darlene; McCollum, Brett; Morsch, Layne; Shokoples, Brandon

2018-01-01

The use of online collaborative assignments (OCAs) between two flipped organic chemistry classrooms, one in Canada and the other in the United States, was examined for impact on learners. The intervention was designed to support content mastery, aid in increasing students' communication skills through chemistry drawing and verbalization,…

The Integration of Green Chemistry Experiments with Sustainable Development Concepts in Pre-Service Teachers' Curriculum: Experiences from Malaysia

Science.gov (United States)

Karpudewan, Mageswary; Ismail, Zurida Hg; Mohamed, Norita

2009-01-01

Purpose: The purpose of this paper is to introduce green chemistry experiments as laboratory-based pedagogy and to evaluate effectiveness of green chemistry experiments in delivering sustainable development concepts (SDCs) and traditional environmental concepts (TECs). Design/methodology/approach: Repeated measure design was employed to evaluate…

Data Requirements and the Basis for Designing Health Information Kiosks.

Science.gov (United States)

Afzali, Mina; Ahmadi, Maryam; Mahmoudvand, Zahra

2017-09-01

Health kiosks are an innovative and cost-effective solution that organizations can easily implement to help educate people. To determine the data requirements and basis for designing health information kiosks as a new technology to maintain the health of society. By reviewing the literature, a list of information requirements was provided in 4 sections (demographic information, general information, diagnostic information and medical history), and questions related to the objectives, data elements, stakeholders, requirements, infrastructures and the applications of health information kiosks were provided. In order to determine the content validity of the designed set, the opinions of 2 physicians and 2 specialists in medical informatics were obtained. The test-retest method was used to measure its reliability. Data were analyzed using SPSS software. In the proposed model for Iran, 170 data elements in 6 sections were presented for experts' opinion, which ultimately, on 106 elements, a collective agreement was reached. To provide a model of health information kiosk, creating a standard data set is a critical point. According to a survey conducted on the various literature review studies related to the health information kiosk, the most important components of a health information kiosk include six categories; information needs, data elements, applications, stakeholders, requirements and infrastructure of health information kiosks that need to be considered when designing a health information kiosk.

Radiation Chemistry and Physical Chemistry of Chitosan and Other Polysaccharides. Fundamental Studies and Practical Applications

International Nuclear Information System (INIS)

Rosiak, Janusz M.; Czechowska-Biskup, Renata; Rokita, Bożena; Olejnik, Alicja K.

2010-01-01

This report summarizes the second year of activities performed at the Institute of Applied Radiation Chemistry (IARC) within the framework of the CRP project. It consists of two parts. Part I is a brief account of the activities related to design, tests, sample procurement and characterization and formulation of “Protocol for determination of intrinsic viscosity of chitosan” designed to be the basis of the interlaboratory study on viscometric determination of chitosan molecular weight as well as on radiation degradation of chitosan in controlled conditions. Part II contains the text of the Protocol, and is given in the Annex. (author)

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

Synergistic relationships between Analytical Chemistry and written standards.

Science.gov (United States)

Valcárcel, Miguel; Lucena, Rafael

2013-07-25

This paper describes the mutual impact of Analytical Chemistry and several international written standards (norms and guides) related to knowledge management (CEN-CWA 14924:2004), social responsibility (ISO 26000:2010), management of occupational health and safety (OHSAS 18001/2), environmental management (ISO 14001:2004), quality management systems (ISO 9001:2008) and requirements of the competence of testing and calibration laboratories (ISO 17025:2004). The intensity of this impact, based on a two-way influence, is quite different depending on the standard considered. In any case, a new and fruitful approach to Analytical Chemistry based on these relationships can be derived. Copyright © 2013 Elsevier B.V. All rights reserved.

Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry

Science.gov (United States)

Kubiatko, Milan

2015-01-01

Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

Using design science and artificial intelligence to improve health communication: ChronologyMD case example.

Science.gov (United States)

Neuhauser, Linda; Kreps, Gary L; Morrison, Kathleen; Athanasoulis, Marcos; Kirienko, Nikolai; Van Brunt, Deryk

2013-08-01

This paper describes how design science theory and methods and use of artificial intelligence (AI) components can improve the effectiveness of health communication. We identified key weaknesses of traditional health communication and features of more successful eHealth/AI communication. We examined characteristics of the design science paradigm and the value of its user-centered methods to develop eHealth/AI communication. We analyzed a case example of the participatory design of AI components in the ChronologyMD project intended to improve management of Crohn's disease. eHealth/AI communication created with user-centered design shows improved relevance to users' needs for personalized, timely and interactive communication and is associated with better health outcomes than traditional approaches. Participatory design was essential to develop ChronologyMD system architecture and software applications that benefitted patients. AI components can greatly improve eHealth/AI communication, if designed with the intended audiences. Design science theory and its iterative, participatory methods linked with traditional health communication theory and methods can create effective AI health communication. eHealth/AI communication researchers, developers and practitioners can benefit from a holistic approach that draws from theory and methods in both design sciences and also human and social sciences to create successful AI health communication. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Present status and recent improvements of water chemistry at Russian VVER plants

International Nuclear Information System (INIS)

Mamet, V.; Yurmanov, V.

