Effects on Student Achievement in General Chemistry Following Participation in an Online Preparatory Course. ChemPrep, a Voluntary, Self-Paced, Online Introduction to Chemistry

Science.gov (United States)

Botch, Beatrice; Day, Roberta; Vining, William; Stewart, Barbara; Rath, Kenneth; Peterfreund, Alan; Hart, David

2007-03-01

ChemPrep was developed to be a stand-alone preparatory short-course to help students succeed in general chemistry. It is Web-based and delivered using the OWL system. Students reported that the ChemPrep materials (short information pages, parameterized questions with detailed feedback, tutorials, and answers to questions through the OWL message system) permitted them to work independently without the need for textbook or lecture. On average, students who completed ChemPrep had higher grades in the subsequent GenChem, Nursing, and Honors chemistry courses, with a greater percentage achieving a grade of C- or higher. Participation in ChemPrep was voluntary, and more women than men responded. Students in the Honors course enrolled in ChemPrep in higher percentages than students in GenChem and Nursing. SAT and departmental math placement exam scores were used as proxy measures of prior achievement and ability. Based on these, Honors chemistry ChemPrep users were on par with their peers but performed better in the course than non-users. In GenChem and Nursing chemistry courses, ChemPrep helped students of high prior achievement and ability perform better than their achievement scores would predict. Weaker or less motivated students did not respond to the voluntary offerings of ChemPrep in the same numbers as stronger or more motivated students, and we are seeking alternate ways to reach this population.

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

OrChem - An open source chemistry search engine for Oracle®

Science.gov (United States)

2009-01-01

Background Registration, indexing and searching of chemical structures in relational databases is one of the core areas of cheminformatics. However, little detail has been published on the inner workings of search engines and their development has been mostly closed-source. We decided to develop an open source chemistry extension for Oracle, the de facto database platform in the commercial world. Results Here we present OrChem, an extension for the Oracle 11G database that adds registration and indexing of chemical structures to support fast substructure and similarity searching. The cheminformatics functionality is provided by the Chemistry Development Kit. OrChem provides similarity searching with response times in the order of seconds for databases with millions of compounds, depending on a given similarity cut-off. For substructure searching, it can make use of multiple processor cores on today's powerful database servers to provide fast response times in equally large data sets. Availability OrChem is free software and can be redistributed and/or modified under the terms of the GNU Lesser General Public License as published by the Free Software Foundation. All software is available via http://orchem.sourceforge.net. PMID:20298521

OrChem - An open source chemistry search engine for Oracle(R).

Science.gov (United States)

Rijnbeek, Mark; Steinbeck, Christoph

2009-10-22

Registration, indexing and searching of chemical structures in relational databases is one of the core areas of cheminformatics. However, little detail has been published on the inner workings of search engines and their development has been mostly closed-source. We decided to develop an open source chemistry extension for Oracle, the de facto database platform in the commercial world. Here we present OrChem, an extension for the Oracle 11G database that adds registration and indexing of chemical structures to support fast substructure and similarity searching. The cheminformatics functionality is provided by the Chemistry Development Kit. OrChem provides similarity searching with response times in the order of seconds for databases with millions of compounds, depending on a given similarity cut-off. For substructure searching, it can make use of multiple processor cores on today's powerful database servers to provide fast response times in equally large data sets. OrChem is free software and can be redistributed and/or modified under the terms of the GNU Lesser General Public License as published by the Free Software Foundation. All software is available via http://orchem.sourceforge.net.

Development and Performance of the Modularized, High-performance Computing and Hybrid-architecture Capable GEOS-Chem Chemical Transport Model

Science.gov (United States)

Long, M. S.; Yantosca, R.; Nielsen, J.; Linford, J. C.; Keller, C. A.; Payer Sulprizio, M.; Jacob, D. J.

2014-12-01

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been reengineered to serve as a platform for a range of computational atmospheric chemistry science foci and applications. Development included modularization for coupling to general circulation and Earth system models (ESMs) and the adoption of co-processor capable atmospheric chemistry solvers. This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of GEOS-Chem scientific code to permit seamless transition from the GEOS-Chem stand-alone serial CTM to deployment as a coupled ESM module. In this manner, the continual stream of updates contributed by the CTM user community is automatically available for broader applications, which remain state-of-science and directly referenceable to the latest version of the standard GEOS-Chem CTM. These developments are now available as part of the standard version of the GEOS-Chem CTM. The system has been implemented as an atmospheric chemistry module within the NASA GEOS-5 ESM. The coupled GEOS-5/GEOS-Chem system was tested for weak and strong scalability and performance with a tropospheric oxidant-aerosol simulation. Results confirm that the GEOS-Chem chemical operator scales efficiently for any number of processes. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemical operator means that the relative cost goes down with increasing number of processes, making fine-scale resolution simulations possible.

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.

Science.gov (United States)

Nakata, Maho; Shimazaki, Tomomi

2017-06-26

Large-scale molecular databases play an essential role in the investigation of various subjects such as the development of organic materials, in silico drug design, and data-driven studies with machine learning. We have developed a large-scale quantum chemistry database based on first-principles methods. Our database currently contains the ground-state electronic structures of 3 million molecules based on density functional theory (DFT) at the B3LYP/6-31G* level, and we successively calculated 10 low-lying excited states of over 2 million molecules via time-dependent DFT with the B3LYP functional and the 6-31+G* basis set. To select the molecules calculated in our project, we referred to the PubChem Project, which was used as the source of the molecular structures in short strings using the InChI and SMILES representations. Accordingly, we have named our quantum chemistry database project "PubChemQC" ( http://pubchemqc.riken.jp/ ) and placed it in the public domain. In this paper, we show the fundamental features of the PubChemQC database and discuss the techniques used to construct the data set for large-scale quantum chemistry calculations. We also present a machine learning approach to predict the electronic structure of molecules as an example to demonstrate the suitability of the large-scale quantum chemistry database.

Modelling the urban air quality in Hamburg with the new city-scale chemistry transport model CityChem

Science.gov (United States)

Karl, Matthias; Ramacher, Martin; Aulinger, Armin; Matthias, Volker; Quante, Markus

2017-04-01

Air quality modelling plays an important role by providing guidelines for efficient air pollution abatement measures. Currently, most urban dispersion models treat air pollutants as passive tracer substances or use highly simplified chemistry when simulating air pollutant concentrations on the city-scale. The newly developed urban chemistry-transport model CityChem has the capability of modelling the photochemical transformation of multiple pollutants along with atmospheric diffusion to produce pollutant concentration fields for the entire city on a horizontal resolution of 100 m or even finer and a vertical resolution of 24 layers up to 4000 m height. CityChem is based on the Eulerian urban dispersion model EPISODE of the Norwegian Institute for Air Research (NILU). CityChem treats the complex photochemistry in cities using detailed EMEP chemistry on an Eulerian 3-D grid, while using simple photo-stationary equilibrium on a much higher resolution grid (receptor grid), i.e. close to industrial point sources and traffic sources. The CityChem model takes into account that long-range transport contributes to urban pollutant concentrations. This is done by using 3-D boundary concentrations for the city domain derived from chemistry-transport simulations with the regional air quality model CMAQ. For the study of the air quality in Hamburg, CityChem was set-up with a main grid of 30×30 grid cells of 1×1 km2 each and a receptor grid of 300×300 grid cells of 100×100 m2. The CityChem model was driven with meteorological data generated by the prognostic meteorology component of the Australian chemistry-transport model TAPM. Bottom-up inventories of emissions from traffic, industry, households were based on data of the municipality of Hamburg. Shipping emissions for the port of Hamburg were taken from the Clean North Sea Shipping project. Episodes with elevated ozone (O3) were of specific interest for this study, as these are associated with exceedances of the World

Automation and semantics: the CombeChem experience

OpenAIRE

Frey, Jeremy G.

2004-01-01

Some of the experiences of the CombeChem e-Science project in relation to both automation and the need for semantics in combining modern computer science techniques and chemistry are discussed. In particular the aspects of the smart laboratory, large scale data handling and the way this impacts on the necessary database technology are discussed. In addition some of the ways in which the grid can enable greater user interaction with services such as the National Crystallography Service and imp...

Towards a Comprehensive Dynamic-chemistry Assimilation for Eos-Chem: Plans and Status in NASA's Data Assimilation Office

Science.gov (United States)

Pawson, Steven; Lin, Shian-Jiann; Rood, Richard B.; Stajner, Ivanka; Nebuda, Sharon; Nielsen, J. Eric; Douglass, Anne R.