2001-01-01

Water chemistry is an important contributor to reliable plant operation, safety barrier integrity, plant component lifetime, radiation safety, environmental impact. Primary and secondary water chemistry guidelines of Russian VVER plants have been modified to meet the new safety standards. At present 14 VVER units of different generation are in operation at 5 Russian NPPs. There are eight 4-loop pressurised water reactors VVER-1000 (1000 MWe) and six 6-loop pressurised water reactors VVER-440 (440 MWe). Generally, water chemistry at East European VVER plants (about 40 VVER-440 and VVER-1000 units in Ukraine, Bulgaria, Slovakia, Czech Republic, Hungary, Finland and Armenia) is similar to water chemistry at Russian VVER plants. Due to similar design and structural materials some water chemistry improvements were introduced at East European plants after they has been successfully implemented at Russian plants and vice versa. Some water chemistry improvements will be implemented at modern VVER plants under construction in Ukraine, Slovakia, Czech Republic, Iran, China, India. (R.P.)

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.

AutoClickChem: click chemistry in silico.

Directory of Open Access Journals (Sweden)

Jacob D Durrant

Full Text Available Academic researchers and many in industry often lack the financial resources available to scientists working in "big pharma." High costs include those associated with high-throughput screening and chemical synthesis. In order to address these challenges, many researchers have in part turned to alternate methodologies. Virtual screening, for example, often substitutes for high-throughput screening, and click chemistry ensures that chemical synthesis is fast, cheap, and comparatively easy. Though both in silico screening and click chemistry seek to make drug discovery more feasible, it is not yet routine to couple these two methodologies. We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. AutoClickChem can be used to produce large combinatorial libraries of compound models for use in virtual screens. As the compounds of these libraries are constructed according to the reactions of click chemistry, they can be easily synthesized for subsequent testing in biochemical assays. Additionally, in silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization. AutoClickChem is based on the pymolecule toolbox, a framework that may facilitate the development of future python-based programs that require the manipulation of molecular models. Both the pymolecule toolbox and AutoClickChem are released under the GNU General Public License version 3 and are available for download from http://autoclickchem.ucsd.edu.

AutoClickChem: click chemistry in silico.

Science.gov (United States)

Durrant, Jacob D; McCammon, J Andrew

2012-01-01

Academic researchers and many in industry often lack the financial resources available to scientists working in "big pharma." High costs include those associated with high-throughput screening and chemical synthesis. In order to address these challenges, many researchers have in part turned to alternate methodologies. Virtual screening, for example, often substitutes for high-throughput screening, and click chemistry ensures that chemical synthesis is fast, cheap, and comparatively easy. Though both in silico screening and click chemistry seek to make drug discovery more feasible, it is not yet routine to couple these two methodologies. We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. AutoClickChem can be used to produce large combinatorial libraries of compound models for use in virtual screens. As the compounds of these libraries are constructed according to the reactions of click chemistry, they can be easily synthesized for subsequent testing in biochemical assays. Additionally, in silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization. AutoClickChem is based on the pymolecule toolbox, a framework that may facilitate the development of future python-based programs that require the manipulation of molecular models. Both the pymolecule toolbox and AutoClickChem are released under the GNU General Public License version 3 and are available for download from http://autoclickchem.ucsd.edu.

Selecting automation for the clinical chemistry laboratory.

Science.gov (United States)

Melanson, Stacy E F; Lindeman, Neal I; Jarolim, Petr

2007-07-01

Laboratory automation proposes to improve the quality and efficiency of laboratory operations, and may provide a solution to the quality demands and staff shortages faced by today's clinical laboratories. Several vendors offer automation systems in the United States, with both subtle and obvious differences. Arriving at a decision to automate, and the ensuing evaluation of available products, can be time-consuming and challenging. Although considerable discussion concerning the decision to automate has been published, relatively little attention has been paid to the process of evaluating and selecting automation systems. To outline a process for evaluating and selecting automation systems as a reference for laboratories contemplating laboratory automation. Our Clinical Chemistry Laboratory staff recently evaluated all major laboratory automation systems in the United States, with their respective chemistry and immunochemistry analyzers. Our experience is described and organized according to the selection process, the important considerations in clinical chemistry automation, decisions and implementation, and we give conclusions pertaining to this experience. Including the formation of a committee, workflow analysis, submitting a request for proposal, site visits, and making a final decision, the process of selecting chemistry automation took approximately 14 months. We outline important considerations in automation design, preanalytical processing, analyzer selection, postanalytical storage, and data management. Selecting clinical chemistry laboratory automation is a complex, time-consuming process. Laboratories considering laboratory automation may benefit from the concise overview and narrative and tabular suggestions provided.

Development of Chemistry Triangle Oriented Module on Topic of Reaction Rate for Senior High School Level Grade XI Chemistry Learning.

Science.gov (United States)

Sari, D. R.; Hardeli; Bayharti

2018-04-01

This study aims to produce chemistry triangle oriented module on topic of reaction rate, and to reveal the validity and practicality level of the generated module. The type of research used is EducationalDesign Research (EDR) with development model is Plompmodel. This model consists of three phases, which are preliminary research, prototyping phase, and assessment phase. The instrument used in this research is questionnaire validity and practicality. The data of the research were analyzed by using Kappa Cohen formula. The chemistry triangle oriented module validation sheet was given to 5 validators consisting of 3 chemistry lecturers and 2 high school chemistry teachers, while the practicality sheet was given to 2 chemistry teachers, 6 students of SMAN 10 Padang grade XII MIA 5 on the small groupevaluation and 25 students of SMAN 10 Padang grade XII MIA 6 on the field test. Based on the questionnaire validity analysis, the validity level of the module is very high with the value of kappa moment 0.87. The level of practicality based on teacher questionnaire response is very high category with a kappa moment value 0.96. Based on the questionnaire of student responses on small group evaluation, the level of practicality is very high category with a kappa moment 0.81, and the practicality is very high category with kappa moment value 0.83 based on questionnaire of student response on field test.

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

Designing Work, Family & Health Organizational Change Initiatives.

Science.gov (United States)

Kossek, Ellen Ernst; Hammer, Leslie B; Kelly, Erin L; Moen, Phyllis

2014-01-01

For decades, leaders and scholars have been advocating change efforts to improve work-life relationships. Yet most initiatives have lacked rigor and not been developed using scientific principles. This has created an evidence gap for employer support of work and personal life as a win-win for productivity and employees' well-being. This paper examines the approach used by the U.S. Work Family Health Network (WFRN) to develop an innovative workplace intervention to improve employee and family health. The change initiative was designed to reduce organizationally based work-family conflict in two contrasting contexts representative of major segments of today's U.S. workforce: health care employees and informational technology professionals. The WFRN Intervention (called STAR) had three theoretically based change elements. They were: 1) increase job control over work time and schedule; 2) increase supervisor social support for family and job effectiveness; and 3) improve organizational culture and job design processes to foster results orientation. Seven practical lessons for developing work-life interventions emerged from this groundbreaking endeavor.

Fruit and vegetable phytochemicals: chemistry, nutritional value, and stability

National Research Council Canada - National Science Library

González-Aguilar, Gustavo A; Rosa, Laura A. de la; Alvarez-Parrilla, Emilio

2010-01-01

... and Their Relation to Human Health Alma E. Robles-Sardin, Adriana Ver´ o nica Bola˜ n os-Villar, Gustavo A. Gonz´ a lez-Aguilar, and Laura A. de la Rosa 155 Chapter 7. Chemistry, Stability, and Biological Actions ...

Radiochemistry and nuclear chemistry

CERN Document Server

Choppin, Gregory; RYDBERG, JAN; Ekberg, Christian

2013-01-01

Radiochemistry or nuclear chemistry is the study of radiation from an atomic and molecular perspective, including elemental transformation and reaction effects, as well as physical, health and medical properties. This revised edition of one of the earliest and best-known books on the subject has been updated to bring into teaching the latest developments in research and the current hot topics in the field. To further enhance the functionality of this text, the authors have added numerous teaching aids, examples in MathCAD with variable quantities and options, hotlinks to relevant text secti

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

Full Text Available The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

2015-06-12

The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

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

Double-Loop Health Technology: Enabling Socio-technical Design of Personal Health Technology in Clinical Practice

DEFF Research Database (Denmark)

Bardram, Jakob Eyvind; Frost, Mads

2018-01-01

present a case of designing personal health technology for mental health, which is integrated into hospital-based treatment. This system helps patients to manage their disease by tracking and correlation behavior and disease progression and provide feedback to them, while also deployed as part......Personal health technology is rapidly emerging as a response to the challenges associated with significant increase in chronic noncommunicable diseases. The overall design paradigm behind most of these applications is to manually and automatically sample data from sensors and smartphones and use...... this to provide patients with an awareness of their illness and give recommendation for treatment, care, and healthy living. Few of these systems are, however, designed to be part of a complex socio-technical care and treatment processes in existing healthcare systems and clinical pathways. In this chapter, we...

Design health village with the approach of sustainable architecture ...

African Journals Online (AJOL)

Journal Home > Vol 8, No 3 (2016) > ... a natural environment and away from the pollution of urban life , traditional medical care, hydrotherapy, sports and ... Keywords: Health; city health; smart; sustainability in architecture; architectural design ...

Effectiveness of Case-Based Learning Instruction on Epistemological Beliefs and Attitudes toward Chemistry

Science.gov (United States)

Cam, Aylin; Geban, Omer

2011-01-01

The purpose of the study was to investigate the effectiveness of case-based learning instruction over traditionally designed chemistry instruction on eleventh grade students' epistemological beliefs and their attitudes toward chemistry as a school subject. The subjects of this study consisted of 63 eleventh grade students from two intact classes…

From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

Directory of Open Access Journals (Sweden)