2000-01-01

In order to support the EOS-Chem project, a comprehensive assimilation package for the coupled chemical-dynamical system is being developed by the Data Assimilation Office at NASA GSFC. This involves development of a coupled chemistry/meteorology model and of data assimilation techniques for trace species and meteorology. The model is being developed using the flux-form semi-Lagrangian dynamical core of Lin and Rood, the physical parameterizations from the NCAR Community Climate Model, and atmospheric chemistry modules from the Atmospheric Chemistry and Dynamics branch at NASA GSFC. To date the following results have been obtained: (i) multi-annual simulations with the dynamics-radiation model show the credibility of the package for atmospheric simulations; (ii) initial simulations including a limited number of middle atmospheric trace gases reveal the realistic nature of transport mechanisms, although there is still a need for some improvements. Samples of these results will be shown. A meteorological assimilation system is currently being constructed using the model; this will form the basis for the proposed meteorological/chemical assimilation package. The latter part of the presentation will focus on areas targeted for development in the near and far terms, with the objective of Providing a comprehensive assimilation package for the EOS-Chem science experiment. The first stage will target ozone assimilation. The plans also encompass a reanalysis (ReSTS) for the 1991-1995 period, which includes the Mt. Pinatubo eruption and the time when a large number of UARS observations were available. One of the most challenging aspects of future developments will be to couple theoretical advances in tracer assimilation with the practical considerations of a real environment and eventually a near-real-time assimilation system.

Serving the medicinal chemistry community with Royal Society of Chemistry cheminformatics platforms

OpenAIRE

Williams, Antony

2015-01-01

The Royal Society of Chemistry (RSC) is a major participant in providing access to chemistry related data via the web. As an internationally renowned society for the chemical sciences, a scientific publisher and the host of the ChemSpider database for the community, RSC continues to make dramatic strides in providing online access to data. ChemSpider provides access to over 30 million chemicals sourced from over 500 data suppliers and linked out to related information on the web. The platform...

SPECIAL ISSUE DEDICATED TO THE 10TH ANNIVERSARY OF THE CHEMISTRY JOURNAL OF MOLDOVA. GENERAL, INDUSTRIAL AND ECOLOGICAL CHEMISTRY

OpenAIRE

Gheorghe DUCA

2016-01-01

Ten years ago, in 2006, CHEMISTRY JOURNAL OF MOLDOVA. General, Industrial and Ecological Chemistry was founded by the Institute of Chemistry of Academy of Sciences of Moldova and Moldova State University. Chemistry Journal of Moldova is an open access, international indexed and peer-reviewed journal that publishes papers of high quality containing original results in the areas of Chemical Sciences, such as analytical chemistry, ecological chemistry, food chemistry, industrial chem...

Exploration of Mars with the ChemCam LIBS Instrument and the Curiosity Rover

Science.gov (United States)

Newsom, Horton E.

2016-01-01

The Mars Science Laboratory (MSL) Curiosity rover landed on Mars in August 2012, and has been exploring the planet ever since. Dr. Horton E. Newsom will discuss the MSL's design and main goal, which is to characterize past environments that may have been conducive to the evolution and sustainability of life. He will also discuss Curiosity's science payload, and remote sensing, analytical capabilities, and direct discoveries of the Chemistry & Camera (ChemCam) instrument, which is the first Laser Induced Breakdown Spectrometer (LIBS) to operate on another planetary surface and determine the chemistry of the rocks and soils.

A CNES remote operations center for the MSL ChemCam instrument

Energy Technology Data Exchange (ETDEWEB)

Wiens, Roger C [Los Alamos National Laboratory; Lafaille, Vivian [CNES; Lorgny, Eric [CNES; Baroukh, Julien [CNES; Gaboriaud, Alain [CNES; Saccoccio, Muriel [CNES; Perez, Rene [CNES; Gasnault, Olivier [CNRS/CESR; Maurice, Sylvestre [CNRS/CESR; Blaney, Diana [JPL

2010-01-01

For the first time, a CNES remote operations center in Toulouse will be involved in the tactical operations of a Martian rover in order to operate the ChemCam science instrument in the framework of the NASA MSL (Mars Science Laboratory) mission in 2012. CNES/CESR and LANL have developed and delivered to JPL the ChemCam (Chemistry Camera) instrument located on the top of mast and in the body of the rover. This instrument incorporates a Laser-Induced Breakdown Spectrometer (LIBS) and a Remote Micro-Imager (RMI) for determining elemental compositions of rock targets or soil samples at remote distances from the rover (2-7 m). An agreement has been achieved for operating ChemCam, alternatively, from Toulouse (FR) and Los Alamos (NM, USA), through the JPL ground data system in Pasadena (CA, USA) for a complete Martian year (2 years on Earth). After a brief overview of the MSL mission, this paper presents the instrument, the mission operational system and JPL organization requirements for the scientific investigators (PI and Co-Is). This paper emphasizes innovations applied on the ground segment components and on the operational approach to satisfy the requirements and constraints due to these shared and distributed operations over the world.

Numerical simulation for regional ozone concentrations: A case study by weather research and forecasting/chemistry (WRF/Chem) model

Energy Technology Data Exchange (ETDEWEB)

Habib Al Razi, Khandakar Md; Hiroshi, Moritomi [Environmental and Renewable Energy System, Graduate School of Engineering, Gifu University, 1-1 Yanagido, Gifu City, 501-1193 (Japan)

2013-07-01

The objective of this research is to better understand and predict the atmospheric concentration distribution of ozone and its precursor (in particular, within the Planetary Boundary Layer (Within 110 km to 12 km) over Kasaki City and the Greater Tokyo Area using fully coupled online WRF/Chem (Weather Research and Forecasting/Chemistry) model. In this research, a serious and continuous high ozone episode in the Greater Tokyo Area (GTA) during the summer of 14–18 August 2010 was investigated using the observation data. We analyzed the ozone and other trace gas concentrations, as well as the corresponding weather conditions in this high ozone episode by WRF/Chem model. The simulation results revealed that the analyzed episode was mainly caused by the impact of accumulation of pollution rich in ozone over the Greater Tokyo Area. WRF/Chem has shown relatively good performance in modeling of this continuous high ozone episode, the simulated and the observed concentrations of ozone, NOx and NO2 are basically in agreement at Kawasaki City, with best correlation coefficients of 0.87, 0.70 and 0.72 respectively. Moreover, the simulations of WRF/Chem with WRF preprocessing software (WPS) show a better agreement with meteorological observations such as surface winds and temperature profiles in the ground level of this area. As a result the surface ozone simulation performances have been enhanced in terms of the peak ozone and spatial patterns, whereas WRF/Chem has been succeeded to generate meteorological fields as well as ozone, NOx, NO2 and NO.

Using WRF-Chem to investigate the impact of night time nitrate radical chemistry and N2O5 heterogeneous chemistry on the chemical composition of the UK troposphere.

Science.gov (United States)

Archer-Nicholls, S.; Lowe, D.; Utembe, S.; McFiggans, G.

2012-04-01

It is believed that NO3 is the primary oxidant at night time, significantly impacting ozone formation, rain acidification and the formation and transformation of aerosols, particularly through the formation of the ammonium nitrate particulate (Allan et. al., 2000). However, many of the basic chemical processes controlling the formation and removal of NO3, in particular, the N2O5 heterogeneous reactions, are often not represented in models, although general parameterisations have been developed (c.f. Bertram & Thornton, 2009). The ROle of Night time chemistry in controlling the Oxidising Capacity of the atmOsphere (RONOCO) campaign is a project being funded by NERC and being carried out by a collaboration of UK Universities. It aims to better understand the role of the NO3 radical on the chemistry of the night time atmosphere, its oxidation capacity and thus its overall effects on the composition of the troposphere. The Weather Research and Forecasting model with Chemistry (WRF-Chem) is a state of the art regional climate model with fully coupled online air quality and meteorological components allowing for better resolution of aerosol and gas-phase chemistry (Grell et. al., 2005). It has been extended to include the Common Representative Intermediates scheme (CRIv2-R5) (Watson et. al., 2008), a reduced chemical scheme designed to simulate the atmospheric degradation of 220 species of hydrocarbons and VOCs. The MOSAIC aerosol scheme (Zaveri et. al., 2008), has been extended to include a reduced complexity condensed organic phase consisting of 13 semi-volatile and 2 involatile species (Topping et. al., 2012), as well as the N2O5 heterogeneous reaction scheme of Bertram & Thornton (2009). We aim to use WRF-Chem to compare the oxidation capacity of nighttime NO3 chemistry with that of daytime OH chemistry. The model was run using two nested grids: a 15km resolution domain over western Europe, containing a 5km resolution domain over the UK. The RONOCO campaign consisted

ConfChem Conference on Flipped Classroom: Reclaiming Face Time--How an Organic Chemistry Flipped Classroom Provided Access to Increased Guided Engagement

Science.gov (United States)

Trogden, Bridget G.

2015-01-01

Students' active engagement is one of the most critical challenges to any successful learning environment. The blending of active engagement along with rich, meaningful content is necessary for chemical educators to re-examine the purpose of the chemistry classroom. The Spring 2014 ConfChem conference, Flipped Classroom, was held from May 9 to…

ChemSession'06 - 3rd Seminary of Warsaw PhD Students in Chemistry. Abstracts

International Nuclear Information System (INIS)

Zachara, J.; Lulinski, S.; Dobrowolski, J.C.; Raczynska, E.D.; Fuks, L.; Cyranski, M.K.; Stepien, B.T.; Sawicki, M.G.