LEONARDO G. FERREIRA

2018-02-01

Full Text Available ABSTRACT Scientific and technological breakthroughs have compelled the current players in drug discovery to increasingly incorporate knowledge-based approaches. This evolving paradigm, which has its roots attached to the recent advances in medicinal chemistry, molecular and structural biology, has unprecedentedly demanded the development of up-to-date computational approaches, such as bio- and chemo-informatics. These tools have been pivotal to catalyzing the ever-increasing amount of data generated by the molecular sciences, and to converting the data into insightful guidelines for use in the research pipeline. As a result, ligand- and structure-based drug design have emerged as key pathways to address the pharmaceutical industry’s striking demands for innovation. These approaches depend on a keen integration of experimental and molecular modeling methods to surmount the main challenges faced by drug candidates - in vivo efficacy, pharmacodynamics, metabolism, pharmacokinetics and safety. To that end, the Laboratório de Química Medicinal e Computacional (LQMC of the Universidade de São Paulo has developed forefront research on highly prevalent and life-threatening neglected tropical diseases and cancer. By taking part in global initiatives for pharmaceutical innovation, the laboratory has contributed to the advance of these critical therapeutic areas through the use of cutting-edge strategies in medicinal chemistry.

Effectiveness of Analogy Instructional Strategy on Undergraduate Student's Acquisition of Organic Chemistry Concepts in Mutah University, Jordan

Science.gov (United States)

Samara, Nawaf Ahmad Hasan

2016-01-01

This study aimed at investigating the effectiveness of analogy instructional strategy on undergraduate students' acquisition of organic chemistry concepts in Mutah University, Jordan. A quasi-experimental design was used in the study; Participants were 97 students who enrolled in organic chemistry course at the department of chemistry during the…

Tracking chemistry self-efficacy and achievement in a preparatory chemistry course

Science.gov (United States)

Garcia, Carmen Alicia

Self-efficacy is a person's own perception about performing a task with a certain level of proficiency (Bandura, 1986). An important affective aspect of learning chemistry is chemistry self-efficacy (CSE). Several researchers have found chemistry self-efficacy to be a fair predictor of achievement in chemistry. This study was done in a college preparatory chemistry class for science majors exploring chemistry self-efficacy and its change as it relates to achievement. A subscale of CAEQ, Chemistry Attitudes and Experiences Questionnaire (developed by Dalgety et al, 2003) as well as student interviews were used to determine student chemistry self-efficacy as it changed during the course. The questionnaire was given to the students five times during the semester: in the first class and the class before each the four tests taken through the semester. Twenty-six students, both men and women, of the four major races/ethnicities were interviewed three times during the semester and events that triggered changes in CSE were followed through the interviews. HLM (hierarchical linear modeling) was used to model the results of the CSE surveys. Among the findings, women who started at significantly lower CSE than men accomplished a significant gain by the end of the semester. Blacks' CSE trends through the semester were found to be significantly different from the rest of the ethnicities.

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.

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.

Implicit Communication of Food Product Healthfulness through Package Design: A Content Analysis

DEFF Research Database (Denmark)

Festila, Alexandra; Chrysochou, Polymeros

2018-01-01

of twelve food product categories across two countries (Denmark and USA), our findings indicate that: (a) implicit package design elements (colors, imagery, material, shape) differ between health-positioned and regular products, and (b) these differences are product category-specific rather than universal......How do food companies use package design to communicate healthfulness? The present study addresses this question by investigating the most typical implicit package design elements used by food companies for their health-positioned food products. Using a content analysis on the packaging design...

Proceedings of DAE-BRNS national workshop on materials chemistry: functional materials

International Nuclear Information System (INIS)

2011-12-01

Design and development of materials with tailored properties assumes great significance in our everyday life and are crucial to modern technologies. Chemistry has had a tremendous Convener role in developing several need based materials by integrating multiple functionalities. The year 2011, being recognised as the International Year of Chemistry by the UNESCO, assumes further significance for material chemists. In view of the renowned interest in advanced functional materials, the Society for Materials Chemistry, India together with Chemistry Division, BARC has taken an initiative to organise this National Workshop on Materials Chemistry (NWMC-2011) under the theme 'Functional Materials (FUN-MAT)'. NWMC- 2011 aims to provide a forum for young researchers to interact with experts involved in synthesis, processing and applications of various advanced functional materials. In particular, recent developments and future prospects of magnetic, electronic and optical materials, glasses, ceramics, soft materials, materials for sensors, materials for hydrogen production and storage etc. will be addressed in this workshop. Papers relevant to INIS are indexed separately

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.

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)

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.

Acidic and basic drugs in medicinal chemistry: a perspective.

Science.gov (United States)

Charifson, Paul S; Walters, W Patrick

2014-12-11

The acid/base properties of a molecule are among the most fundamental for drug action. However, they are often overlooked in a prospective design manner unless it has been established that a certain ionization state (e.g., quaternary base or presence of a carboxylic acid) appears to be required for activity. In medicinal chemistry optimization programs it is relatively common to attenuate basicity to circumvent undesired effects such as lack of biological selectivity or safety risks such as hERG or phospholipidosis. However, teams may not prospectively explore a range of carefully chosen compound pKa values as part of an overall chemistry strategy or design hypothesis. This review summarizes the potential advantages and disadvantages of both acidic and basic drugs and provides some new analyses based on recently available public data.

The Effect of Teacher Performance in Implementation of The 2013 Curriculum Toward Chemistry Learning Achievement

Science.gov (United States)

Dewi, L. P.; Djohar, A.