2006-01-01

3 rd Annual Seminary of Warsaw PhD Students in Chemistry presented the latest achievements in chemistry, obtained in all Warsaw universities and scientific institutes. In 2006 participants presented 4 plenary lectures, and 109 posters. Among others, posters covered four disciplines related to the nuclear sciences: (a) radiobiology and radiotherapy, (b) radiation chemistry and photochemistry, (c) isotopic effects in chemistry, and (d) chemical technology

ChemSession'07 - 4th Seminary of Warsaw PhD Students in Chemistry. Abstracts

International Nuclear Information System (INIS)

Dobrowolski, J.C.; Ostrowski, S.; Madura, I.; Sporzynski, A.; Szatylowicz, H.; Zubrowska, A.

2007-01-01

4 th Annual Seminary of Warsaw PhD Students in Chemistry presented the latest achievements in chemistry, obtained in all Warsaw universities and scientific institutes. In 2007 participants presented 4 plenary lectures, and 101 posters. Among others, posters covered four disciplines related to the nuclear sciences: (a) radiobiology and radiotherapy, (b) radiation chemistry and photochemistry, (c) isotopic effects in chemistry, and (d) chemical technology

Exploiting PubChem for Virtual Screening.

Science.gov (United States)

Xie, Xiang-Qun

2010-12-01

IMPORTANCE OF THE FIELD: PubChem is a public molecular information repository, a scientific showcase of the NIH Roadmap Initiative. The PubChem database holds over 27 million records of unique chemical structures of compounds (CID) derived from nearly 70 million substance depositions (SID), and contains more than 449,000 bioassay records with over thousands of in vitro biochemical and cell-based screening bioassays established, with targeting more than 7000 proteins and genes linking to over 1.8 million of substances. AREAS COVERED IN THIS REVIEW: This review builds on recent PubChem-related computational chemistry research reported by other authors while providing readers with an overview of the PubChem database, focusing on its increasing role in cheminformatics, virtual screening and toxicity prediction modeling. WHAT THE READER WILL GAIN: These publicly available datasets in PubChem provide great opportunities for scientists to perform cheminformatics and virtual screening research for computer-aided drug design. However, the high volume and complexity of the datasets, in particular the bioassay-associated false positives/negatives and highly imbalanced datasets in PubChem, also creates major challenges. Several approaches regarding the modeling of PubChem datasets and development of virtual screening models for bioactivity and toxicity predictions are also reviewed. TAKE HOME MESSAGE: Novel data-mining cheminformatics tools and virtual screening algorithms are being developed and used to retrieve, annotate and analyze the large-scale and highly complex PubChem biological screening data for drug design.

Part I: Reverse-docking studies of a squaramide-catalyzed conjugate addition of a diketone to a nitro-olefin Part II: The development of ChemSort: an education game for organic chemistry

Science.gov (United States)

Granger, Jenna Christine

Part 1: Reverse-docking studies of a squaramide-catalyzed conjugate addition of a diketone to a nitro-olefin. Asymmetric organocatalysis, the catalysis of asymmetric reactions by small organic molecules, is a rapidly growing field within organic synthesis. The ability to rationally design organocatalysts is therefore of increasing interest to organic chemists. Computational chemistry is quickly proving to be an extremely successful method for understanding and predicting the roles of organocatalysts, and therefore is certain to be of use in the rational design of such catalysts. A methodology for reverse-docking flexible organocatalysts to rigid transition state models of asymmetric reactions has been previously developed by the Deslongchamps group. The investigation of Rawal's squaramide-based organocatalyst for the addition of a diketone to a nitro-olefin is described, and the results of the reverse docking of Rawal's catalyst to the geometry optimized transition state models of the uncatalyzed reaction for both the R and S-product enantiomers are presented. The results of this study indicate a preference for binding of the organocatalyst to the R-enantiomer transition state model with a predicted enantiomeric excess of 99%, which is consistent with the experimental results. A plausible geometric model of the transition state for the catalyzed reaction is also presented. The success of this study demonstrates the credibility of using reverse docking methods for the rational design of asymmetric organocatalysts. Part 2: The development of ChemSort: an educational game for organic chemistry. With the advent of the millennial learner, we need to rethink traditional classroom approaches to science learning in terms of goals, approaches, and assessments. Digital simulations and games hold much promise in support of this educational shift. Although the idea of using games for education is not a new one, well-designed computer-based "serious games" are only beginning to

Exercises in Computational Chemistry

DEFF Research Database (Denmark)

Spanget-Larsen, Jens

2016-01-01

A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

Popular Science Articles for Chemistry Teaching

Directory of Open Access Journals (Sweden)

Ketevan Kupatadze

2017-07-01

Full Text Available The presented paper reviews popular science articles (these articles are published in online magazine “The Teacher” as one of the methods of chemistry teaching. It describes which didactic principles they are in line with and how this type of articles can be used in order to kindle the interest of pupils, students and generally, the readers of other specialties, in chemistry.  The articles review the main topics of inorganic/organic chemistry, biochemistry and ecological chemistry in a simple and entertaining manner. A part of the articles is about "household" chemistry. Chemical topics are related to poetry, literature, history of chemistry or simply, to fun news. The paper delineates the structure of popular science articles and the features of engaging students. It also reviews the teachers' and students' interview results about the usage of popular science articles in chemistry teaching process. The aforementioned pedagogical study revealed that the popular science articles contain useful information not only for the students of other specialties, but also for future biologists and ecologists (having chemistry as a mandatory subject at their universities. The articles are effectively used by teachers on chemistry lessons to kindle students' interest in this subject. DOI: http://dx.doi.org/10.17807/orbital.v9i3.960 

ChemSession'06 - 3{sup rd} Seminary of Warsaw PhD Students in Chemistry. Abstracts

Energy Technology Data Exchange (ETDEWEB)

Zachara, J; Lulinski, S [Warsaw University of Technology, Warsaw (Poland); Dobrowolski, J C [Industrial Chemistry Research Institute, Warsaw (Poland); National Institute of Drugs, Warsaw (Poland); Raczynska, E D [Warsaw University of Life Sciences (SGGW), Warsaw (Poland); Fuks, L [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Cyranski, M K; Stepien, B T [University of Warsaw, Warsaw (Poland); Sawicki, M G [Cecylia Plater-Zylberkowna High School, Warsaw (Poland)

2006-07-01

3{sup rd} Annual Seminary of Warsaw PhD Students in Chemistry presented the latest achievements in chemistry, obtained in all Warsaw universities and scientific institutes. In 2006 participants presented 4 plenary lectures, and 109 posters. Among others, posters covered four disciplines related to the nuclear sciences: (a) radiobiology and radiotherapy, (b) radiation chemistry and photochemistry, (c) isotopic effects in chemistry, and (d) chemical technology.

ChemSession'07 - 4{sup th} Seminary of Warsaw PhD Students in Chemistry. Abstracts

Energy Technology Data Exchange (ETDEWEB)

Dobrowolski, J C [Industrial Chemistry Research Institute, Warsaw (Poland); National Institute of Drugs, Warsaw (Poland); Ostrowski, S [Industrial Chemistry Research Institute, Warsaw (Poland); Madura, I; Sporzynski, A; Szatylowicz, H; Zubrowska, A [Warsaw University of Technology, Warsaw (Poland)

2007-07-01

4{sup th} Annual Seminary of Warsaw PhD Students in Chemistry presented the latest achievements in chemistry, obtained in all Warsaw universities and scientific institutes. In 2007 participants presented 4 plenary lectures, and 101 posters. Among others, posters covered four disciplines related to the nuclear sciences: (a) radiobiology and radiotherapy, (b) radiation chemistry and photochemistry, (c) isotopic effects in chemistry, and (d) chemical technology.

ChemCam on MSL 2009: first laser induced breakdown spectrometer for space science

Energy Technology Data Exchange (ETDEWEB)

Wiens, Roger C [Los Alamos National Laboratory

2008-01-01

ChemCam is one of the 10 instrument suites on the Mars Science Laboratory, a martian rover being built by Jet Propulsion Laboratory, for the next NASA mission to Mars (MSL 2009). ChemCam is an instrument package consisting of two remote sensing instruments: a Laser-Induced Breakdown Spectrometer (LIBS) and a Remote Micro-Imager (RMI). LIBS provides elemental compositions of rocks and soils, while the RMI places the LIBS analyses in their geomorphologic context. Both instruments rely on an autofocus capability to precisely focus on the chosen target, located at distances from the rover comprised between 1 and 9 m for LIBS, and 2 m and infinity for RMI. ChemCam will help determine which samples, within the vicinity of the MSL rover, are of sufficient interest to use the contact and in-situ instruments for further characterization. It will provide valuable analyses of samples that are inaccessible to contact and in-situ instruments, and of a much larger number of samples than can be done with this kind of instrument. ChemCam also has a capability to provide passive spectroscopy data of rocks and soils on Mars. ChemCam hardware consists of a Mast Unit (MU), provided by France, and a Body Unit (BU) built and tested in the USA. The Flight Model of the MU is assembled, tested and now available in the USA, while the BU is currently being assembled and tested. Both will be connected by the end of year '08 for end-to-end functional and performance tests, before delivery to JPL and assembly on the MSL rover. Launch is scheduled for October 09. After describing the concept of ChemCam, this presentation focuses on its French part, Mast Unit. The results presented show that Mast Unit is able to generate a plasma and collect its light, over the full applicable ranges of distances and temperatures on Mars.

WRF-Chem Model Simulations of Arizona Dust Storms

Science.gov (United States)

Mohebbi, A.; Chang, H. I.; Hondula, D.

2017-12-01

The online Weather Research and Forecasting model with coupled chemistry module (WRF-Chem) is applied to simulate the transport, deposition and emission of the dust aerosols in an intense dust outbreak event that took place on July 5th, 2011 over Arizona. Goddard Chemistry Aerosol Radiation and Transport (GOCART), Air Force Weather Agency (AFWA), and University of Cologne (UoC) parameterization schemes for dust emission were evaluated. The model was found to simulate well the synoptic meteorological conditions also widely documented in previous studies. The chemistry module performance in reproducing the atmospheric desert dust load was evaluated using the horizontal field of the Aerosol Optical Depth (AOD) from Moderate Resolution Imaging Spectro (MODIS) radiometer Terra/Aqua and Aerosol Robotic Network (AERONET) satellites employing standard Dark Target (DT) and Deep Blue (DB) algorithms. To assess the temporal variability of the dust storm, Particulate Matter mass concentration data (PM10 and PM2.5) from Arizona Department of Environmental Quality (AZDEQ) ground-based air quality stations were used. The promising performance of WRF-Chem indicate that the model is capable of simulating the right timing and loading of a dust event in the planetary-boundary-layer (PBL) which can be used to forecast approaching severe dust events and to communicate an effective early warning.

The ChemCam Instrument Suite on the Mars Science Laboratory (MSL) Rover: Science Objectives and Mast Unit Description

Science.gov (United States)

Maurice, S.; Wiens, R.C.; Saccoccio, M.; Barraclough, B.; Gasnault, O.; Forni, O.; Mangold, N.; Baratoux, D.; Bender, S.; Berger, G.; Bernardin, J.; Berthé, M.; Bridges, N.; Blaney, D.; Bouyé, M.; Caïs, P.; Clark, B.; Clegg, S.; Cousin, A.; Cremers, D.; Cros, A.; DeFlores, L.; Derycke, C.; Dingler, B.; Dromart, G.; Dubois, B.; Dupieux, M.; Durand, E.; d'Uston, L.; Fabre, C.; Faure, B.; Gaboriaud, A.; Gharsa, T.; Herkenhoff, K.; Kan, E.; Kirkland, L.; Kouach, D.; Lacour, J.-L.; Langevin, Y.; Lasue, J.; Le Mouélic, S.; Lescure, M.; Lewin, E.; Limonadi, D.; Manhès, G.; Mauchien, P.; McKay, C.; Meslin, P.-Y.; Michel, Y.; Miller, E.; Newsom, Horton E.; Orttner, G.; Paillet, A.; Parès, L.; Parot, Y.; Pérez, R.; Pinet, P.; Poitrasson, F.; Quertier, B.; Sallé, B.; Sotin, Christophe; Sautter, V.; Séran, H.; Simmonds, J.J.; Sirven, J.-B.; Stiglich, R.; Striebig, N.; Thocaven, J.-J.; Toplis, M.J.; Vaniman, D.

2012-01-01

ChemCam is a remote sensing instrument suite on board the "Curiosity" rover (NASA) that uses Laser-Induced Breakdown Spectroscopy (LIBS) to provide the elemental composition of soils and rocks at the surface of Mars from a distance of 1.3 to 7 m, and a telescopic imager to return high resolution context and micro-images at distances greater than 1.16 m. We describe five analytical capabilities: rock classification, quantitative composition, depth profiling, context imaging, and passive spectroscopy. They serve as a toolbox to address most of the science questions at Gale crater. ChemCam consists of a Mast-Unit (laser, telescope, camera, and electronics) and a Body-Unit (spectrometers, digital processing unit, and optical demultiplexer), which are connected by an optical fiber and an electrical interface. We then report on the development, integration, and testing of the Mast-Unit, and summarize some key characteristics of ChemCam. This confirmed that nominal or better than nominal performances were achieved for critical parameters, in particular power density (>1 GW/cm2). The analysis spot diameter varies from 350 μm at 2 m to 550 μm at 7 m distance. For remote imaging, the camera field of view is 20 mrad for 1024×1024 pixels. Field tests demonstrated that the resolution (˜90 μrad) made it possible to identify laser shots on a wide variety of images. This is sufficient for visualizing laser shot pits and textures of rocks and soils. An auto-exposure capability optimizes the dynamical range of the images. Dedicated hardware and software focus the telescope, with precision that is appropriate for the LIBS and imaging depths-of-field. The light emitted by the plasma is collected and sent to the Body-Unit via a 6 m optical fiber. The companion to this paper (Wiens et al. this issue) reports on the development of the Body-Unit, on the analysis of the emitted light, and on the good match between instrument performance and science specifications.

Onboard calibration igneous targets for the Mars Science Laboratory Curiosity rover and the Chemistry Camera laser induced breakdown spectroscopy instrument

Energy Technology Data Exchange (ETDEWEB)

Fabre, C., E-mail: cecile.fabre@g2r.uhp-nancy.fr [G2R, Nancy Universite (France); Maurice, S.; Cousin, A. [IRAP, Toulouse (France); Wiens, R.C. [LANL, Los Alamos, NM (United States); Forni, O. [IRAP, Toulouse (France); Sautter, V. [MNHN, Paris (France); Guillaume, D. [GET, Toulouse (France)

2011-03-15

Accurate characterization of the Chemistry Camera (ChemCam) laser-induced breakdown spectroscopy (LIBS) on-board composition targets is of prime importance for the ChemCam instrument. The Mars Science Laboratory (MSL) science and operations teams expect ChemCam to provide the first compositional results at remote distances (1.5-7 m) during the in situ analyses of the Martian surface starting in 2012. Thus, establishing LIBS reference spectra from appropriate calibration standards must be undertaken diligently. Considering the global mineralogy of the Martian surface, and the possible landing sites, three specific compositions of igneous targets have been determined. Picritic, noritic, and shergottic glasses have been produced, along with a Macusanite natural glass. A sample of each target will fly on the MSL Curiosity rover deck, 1.56 m from the ChemCam instrument, and duplicates are available on the ground. Duplicates are considered to be identical, as the relative standard deviation (RSD) of the composition dispersion is around 8%. Electronic microprobe and laser ablation inductively coupled plasma mass spectrometry (LA ICP-MS) analyses give evidence that the chemical composition of the four silicate targets is very homogeneous at microscopic scales larger than the instrument spot size, with RSD < 5% for concentration variations > 0.1 wt.% using electronic microprobe, and < 10% for concentration variations > 0.01 wt.% using LA ICP-MS. The LIBS campaign on the igneous targets performed under flight-like Mars conditions establishes reference spectra for the entire mission. The LIBS spectra between 240 and 900 nm are extremely rich, hundreds of lines with high signal-to-noise, and a dynamical range sufficient to identify unambiguously major, minor and trace elements. For instance, a first LIBS calibration curve has been established for strontium from [Sr] = 284 ppm to [Sr] = 1480 ppm, showing the potential for the future calibrations for other major or minor

Onboard calibration igneous targets for the Mars Science Laboratory Curiosity rover and the Chemistry Camera laser induced breakdown spectroscopy instrument

International Nuclear Information System (INIS)

Fabre, C.; Maurice, S.; Cousin, A.; Wiens, R.C.; Forni, O.; Sautter, V.; Guillaume, D.