2018-04-01

This research is a study about implementation of the 2013 Curriculum on Chemistry subject. This study aims to determine the effect of teacher performance toward chemistry learning achievement. The research design involves the independent variable, namely the performance of Chemistry teacher, and the dependent variable that is Chemistry learning achievement which includes the achievement in knowledge and skill domain. The subject of this research are Chemistry teachers and High School students in Bandung City. The research data is obtained from questionnaire about teacher performance assessed by student and Chemistry learning achievement from the students’ report. Data were analyzed by using MANOVA test. The result of multivariate significance test shows that there is a significant effect of teacher performance toward Chemistry learning achievement in knowledge and skill domain with medium effect size.

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...

Current status and future prospects for enabling chemistry technology in the drug discovery process.

Science.gov (United States)

Djuric, Stevan W; Hutchins, Charles W; Talaty, Nari N

2016-01-01

This review covers recent advances in the implementation of enabling chemistry technologies into the drug discovery process. Areas covered include parallel synthesis chemistry, high-throughput experimentation, automated synthesis and purification methods, flow chemistry methodology including photochemistry, electrochemistry, and the handling of "dangerous" reagents. Also featured are advances in the "computer-assisted drug design" area and the expanding application of novel mass spectrometry-based techniques to a wide range of drug discovery activities.

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.

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.

Advances in nuclear chemistry and its applications in the Philippines

International Nuclear Information System (INIS)

Dela Rosa, Alumanda M.

2015-01-01

Nuclear chemistry was born almost 120 years ago with the discovery of radioactivity by Antoine Henry Becquerel in 1896. Nuclear chemistry is a subfield of chemistry that deals with radioactivity, nuclear reactions and processes, and nuclear properties. The composition of the nucleus and the changes that occur within the nucleus define the properties of the radioisotope and the nuclear reactions and processes it is involved in. Almost six decades ago, nuclear chemistry established its roots in the Philippines under the Philippine Atomic Energy Commission, presently the Philippine Nuclear Research Institute. The main areas of nuclear chemistry, namely, namely radiochemistry, radiation chemistry, radiation biology, and isotopic chemistry have been studies, and have found applications in food and agriculture, medicine and health, in idustry, and in the protection of the environment. Early work in nuclear chemistry utilized the Philippine Research Reactor (PRR-1) for the production of radioisotopes which were used in either research or direct applications in food and agriculture, health and medicine, and industry. The PRR-1 provided neutrons for the non destructive multi element analysis of various samples using the neutron activation analysis technique. Radioactive materials as sources of ionizing radiation are being used extensively to study the chemical and biological effects of radiation on matter. Current studies involve the irradiation of certain plants and insects causing changes in their DNA which result in mutation for better crop varieties and sterility in insects for quarantine treatment and pest management. Radiation can modify the properties of polymers. Natural polymers such as carrageenan, chitosan and cellulose in abaca and water hyacinth fibers are subjected to gamma irradiation changing their properties and resulting in new products such as wound drressing, hemostatic agents, plant growth promoters, and metal-chelating agents. Radioisotopes are also

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...

Microlearning mApp raises health competence: hybrid service design.

Science.gov (United States)

Simons, Luuk P A; Foerster, Florian; Bruck, Peter A; Motiwalla, Luvai; Jonker, Catholijn M

Work place health support interventions can help support our aging work force, with mApps offering cost-effectiveness opportunities. Previous research shows that health support apps should offer users enough newness and relevance each time they are used. Otherwise the 'eHealth law of attrition' applies: 90 % of users are lost prematurely. Our research study builds on this prior research with further investigation on whether a mobile health quiz provides added value for users within a hybrid service mix and whether it promotes long term health? We developed a hybrid health support intervention solution that uses a mix of electronic and physical support services for improving health behaviours, including a mobile micro-learning health quiz. This solution was evaluated in a multiple-case study at three work sites with 86 users. We find that both our mobile health quiz and the overall hybrid solution contributed to improvements in health readiness, -behaviour and -competence. Users indicated that the micro-learning health quiz courses provided new and relevant information. Relatively high utilization rates of the health quiz were observed. Participants indicated that health insights were given that directly influenced every day health perceptions, -choices, coping and goal achievement strategies, plus motivation and self-norms. This points to increased user health self-management competence. Moreover, even after 10 months they indicated to still have improved health awareness, -motivation and -behaviours (food, physical activity, mental recuperation). A design analysis was conducted regarding service mix efficacy; the mobile micro-learning health quiz helped fulfil a set of key requirements that exist for designing ICT-enabled lifestyle interventions, largely in the way it was anticipated.

Towards a framework for a professional development programme: empowering teachers for context-based chemistry education.

NARCIS (Netherlands)

Stolk, M.; Bulte, A.M.W.; de Jong, O.; Pilot, A.

2009-01-01

The aim of this study is to develop a framework for professional development programmes that empowers chemistry teachers to teach and design context-based chemistry curricula. Firstly, teachers involvement, their concerns and their professional development in several context-based curriculum

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,

Designing a Health-Game Intervention Supporting Health Literacy and a Tobacco-Free Life in Early Adolescence.