2011-01-01

Accurate characterization of the Chemistry Camera (ChemCam) laser-induced breakdown spectroscopy (LIBS) on-board composition targets is of prime importance for the ChemCam instrument. The Mars Science Laboratory (MSL) science and operations teams expect ChemCam to provide the first compositional results at remote distances (1.5-7 m) during the in situ analyses of the Martian surface starting in 2012. Thus, establishing LIBS reference spectra from appropriate calibration standards must be undertaken diligently. Considering the global mineralogy of the Martian surface, and the possible landing sites, three specific compositions of igneous targets have been determined. Picritic, noritic, and shergottic glasses have been produced, along with a Macusanite natural glass. A sample of each target will fly on the MSL Curiosity rover deck, 1.56 m from the ChemCam instrument, and duplicates are available on the ground. Duplicates are considered to be identical, as the relative standard deviation (RSD) of the composition dispersion is around 8%. Electronic microprobe and laser ablation inductively coupled plasma mass spectrometry (LA ICP-MS) analyses give evidence that the chemical composition of the four silicate targets is very homogeneous at microscopic scales larger than the instrument spot size, with RSD 0.1 wt.% using electronic microprobe, and 0.01 wt.% using LA ICP-MS. The LIBS campaign on the igneous targets performed under flight-like Mars conditions establishes reference spectra for the entire mission. The LIBS spectra between 240 and 900 nm are extremely rich, hundreds of lines with high signal-to-noise, and a dynamical range sufficient to identify unambiguously major, minor and trace elements. For instance, a first LIBS calibration curve has been established for strontium from [Sr] = 284 ppm to [Sr] = 1480 ppm, showing the potential for the future calibrations for other major or minor elements.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Science.gov (United States)

Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; Behn, Andrew; Deng, Jia; Feng, Xintian; Ghosh, Debashree; Goldey, Matthew; Horn, Paul R.; Jacobson, Leif D.; Kaliman, Ilya; Khaliullin, Rustam Z.; Kuś, Tomasz; Landau, Arie; Liu, Jie; Proynov, Emil I.; Rhee, Young Min; Richard, Ryan M.; Rohrdanz, Mary A.; Steele, Ryan P.; Sundstrom, Eric J.; Woodcock, H. Lee, III; Zimmerman, Paul M.; Zuev, Dmitry; Albrecht, Ben; Alguire, Ethan; Austin, Brian; Beran, Gregory J. O.; Bernard, Yves A.; Berquist, Eric; Brandhorst, Kai; Bravaya, Ksenia B.; Brown, Shawn T.; Casanova, David; Chang, Chun-Min; Chen, Yunqing; Chien, Siu Hung; Closser, Kristina D.; Crittenden, Deborah L.; Diedenhofen, Michael; DiStasio, Robert A., Jr.; Do, Hainam; Dutoi, Anthony D.; Edgar, Richard G.; Fatehi, Shervin; Fusti-Molnar, Laszlo; Ghysels, An; Golubeva-Zadorozhnaya, Anna; Gomes, Joseph; Hanson-Heine, Magnus W. D.; Harbach, Philipp H. P.; Hauser, Andreas W.; Hohenstein, Edward G.; Holden, Zachary C.; Jagau, Thomas-C.; Ji, Hyunjun; Kaduk, Benjamin; Khistyaev, Kirill; Kim, Jaehoon; Kim, Jihan; King, Rollin A.; Klunzinger, Phil; Kosenkov, Dmytro; Kowalczyk, Tim; Krauter, Caroline M.; Lao, Ka Un; Laurent, Adèle D.; Lawler, Keith V.; Levchenko, Sergey V.; Lin, Ching Yeh; Liu, Fenglai; Livshits, Ester; Lochan, Rohini C.; Luenser, Arne; Manohar, Prashant; Manzer, Samuel F.; Mao, Shan-Ping; Mardirossian, Narbe; Marenich, Aleksandr V.; Maurer, Simon A.; Mayhall, Nicholas J.; Neuscamman, Eric; Oana, C. Melania; Olivares-Amaya, Roberto; O'Neill, Darragh P.; Parkhill, John A.; Perrine, Trilisa M.; Peverati, Roberto; Prociuk, Alexander; Rehn, Dirk R.; Rosta, Edina; Russ, Nicholas J.; Sharada, Shaama M.; Sharma, Sandeep; Small, David W.; Sodt, Alexander; Stein, Tamar; Stück, David; Su, Yu-Chuan; Thom, Alex J. W.; Tsuchimochi, Takashi; Vanovschi, Vitalii; Vogt, Leslie; Vydrov, Oleg; Wang, Tao; Watson, Mark A.; Wenzel, Jan; White, Alec; Williams, Christopher F.; Yang, Jun; Yeganeh, Sina; Yost, Shane R.; You, Zhi-Qiang; Zhang, Igor Ying; Zhang, Xing; Zhao, Yan; Brooks, Bernard R.; Chan, Garnet K. L.; Chipman, Daniel M.; Cramer, Christopher J.; Goddard, William A., III; Gordon, Mark S.; Hehre, Warren J.; Klamt, Andreas; Schaefer, Henry F., III; Schmidt, Michael W.; Sherrill, C. David; Truhlar, Donald G.; Warshel, Arieh; Xu, Xin; Aspuru-Guzik, Alán; Baer, Roi; Bell, Alexis T.; Besley, Nicholas A.; Chai, Jeng-Da; Dreuw, Andreas; Dunietz, Barry D.; Furlani, Thomas R.; Gwaltney, Steven R.; Hsu, Chao-Ping; Jung, Yousung; Kong, Jing; Lambrecht, Daniel S.; Liang, WanZhen; Ochsenfeld, Christian; Rassolov, Vitaly A.; Slipchenko, Lyudmila V.; Subotnik, Joseph E.; Van Voorhis, Troy; Herbert, John M.; Krylov, Anna I.; Gill, Peter M. W.; Head-Gordon, Martin

2015-01-01

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

Data mining a small molecule drug screening representative subset from NIH PubChem.

Science.gov (United States)

Xie, Xiang-Qun; Chen, Jian-Zhong

2008-03-01

PubChem is a scientific showcase of the NIH Roadmap Initiatives. It is a compound repository created to facilitate information exchange and data sharing among the NIH Roadmap-funded Molecular Library Screening Center Network (MLSCN) and the scientific community. However, PubChem has more than 10 million records of compound information. It will be challenging to conduct a drug screening of the whole database of millions of compounds. Thus, the purpose of the present study was to develop a data mining cheminformatics approach in order to construct a representative and structure-diverse sublibrary from the large PubChem database. In this study, a new chemical diverse representative subset, rePubChem, was selected by whole-molecule chemistry-space matrix calculation using the cell-based partition algorithm. The representative subset was generated and was then subjected to evaluations by compound property analyses based on 1D and 2D molecular descriptors. The new subset was also examined and assessed for self-similarity analysis based on 2D molecular fingerprints in comparing with the source compound library. The new subset has a much smaller library size (540K compounds) with minimum similarity and redundancy without loss of the structural diversity and basic molecular properties of its parent library (5.3 million compounds). The new representative subset library generated could be a valuable structure-diverse compound resource for in silico virtual screening and in vitro HTS drug screening. In addition, the established subset generation method of using the combined cell-based chemistry-space partition metrics with pairwised 2D fingerprint-based similarity search approaches will also be important to a broad scientific community interested in acquiring structurally diverse compounds for efficient drug screening, building representative virtual combinatorial chemistry libraries for syntheses, and data mining large compound databases like the PubChem library in general.

Biomolecular Sciences: uniting Biology and Chemistry

NARCIS (Netherlands)

Vrieling, Engel

2017-01-01

Biomolecular Sciences: uniting Biology and Chemistry www.rug.nl/research/gbb The scientific discoveries in biomolecular sciences have benefitted enormously from technological innovations. At the Groningen Biomolecular Science and Biotechnology Institute (GBB) we now sequence a genome in days,

Philosophy of Science and Philosophy of Chemistry

OpenAIRE

Jaap van Brakel

2014-01-01

In this paper I assess the relation between philosophy of chemistry and (general) philosophy of science, focusing on those themes in the philosophy of chemistry that may bring about major revisions or extensions of current philosophy of science. Three themes can claim to make a unique contribution to philosophy of science: first, the variety of materials in the (natural and artificial) world; second, extending the world by making new stuff; and, third, specific features of the relations betwe...

Real Science: MIT Reality Show Tracks Experiences, Frustrations of Chemistry Lab Students

Science.gov (United States)

Cooper, Kenneth J.

2012-01-01

A reality show about a college course--a chemistry class no less? That's what "ChemLab Boot Camp" is. The 14-part series of short videos is being released one episode at a time on the online learning site of the Massachusetts Institute of Technology. The novel show follows a diverse group of 14 freshmen as they struggle to master the…

ChemCam activities and discoveries during the nominal mission of the Mars Science Laboratory in Gale crater, Mars

Science.gov (United States)

Maurice, Sylvestre; Clegg, Samuel M.; Wiens, Roger C.; Gasnault, O.; Rapin, W.; Forni, O.; Cousin, Agnes; Sautter, V.; Mangold, Nicolas; Le Deit, L.; Nachon, Marion; Anderson, Ryan; Lanza, Nina; Fabre, Cecile; Payre, Valerie; Lasue, Jeremie; Meslin, Pierre-Yves; LeVeille, Richard A.; Barraclough, Bruce; Beck, Pierre; Bender, Steven C.; Berger, Gilles; Bridges, John C.; Bridges, Nathan; Dromert, Gilles; Dyar, M. Darby; Francis, Raymond; Frydenvang, Jens; Gondet, B.; Ehlmann, Bethany L.; Herkenhoff, Kenneth E.; Johnson, Jeffrey R.; Langevin, Yves; Madsen Morten B.,; Melikechi, N.; Lacour, J.-L.; Le Mouelic, Stephane; Lewin, Eric; Newsom, Horton E.; Ollila, Ann M.; Pinet, Patrick; Schroder, S.; Sirven, Jean-Baptiste; Tokar, Robert L.; Toplis, M.J.; d'Uston, Claude; Vaniman, David; Vasavada, Ashwin R.