Science.gov (United States)

Parisod, Heidi; Pakarinen, Anni; Axelin, Anna; Danielsson-Ojala, Riitta; Smed, Jouni; Salanterä, Sanna

2017-08-01

The purpose of this study was to explore the design of a health game that aims to both support tobacco-related health literacy and a tobacco-free life in early adolescence and to meet adolescents' expectations. Data were collected from adolescents using an open-ended questionnaire (n = 83) and focus groups (n = 39) to obtain their view of a health game used for tobacco-related health education. The data were analyzed using thematic analysis. A group of experts combined the adolescents' views with theoretical information on health literacy and designed and produced the first version of the game. Adolescents (session 1, n = 16; session 3, n = 10; and session 4, n = 44) and health promotion professionals (session 2, n = 3) participated in testing the game. Feedback from testing sessions 3 and 4 was analyzed using descriptive statistics. Adolescents pointed out that the health game needs to approach the topic of tobacco delicately and focus on the adolescents' perspective and on the positive sides of a tobacco-free life rather than only on the negative consequences of tobacco. The adolescents expected the game to be of high quality, stimulating, and intellectually challenging and to offer possibilities for individualization. Elements from the adolescents' view and theoretical modelling were embedded into the design of a game called Fume. Feedback on the game was promising, but some points were highlighted for further development. Investing especially in high-quality design features, such as graphics and versatile content, using humoristic or otherwise stimulating elements, and maintaining sufficiently challenging gameplay would promote the acceptability of theory-based health games among adolescents.

Design Features in Games for Health: Disciplinary and Interdisciplinary Expert Perspectives.

Science.gov (United States)

Kelley, Christina; Wilcox, Lauren; Ng, Wendy; Schiffer, Jade; Hammer, Jessica

2017-06-01

Games for health (G4H) aim to improve health outcomes and encourage behavior change. While existing theoretical frameworks describe features of both games and health interventions, there has been limited systematic investigation into how disciplinary and interdisciplinary stakeholders understand design features in G4H. We recruited 18 experts from the fields of game design, behavioral health, and games for health, and prompted them with 16 sample games. Applying methods including open card sorting and triading, we elicited themes and features (e.g., real-world interaction, game mechanics) around G4H. We found evidence of conceptual differences suggesting that a G4H perspective is not simply the sum of game and health perspectives. At the same time, we found evidence of convergence in stakeholder views, including areas where game experts provided insights about health and vice versa. We discuss how this work can be applied to provide conceptual tools, improve the G4H design process, and guide approaches to encoding G4H-related data for large-scale empirical analysis.

Design of an online health-promoting community: negotiating user community needs with public health goals and service capabilities.

Science.gov (United States)

Ekberg, Joakim; Timpka, Toomas; Angbratt, Marianne; Frank, Linda; Norén, Anna-Maria; Hedin, Lena; Andersen, Emelie; Gursky, Elin A; Gäre, Boel Andersson

2013-07-04

An online health-promoting community (OHPC) has the potential to promote health and advance new means of dialogue between public health representatives and the general public. The aim of this study was to examine what aspects of an OHPC that are critical for satisfying the needs of the user community and public health goals and service capabilities. Community-based participatory research methods were used for data collection and analysis, and participatory design principles to develop a case study OHPC for adolescents. Qualitative data from adolescents on health appraisals and perspectives on health information were collected in a Swedish health service region and classified into categories of user health information exchange needs. A composite design rationale for the OHPC was completed by linking the identified user needs, user-derived requirements, and technical and organizational systems solutions. Conflicts between end-user requirements and organizational goals and resources were identified. The most prominent health information needs were associated to food, exercise, and well-being. The assessment of the design rationale document and prototype in light of the regional public health goals and service capabilities showed that compromises were needed to resolve conflicts involving the management of organizational resources and responsibilities. The users wanted to discuss health issues with health experts having little time to set aside to the OHPC and it was unclear who should set the norms for the online discussions. OHPCs can be designed to satisfy both the needs of user communities and public health goals and service capabilities. Compromises are needed to resolve conflicts between users' needs to discuss health issues with domain experts and the management of resources and responsibilities in public health organizations.

Chemistry teaching in the new degrees of Agricultural Engineering

Science.gov (United States)

Arce, Augusto; Tarquis, Ana Maria; Castellanos, Maria Teresa; Requejo, Maria Isabel; Cartagena, Maria Carmen

2013-04-01

The academic year 2011-12 is the second one implementing Bologna process in ETSI at the subjects of Agricultural Chemistry I and Chemistry II in the new four Degrees: Graduate in Engineering and Agricultural Science, Food Engineering Graduate, Graduate Environmental and engineering Graduate in Biotechnology, for it has been necessary to design and implement new interactive methodologies in the teaching-learning process based on the use of the virtual platform of the UPM, implement new evaluation systems that promote continued participation active student and the development of educational materials to support the subjects of chemistry designed new degrees within the EEES. In addition to the above actions, an assessment test prior chemistry knowledge has been made to all students who enter into Agricultural Grades, improving laboratory practices and the comparative study of academic obtained by the students of the new grades in the subjects of chemistry during the year 2011-12 compared to the 2010-11 academic year. More than 15,000 data have showed a good correlation between the student's prior knowledge, the level test performed, test scores, the overall success rate of the course and the abandonment of the different degrees. Academic results show a higher percentage of students enrolled and presented on a greater number of passes on students enrolled in the 2011-12 academic year for students enrolled in the previous academic year. The improved results have influenced the actions taken and the level of knowledge with students entering. Finally, we propose possible solutions to fix these results in future courses, aiming to improve the degree of efficiency, success and significant absenteeism in the first year as it will condition the dropout rate of these new degrees. Acknowledgements: Proyecto de Innovación Educativa N° IE02054-11/12 UPM. 2012.