2016-01-01

At Gale crater, Mars, ChemCam acquired its first laser-induced breakdown spectroscopy (LIBS) target on Sol 13 of the landed portion of the mission (a Sol is a Mars day). Up to Sol 800, more than 188000 LIBS spectra were acquired on more than 5800 points distributed over about 650 individual targets. We present a comprehensive review of ChemCam scientific accomplishments during that period, together with a focus on the lessons learned from the first use of LIBS in space. For data processing, we describe new tools that had to be developed to account for the uniqueness of Mars data. With regard to chemistry, we present a summary of the composition range measured on Mars for major-element oxides (SiO2, TiO2, Al2O3, FeOT, MgO, CaO, Na2O, K2O) based on various multivariate models, with associated precisions. ChemCam also observed H, and the non-metallic elements C, O, P, and S, which are usually difficult to quantify with LIBS. F and Cl are observed through their molecular lines. We discuss the most relevant LIBS lines for detection of minor and trace elements (Li, Rb, Sr, Ba, Cr, Mn, Ni, and Zn). These results were obtained thanks to comprehensive ground reference datasets, which are set to mimic the expected mineralogy and chemistry on Mars. With regard to the first use of LIBS in space, we analyze and quantify, often for the first time, each of the advantages of using stand-off LIBS in space: no sample preparation, analysis within its petrological context, dust removal, sub-millimeter scale investigation, multi-point analysis, the ability to carry out statistical surveys and whole-rock analyses, and rapid data acquisition. We conclude with a discussion of ChemCam performance to survey the geochemistry of Mars, and its valuable support of decisions about selecting where and whether to make observations with more time and resource-intensive tools in the rover's instrument suite. In the end, we present a bird's-eye view of the many scientific results: discovery of felsic

Teaching Triple Science: GCSE Chemistry

Science.gov (United States)

Learning and Skills Network (NJ3), 2007

2007-01-01

The Department for Children, Schools and Families (DCSF) has contracted with the Learning and Skills Network to support awareness and take-up of Triple Science GCSEs through the Triple Science Support Programme. This publication provides an introduction to teaching and learning approaches for the extension topics within GCSE Chemistry. It…

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)

Visible and Near-Infrared (VNIR) Spectroscopy of Altered Basalts with Application to the ChemCam Library for Mars Science Laboratory

Science.gov (United States)

Hadnott, B.; Ehlmann, B. L.

2012-12-01

The discovery of Fe, Mg, and Al clays on Mars using VNIR spectroscopy from orbit indicates past low temperature/pressure hydrothermal and weathering environments. Laboratory analysis of Mars-analog rocks from these settings on Earth was used to build the ChemCam sample library for Mars Science Laboratory, permitting for more accurate compositional analysis of Martian samples, improved linkages between VNIR's mineralogic and ChemCam's elemental data, and improved recognition of different environmental settings for aqueous alteration. VNIR spectroscopy was used to analyze 4 suites of altered basaltic rocks—one from San Carlos, AZ and three from various locations in Iceland. Continuum shape and absorption features were found to vary, depending on the environment and extent of alteration. Relatively unaltered rocks had electronic absorptions related to ferrous iron. The strength of the 1.9- μm (μm = microns) H2O absorption correlated with the degree of aqueous alteration. Samples with strong 1.9- μm absorptions often exhibited absorption bands at 1.4, 2.2, and 2.3 μm indicating the presence of clay minerals and/or features at 0.5-0.8 μm indicative of ferric iron oxides. Diagnostic absorption features and continuum slopes have been used to identify a representative subset of rocks from each suite for further analysis for the ChemCam library. Noteworthy spectral features for all suites included variation of absorption bands from 2.0-2.5 μm. Most samples contained an absorption band near 2.21 μm, indicating the presence of Si-OH or Al-OH; a 2.3 μm band is also present in some samples, indicating the presence of Mg-OH and Fe-OH, with subtle shifts between 2.29 and 2.35 μm indicating the major cation and constituent phase (e.g. amorphous phase, smectite or chlorite). Overall continuum slope correlated with the degree of alteration. Flat slopes contained weak 1.9 μm bands (little alteration) and sometimes ferrous iron absorptions of primary minerals. Negative

ChemPreview: an augmented reality-based molecular interface.

Science.gov (United States)

Zheng, Min; Waller, Mark P

2017-05-01

Human computer interfaces make computational science more comprehensible and impactful. Complex 3D structures such as proteins or DNA are magnified by digital representations and displayed on two-dimensional monitors. Augmented reality has recently opened another door to access the virtual three-dimensional world. Herein, we present an augmented reality application called ChemPreview with the potential to manipulate bio-molecular structures at an atomistic level. ChemPreview is available at https://github.com/wallerlab/chem-preview/releases, and is built on top of the Meta 1 platform https://www.metavision.com/. ChemPreview can be used to interact with a protein in an intuitive way using natural hand gestures, thereby making it appealing to computational chemists or structural biologists. The ability to manipulate atoms in real world could eventually provide new and more efficient ways of extracting structural knowledge, or designing new molecules in silico. Copyright © 2017 Elsevier Inc. All rights reserved.

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

Dameris, M; Sausen, R; Grewe, V; Koehler, I; Ponater, M [Deutsche Forschungs- und Versuchsanstalt fuer Luft- und Raumfahrt e.V., Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere; Steil, B [Max-Planck-Inst. fuer Meteorologie, Hamburg (Germany); Bruehl, Ch [Max-Planck-Inst. fuer Chemie (Otto-Hahn-Institut), Mainz (Germany)

1998-12-31

A hierarchy of models of different complexity has been applied to estimate the impact of aircraft NO{sub x} emissions on atmospheric chemistry. The global circulation model ECHAM3 has been coupled with two types of chemistry modules. The first of these describes only a simplified (linear) NO{sub x} and HNO{sub 3} chemistry while the second one is a comprehensive chemistry module (CHEM), describing tropospheric and stratospheric chemistry including photochemical reactions and heterogeneous reactions on sulphate aerosols and PSCs. The module CHEM has been coupled either off-line or with feedback via the ozone concentration. First results of multilayer integrations (over decades) are discussed. (author) 27 refs.

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

Dameris, M.; Sausen, R.; Grewe, V.; Koehler, I.; Ponater, M. [Deutsche Forschungs- und Versuchsanstalt fuer Luft- und Raumfahrt e.V., Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere; Steil, B. [Max-Planck-Inst. fuer Meteorologie, Hamburg (Germany); Bruehl, Ch. [Max-Planck-Inst. fuer Chemie (Otto-Hahn-Institut), Mainz (Germany)

1997-12-31

A hierarchy of models of different complexity has been applied to estimate the impact of aircraft NO{sub x} emissions on atmospheric chemistry. The global circulation model ECHAM3 has been coupled with two types of chemistry modules. The first of these describes only a simplified (linear) NO{sub x} and HNO{sub 3} chemistry while the second one is a comprehensive chemistry module (CHEM), describing tropospheric and stratospheric chemistry including photochemical reactions and heterogeneous reactions on sulphate aerosols and PSCs. The module CHEM has been coupled either off-line or with feedback via the ozone concentration. First results of multilayer integrations (over decades) are discussed. (author) 27 refs.

Chemical effects in 11-year solar cycle simulations with the Freie Universität Berlin Climate Middle Atmosphere Model with online chemistry (FUB-CMAM-CHEM)

OpenAIRE

U. Langematz; J. Grenfell; K. Matthes; P. Mieth; M. Kunze; B. Steil; C. Brühl;  

2005-01-01

The impact of 11-year solar cycle variations on stratospheric ozone (O3) is studied with the Freie Universität Berlin Climate Middle Atmosphere Model with interactive chemistry (FUB-CMAM-CHEM). To consider the effect of variations in charged particle precipitation we included an idealized NO x source in the upper mesosphere representing relativistic electron precipitation (REP). Our results suggest that the NO x source by particles and its transport from the mesosphere to the stratosphe...

Science Underlying 2008 Nobel Prizes

Science.gov (United States)

Caldwell, Bernadette A.