Groundwater chemistry and human health risk assessment in the mining region of East Singhbhum, Jharkhand, India.

Science.gov (United States)

Singh, Umesh Kumar; Ramanathan, A L; Subramanian, V

2018-08-01

Groundwater chemistry of mining region of East Singhbhum district having complex contaminant sources were investigated based on heavy metals loads and other hydrochemical constituents. This study aimed to identify the degree of heavy metals exposure and their potential health risk to local population. The results of hydrochemical analysis showed that Na + , K + , and Ca 2+ ions are the dominant cations in the groundwater, while HCO 3 - , F - and Cl - ions dominate the anionic part of the groundwater. The weathering process was considered the dominant factor to determine the major ionic composition in the study area. Compositional analysis for heavy metal has identified that groundwater of the study area is contaminated by Cd, Pb and Cr elements. Source of these metals have been identified as an anthropogenic inputs from mining activities and mineral processing units. Health risk analysis of individual heavy metal for chronic daily intake (CDI) and hazard quotient (HQ) was found in the order of Cr > As > Cd > Pb which is indicating high health risk for the population. In addition, Hazard Index (HI) analysis for heavy metals was found significantly high (>1) which is considered as a threat for human population because they have the tendency to accumulate in the body and cause variety of diseases like kidney problem, dysfunction of liver and renal cortex as well as cancer. Copyright © 2018 Elsevier Ltd. All rights reserved.

Are Sexual and Reproductive Health Policies Designed for All?

DEFF Research Database (Denmark)

Ivanova, Olena; Dræbel, Tania; Tellier, Siri

2015-01-01

BACKGROUND: Health policies are important instruments for improving population health. However, experience suggests that policies designed for the whole population do not always benefit the most vulnerable. Participation of vulnerable groups in the policy-making process provides an opportunity fo...

[Architecture and design of mental health institutions].

Science.gov (United States)

Richter, Dirk; Hoffmann, Holger

2014-04-01

The physical environment of mental health institutions is regarded as a therapeutic agent within the treatment. There is only little scientific evidence on the consequences of architecture and design on psychiatric patients available. A systematic review was conducted on studies from adult mental health institutions. 25 studies were included into the review. Pre-post-studies and control group conditions were predominant study designs. Randomized controlled trials were not available. Interventions reached from art installations up to entire ward renovations. Outcome indicators were rather heterogeneous, including psychopathology, behavioural observations and aggression incidents. Overwhelmingly, the studies revealed positive results of interventions into the physical environment. We found positive outcomes independent from the intervention in detail. This result should be interpreted in the light of the generally low study quality and further methodological problems. © Georg Thieme Verlag KG Stuttgart · New York.

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...

Using Computer Simulations in Chemistry Problem Solving

Science.gov (United States)

Avramiotis, Spyridon; Tsaparlis, Georgios

2013-01-01

This study is concerned with the effects of computer simulations of two novel chemistry problems on the problem solving ability of students. A control-experimental group, equalized by pair groups (n[subscript Exp] = n[subscript Ctrl] = 78), research design was used. The students had no previous experience of chemical practical work. Student…

Making Chemistry Relevant to the Engineering Major

Science.gov (United States)

Basu-Dutt, Sharmistha; Slappey, Charles; Bartley, Julie K.

2010-01-01

As part of a campus-wide, externally funded project to increase performance in, enthusiasm for, and retention within STEM disciplines, we developed an interdisciplinary, team-taught first-year seminar course. The construction and delivery of this course was designed to show the relevance of selected general chemistry topics such as matter and…

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

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)

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)

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)

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)

Social and Environmental Justice in the Chemistry Classroom

Science.gov (United States)

Lasker, Grace A.; Mellor, Karolina E.; Mullins, Melissa L.; Nesmith, Suzanne M.; Simcox, Nancy J.

2017-01-01

Despite advances in active learning pedagogy and other methods designed to increase student engagement in the chemistry classroom, retention and engagement issues still persist, particularly with respect to women and minorities underrepresented in STEM (science, technology, engineering, and mathematics) programs. Relevancy also remains elusive in…

Rethinking behavioral health processes by using design for six sigma.

Science.gov (United States)

Lucas, Anthony G; Primus, Kelly; Kovach, Jamison V; Fredendall, Lawrence D

2015-02-01

Clinical evidence-based practices are strongly encouraged and commonly utilized in the behavioral health community. However, evidence-based practices that are related to quality improvement processes, such as Design for Six Sigma, are often not used in behavioral health care. This column describes the unique partnership formed between a behavioral health care provider in the greater Pittsburgh area, a nonprofit oversight and monitoring agency for behavioral health services, and academic researchers. The authors detail how the partnership used the multistep process outlined in Design for Six Sigma to completely redesign the provider's intake process. Implementation of the redesigned process increased access to care, decreased bad debt and uncollected funds, and improved cash flow--while consumer satisfaction remained high.

Collaborative Research. Atmospheric Pressure Microplasma Chemistry-Photon Synergies

Energy Technology Data Exchange (ETDEWEB)

Park, Sung-Jin [Univ. of Illinois, Urbana, IL (United States); Eden, James Gary [Univ. of Illinois, Urbana, IL (United States)

2015-12-01

Combining the effects of low temperature, atmospheric pressure microplasmas and microplasma photon sources offers the promise of greatly expanding the range of applications for each of them. The plasma sources create active chemical species and these can be activated further by the addition of photons and the associated photochemistry. There are many ways to combine the effects of plasma chemistry and photochemistry, especially if there are multiple phases present. This project combined the construction of appropriate test experimental systems, various spectroscopic diagnostics and mathematical modeling. Through a continuous discussion and co-design process with the UC-Berkeley Team, we have successfully completed the fabrication and testing of all components for a microplasma array-assisted system designed for photon-activated plasma chemistry research. Microcavity plasma lamps capable of generating more than 20 mW/cm² at 172 nm (Xe dimer) were fabricated with a custom form factor to mate to the plasma chemistry setup, and a lamp was current being installed by the Berkeley team so as to investigate plasma chemistry-photon synergies at a higher photon energy (~7.2 eV) as compared to the UVA treatment that is afforded by UV LEDs operating at 365 nm. In particular, motivated by the promising results from the Berkeley team with UVA treatment, we also produced the first generation of lamps that can generate photons in the 300-370 nm wavelength range. Another set of experiments, conducted under the auspices of this grant, involved the use of plasma microjet arrays. The combination of the photons and excited radicals produced by the plasma column resulted in broad area deactivation of bacteria.

Connecting biology and organic chemistry introductory laboratory courses through a collaborative research project.

Science.gov (United States)

Boltax, Ariana L; Armanious, Stephanie; Kosinski-Collins, Melissa S; Pontrello, Jason K

2015-01-01

Modern research often requires collaboration of experts in fields, such as math, chemistry, biology, physics, and computer science to develop unique solutions to common problems. Traditional introductory undergraduate laboratory curricula in the sciences often do not emphasize connections possible between the various disciplines. We designed an interdisciplinary, medically relevant, project intended to help students see connections between chemistry and biology. Second term organic chemistry laboratory students designed and synthesized potential polymer inhibitors or inducers of polyglutamine protein aggregation. The use of novel target compounds added the uncertainty of scientific research to the project. Biology laboratory students then tested the novel potential pharmaceuticals in Huntington's disease model assays, using in vitro polyglutamine peptide aggregation and in vivo lethality studies in Drosophila. Students read articles from the primary literature describing the system from both chemical and biological perspectives. Assessment revealed that students emerged from both courses with a deeper understanding of the interdisciplinary nature of biology and chemistry and a heightened interest in basic research. The design of this collaborative project for introductory biology and organic chemistry labs demonstrated how the local interests and expertise at a university can be drawn from to create an effective way to integrate these introductory courses. Rather than simply presenting a series of experiments to be replicated, we hope that our efforts will inspire other scientists to think about how some aspect of authentic work can be brought into their own courses, and we also welcome additional collaborations to extend the scope of the scientific exploration. © 2015 The International Union of Biochemistry and Molecular Biology.

Atom-at-a-time chemistry

International Nuclear Information System (INIS)

Nagame, Yuichiro

2009-01-01

Several techniques of the analytical chemistry in 'Atom-at-a-time chemistry' for transactinide elements have been developed. In this report a representative example in these techniques is introduced with the results. The contents are the single-atom chemistry, the chemical experiments on transactinide elements, liquid phase chemistry (the ion exchange behavior of Rutherfordium), gas phase chemistry (the chemistry of atomic No.112 element), and future development. (M.H.)

Chemistry, Poetry, and Artistic Illustration: An Interdisciplinary Approach to Teaching and Promoting Chemistry

Science.gov (United States)

Furlan, Ping Y.; Kitson, Herbert; Andes, Cynthia

2007-10-01

This article describes a successful interdisciplinary collaboration among chemistry, humanities and English faculty members, who utilized poetry and artistic illustration to help students learn, appreciate, and enjoy chemistry. Students taking general chemistry classes were introduced to poetry writing and museum-type poster preparation during one class period. They were then encouraged to use their imagination and creativity to brainstorm and write chemistry poems or humors on the concepts and principles covered in the chemistry classes and artistically illustrate their original work on posters. The project, 2 3 months in length, was perceived by students as effective at helping them learn chemistry and express their understanding in a fun, personal, and creative way. The instructors found students listened to the directives because many posters were witty, clever, and eye-catching. They showed fresh use of language and revealed a good understanding of chemistry. The top posters were created by a mix of A-, B-, and C-level students. The fine art work, coupled with poetry, helped chemistry come alive on campus, providing an aesthetic presentation of materials that engaged the general viewer.

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

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...