2009-01-01

for teachers includes instructions for three student activities that use enzymes. The resources below may help introduce students to the science behind some of these Nobel Prizes. Turning on the Light: Lessons from Luminescence. O'Hara, P. B.; Engelson, C.; St. Peter, W. J. Chem. Educ. 2005, 82, 49 . (See especially the bioluminescence section on page 51 that concisely explains GFP.) JCE Classroom Activity #68: Turning on the Light. O'Hara, P. B.; Engelson, C.; St. Peter, W. J. Chem. Educ. 2005, 82, 48A . JCE Classroom Activity #81: pHantastic Fluorescence. Muyskens, M. J. Chem. Educ. 2006, 83, 768A . Recombinant Green Fluorescent Protein Isoforms: Exercises To Integrate Molecular Biology, Biochemistry, and Biophysical Chemistry. Hicks, B. W. J. Chem. Educ. 1999, 76, 409 . C-SNARF-1 as a Fluorescent Probe for pH Measurements in Living Cells: Two-Wavelength-Ratio Method versus Whole-Spectral-Resolution Method. Ribou, A-C.; Vigo, J.; Salmon, J-M. J. Chem. Educ. 2002, 79, 1471 . An Attack on the AIDS Virus: Inhibition of the HIV-1 Protease: New Drug Development Based on the Structure and Activity of the Protease and Its Role in the Replication and Maturation of the Virus. Volker, E. J. J. Chem. Educ. 1993, 70, 3 . From Chemistry Comes Alive!, five video clips demonstrate properties and mechanisms involved in the chemistry of HIV. HIV-1 Protease: An Enzyme at Work . All articles from Volume 1 to the current issue are available in full-text PDF at JCE Online : Browse by year, month, and page , or choose title and author searching of all issues of JCE.

Development of a real time chemistry monitoring and diagnostic system

International Nuclear Information System (INIS)

Gaudreau, T.M.; Millett, P.J.; Bates, J.; Burns, G.

1998-01-01

EPRI has developed SMART chem WORKS, which is capable of operating as a real time chemistry diagnostic and monitoring system. A high degree of plant-specific customization is possible which allows discrimination between normal chemistry and off-normal conditions. The initial implementation of the system has been very successful. State of the art technology has been employed which allows remote administration of the system, a flexible, web page display of the output from the system and instant notification of excursions using email and pagers. The second installation of SMART chem WORKS is currently underway at a BWR plant, Grand Gulf. The SMART chem WORKS techniques can be applied to monitor PWR Primary Chemistry, PWR Secondary Chemistry and BWR steam cycle chemistry. A fossil steam cycle simulator will also be developed for application to fossil plants. (J.P.N.)

The ChemCam Instrument Suite on the Mars Science Laboratory (MSL) Rover: Body Unit and Combined System Tests

International Nuclear Information System (INIS)

Wiens, Roger C.; Barraclough, Bruce; Barkley, Walter C.; Bender, Steve; Bernardin, John; Bultman, Nathan; Clanton, Robert C.; Clegg, Samuel; Delapp, Dorothea; Dingler, Robert; Enemark, Don; Flores, Mike; Hale, Thomas; Lanza, Nina; Lasue, Jeremie; Latino, Joseph; Little, Cynthia; Morrison, Leland; Nelson, Tony; Romero, Frank; Salazar, Steven; Stiglich, Ralph; Storms, Steven; Trujillo, Tanner; Ulibarri, Mike; Vaniman, David; Whitaker, Robert; Witt, James; Maurice, Sylvestre; Bouye, Marc; Cousin, Agnes; Cros, Alain; D'Uston, Claude; Forni, Olivier; Gasnault, Olivier; Kouach, Driss; Lasue, Jeremie; Pares, Laurent; Poitrasson, Franck; Striebig, Nicolas; Thocaven, Jean-Jacques; Saccoccio, Muriel; Perez, Rene; Bell, James F. III; Hays, Charles; Blaney, Diana; DeFlores, Lauren; Elliott, Tom; Kan, Ed; Limonadi, Daniel; Lindensmith, Chris; Miller, Ed; Reiter, Joseph W.; Roberts, Tom; Simmonds, John J.; Warner, Noah; Blank, Jennifer; Bridges, Nathan; Cais, Phillippe; Clark, Benton; Cremers, David; Dyar, M. Darby; Fabre, Cecile; Herkenhoff, Ken; Kirkland, Laurel; Landis, David; Langevin, Yves; Lanza, Nina; Newsom, Horton; Ollila, Ann; LaRocca, Frank; Ott, Melanie; Mangold, Nicolas; Manhes, Gerard; Mauchien, Patrick; Blank, Jennifer; McKay, Christopher; Mooney, Joe; Provost, Cheryl; Morris, Richard V.; Sautter, Violaine; Sautter, Violaine; Waterbury, Rob; Wong-Swanson, Belinda; Barraclough, Bruce; Bender, Steve; Vaniman, David

2012-01-01

The ChemCam instrument suite on the Mars Science Laboratory (MSL) rover Curiosity provides remote compositional information using the first laser-induced breakdown spectrometer (LIBS) on a planetary mission, and provides sample texture and morphology data using a remote micro-imager (RMI). Overall, ChemCam supports MSL with five capabilities: remote classification of rock and soil characteristics; quantitative elemental compositions including light elements like hydrogen and some elements to which LIBS is uniquely sensitive (e.g., Li, Be, Rb, Sr, Ba); remote removal of surface dust and depth profiling through surface coatings; context imaging; and passive spectroscopy over the 240-905 nm range. ChemCam is built in two sections: The mast unit, consisting of a laser, telescope, RMI, and associated electronics, resides on the rover's mast, and is described in a companion paper. ChemCam's body unit, which is mounted in the body of the rover, comprises an optical de-multiplexer, three spectrometers, detectors, their coolers, and associated electronics and data handling logic. Additional instrument components include a 6 m optical fiber which transfers the LIBS light from the telescope to the body unit, and a set of onboard calibration targets. ChemCam was integrated and tested at Los Alamos National Laboratory where it also underwent LIBS calibration with 69 geological standards prior to integration with the rover. Post-integration testing used coordinated mast and instrument commands, including LIBS line scans on rock targets during system-level thermal-vacuum tests. In this paper we describe the body unit, optical fiber, and calibration targets, and the assembly, testing, and verification of the instrument prior to launch. (authors)

Chem/bio sensing with non-classical light and integrated photonics.

Science.gov (United States)

Haas, J; Schwartz, M; Rengstl, U; Jetter, M; Michler, P; Mizaikoff, B

2018-01-29

Modern quantum technology currently experiences extensive advances in applicability in communications, cryptography, computing, metrology and lithography. Harnessing this technology platform for chem/bio sensing scenarios is an appealing opportunity enabling ultra-sensitive detection schemes. This is further facilliated by the progress in fabrication, miniaturization and integration of visible and infrared quantum photonics. Especially, the combination of efficient single-photon sources together with waveguiding/sensing structures, serving as active optical transducer, as well as advanced detector materials is promising integrated quantum photonic chem/bio sensors. Besides the intrinsic molecular selectivity and non-destructive character of visible and infrared light based sensing schemes, chem/bio sensors taking advantage of non-classical light sources promise sensitivities beyond the standard quantum limit. In the present review, recent achievements towards on-chip chem/bio quantum photonic sensing platforms based on N00N states are discussed along with appropriate recognition chemistries, facilitating the detection of relevant (bio)analytes at ultra-trace concentration levels. After evaluating recent developments in this field, a perspective for a potentially promising sensor testbed is discussed for reaching integrated quantum sensing with two fiber-coupled GaAs chips together with semiconductor quantum dots serving as single-photon sources.

Profile of laboratory instruction in secondary school level chemistry and indication for reform

Science.gov (United States)

Wang, Mei

This study is a profile of the laboratory component of instruction in secondary school level chemistry. As one of several companion studies, the purpose of the study is to investigate present practices related to instruction as a means of producing reform that improve cognitive and non-cognitive learning outcomes. Five hundred-forty students, from 18 chemistry classes taught by 12 teachers in ten high schools were involved in this study. Three schools included public and private schools, urban school, suburban schools, and rural schools. Three levels or types of chemistry courses were offered in these schools: school regular chemistry for college bound students, Chemistry in the Community or "ChemCom" for non-college bound students, and a second year of chemistry or advanced placement chemistry. Laboratory sessions in each of these three levels of courses were observed, videotaped, and later analyzed using the Modified Revised Science Teachers Behaviors Inventory (MR-STBI). The 12 chemistry teachers, eight science supervisors, and selected students were interviewed to determine their professional backgrounds and other factors that might influence how they teach, how they think, and how they learn. The following conclusions developed from the research are: (1) The three levels of chemistry courses are offered across high schools of varying sizes and locations. (2) Teachers perceive that students come to chemistry classes poorly prepared to effectively carry out laboratory experiences and/or investigations. (3) While students indicated that they are able to effectively use math skills in analyzing the results of chemistry laboratory experiments, teachers, in general, are not satisfied with the level at which students are prepared to use these skills, or to use writing skills. (4) Students working in pairs, is the typical approach. Group cooperation is sometimes used in carrying out the laboratory component of chemistry instruction in the ChemCom and AP chemistry

Critical Science Education in a Suburban High School Chemistry Class

Science.gov (United States)

Ashby, Patrick

To improve students' scientific literacy and their general perceptions of chemistry, I enacted critical chemistry education (CCE) in two "regular level" chemistry classes with a group of 25 students in a suburban, private high school as part of this study. CCE combined the efforts of critical science educators (Fusco & Calabrese Barton, 2001; Gilbert 2013) with the performance expectations of the Next Generation Science Standards (NGSS) (NGSS Lead States, 2013a) to critically transform the traditional chemistry curriculum at this setting. Essentially, CCE engages students in the critical exploration of socially situated chemistry content knowledge and requires them to demonstrate this knowledge through the practices of science. The purpose of this study was to gauge these students development of chemistry content knowledge, chemistry interest, and critical scientific literacy (CSL) as they engaged in CCE. CSL was a construct developed for this study that necessarily combined the National Research Center's (2012) definition of scientific literacy with a critical component. As such, CSL entailed demonstrating content knowledge through the practices of science as well as the ability to critically analyze the intersections between science content and socially relevant issues. A mixed methods, critical ethnographic approach framed the collection of data from open-ended questionnaires, focus group interviews, Likert surveys, pre- and post unit tests, and student artifacts. These data revealed three main findings: (1) students began to develop CSL in specific, significant ways working through the activities of CCE, (2) student participants of CCE developed a comparable level of chemistry content understanding to students who participated in a traditional chemistry curriculum, and (3) CCE developed a group of students' perceptions of interest in chemistry. In addition to being able to teach students discipline specific content knowledge, the implications of this study are

Application of a coupled ecosystem-chemical equilibrium model, DayCent-Chem, to stream and soil chemistry in a Rocky Mountain watershed

Science.gov (United States)

Hartman, M.D.; Baron, Jill S.; Ojima, D.S.

2007-01-01

Atmospheric deposition of sulfur and nitrogen species have the potential to acidify terrestrial and aquatic ecosystems, but nitrate and ammonium are also critical nutrients for plant and microbial productivity. Both the ecological response and the hydrochemical response to atmospheric deposition are of interest to regulatory and land management agencies. We developed a non-spatial biogeochemical model to simulate soil and surface water chemistry by linking the daily version of the CENTURY ecosystem model (DayCent) with a low temperature aqueous geochemical model, PHREEQC. The coupled model, DayCent-Chem, simulates the daily dynamics of plant production, soil organic matter, cation exchange, mineral weathering, elution, stream discharge, and solute concentrations in soil water and stream flow. By aerially weighting the contributions of separate bedrock/talus and tundra simulations, the model was able to replicate the measured seasonal and annual stream chemistry for most solutes for Andrews Creek in Loch Vale watershed, Rocky Mountain National Park. Simulated soil chemistry, net primary production, live biomass, and soil organic matter for forest and tundra matched well with measurements. This model is appropriate for accurately describing ecosystem and surface water chemical response to atmospheric deposition and climate change. ?? 2006 Elsevier B.V. All rights reserved.

Ethics in Science: The Unique Consequences of Chemistry.

Science.gov (United States)

Kovac, Jeffrey

2015-01-01

This article discusses the ethical issues unique to the science and practice of chemistry. These issues arise from chemistry's position in the middle between the theoretical and the practical, a science concerned with molecules that are of the right size to directly affect human life. Many of the issues are raised by the central activity of chemistry--synthesis. Chemists make thousands of new substances each year. Many are beneficial, but others are threats. Since the development of the chemical industry in the nineteenth century, chemistry has contributed to the deterioration of the environment but has also helped to reduce pollution. Finally, we discuss the role of codes of ethics and whether the current codes of conduct for chemists are adequate for the challenges of today's world.

ChemCam at Gale Crater: Highlights and Discoveries from Three Years of Chemical Measurements on Mars

Science.gov (United States)

Blaney, Diana L.; Wiens, Roger; Maurice, Sylvestre; Gasnault, Olivier; Anderson, Ryan; Bridges, John; Bridges, Nathan; Clegg, Samuel; Clark, Benton; Ehlmann, Bethany; Dyar, Melinda D.; Fisk, Martin; Francis, Raymond; Fabre, Cecile; Forni, Olivier; Frydenvang, Jens; Johnson, Jeffery; Lanza, Nina; Leveille, Richard; Lasue, Jeremie; Le Deit, Laetitia; Mangold, Nicholas; Melikechi, Noureddine; Nachon, Marion; Newsom, Horton; Payre, Valerie; Rapin, William; Sautter, Violane; Vaniman, David; Grotzinger, John; Vasavad, Ashwin; Crisp, Joy

2015-11-01

ChemCam has undertaken a detailed chemical investigation of the rocks and soils at Gale crater over the last three years with over six thousand separate geochemical measurements. Recent recalibration of the ChemCam data using a new library of >350 geochemical standards has enabled increased elemental accuracies over a wider compositional range. The increased accuracy combined with ChemCam’s small spot size allows for the chemistry of mineral end members including feldspars, high silica, oxide rich grains to be identified. ChemCam has observed both sedimentary and igneous compositions. Igneous compositions are generally present in conglomerates and in float rocks. Compositions show a wide range of igneous chemistry ranging from basaltic to feldspar rich assemblages.Sedimentary rocks have a wide range of compositions reflecting both differences in chemical source regions and in depositional and diagenetic histories. The “Sheepbed” mudstones cluster around Martian average crustal compositions. The “Kimberley” outcrop showed enhanced potassium reaching concentrations up to ~6 wt% K2O. More recent observations in the Murray Formation at the base of Mt. Sharp reveal mudstones that are lower in magnesium and higher in silica and aluminum than the more basaltic mudstones previously investigated. Extremely high silica (75-85 wt%) deposits have also been identified. The high silica observations were associated with increased TiO2, While the Murray mudstones are generally low in magnesium, local enhancements in magnesium have also been noted associated with resistant facies in the outcrop. Chemical trends also indicate that iron oxide phases may also be present as cements. Sandstone facies with a mafic composition are also present. Veins in the unit also show a wide range of compositions indicating fluid chemistries rich in calcium sulfate, fluorine, magnesium and iron were present. Vein chemistry could be the result of distinct fluids migrating through from a

The Another Assimilation System for WRF-Chem (AAS4WRF): a new mass-conserving emissions pre-processor for WRF-Chem regional modelling

Science.gov (United States)

Vara Vela, A. L.; Muñoz, A.; Lomas, A., Sr.; González, C. M.; Calderon, M. G.; Andrade, M. D. F.

2017-12-01

The Weather Research and Forecasting with Chemistry (WRF-Chem) community model have been widely used for the study of pollutants transport, formation of secondary pollutants, as well as for the assessment of air quality policies implementation. A key factor to improve the WRF-Chem air quality simulations over urban areas is the representation of anthropogenic emission sources. There are several tools that are available to assist users in creating their own emissions based on global emissions information (e.g. anthro_emiss, prep_chem_src); however, there is no single tool that will construct local emissions input datasets for any particular domain at this time. Because the official emissions pre-processor (emiss_v03) is designed to work with domains located over North America, this work presents the Another Assimilation System for WRF-Chem (AAS4WRF), a ncl based mass-conserving emissions pre-processor designed to create WRF-Chem ready emissions files from local inventories on a lat/lon projection. AAS4WRF is appropriate to scale emission rates from both surface and elevated sources, providing the users an alternative way to assimilate their emissions to WRF-Chem. Since it was successfully tested for the first time for the city of Lima, Peru in 2014 (managed by SENAMHI, the National Weather Service of the country), several studies on air quality modelling have applied this utility to convert their emissions to those required for WRF-Chem. Two case studies performed in the metropolitan areas of Sao Paulo and Manizales in Brazil and Colombia, respectively, are here presented in order to analyse the influence of using local or global emission inventories in the representation of regulated air pollutants such as O3 and PM2.5. Although AAS4WRF works with local emissions information at the moment, further work is being conducted to make it compatible with global/regional emissions data file format. The tool is freely available upon request to the corresponding author.

Cross-disciplinary thermoregulation and sweat analysis laboratory experiences for undergraduate Chemistry and Exercise Science students.

Science.gov (United States)

Mulligan, Gregory; Taylor, Nichole; Glen, Mary; Tomlin, Dona; Gaul, Catherine A

2011-06-01

Cross-disciplinary (CD) learning experiences benefit student understanding of concepts and curriculum by offering opportunities to explore topics from the perspectives of alternate fields of study. This report involves a qualitative evaluation of CD health sciences undergraduate laboratory experiences in which concepts and students from two distinct disciplines [chemistry (CHEM) and exercise physiology (EPHE)] combined to study exercise thermoregulation and sweat analysis. Twenty-eight senior BSc Kinesiology (EPHE) students and 42 senior BSc CHEM students participated as part of their mutually exclusive, respective courses. The effectiveness of this laboratory environment was evaluated qualitatively using written comments collected from all students as well as from formal focus groups conducted after the CD laboratory with a representative cohort from each class (n = 16 CHEM students and 9 EPHE students). An open coding strategy was used to analyze the data from written feedback and focus group transcripts. Coding topics were generated and used to develop five themes found to be consistent for both groups of students. These themes reflected the common student perceptions that the CD experience was valuable and that students enjoyed being able to apply academic concepts to practical situations as well as the opportunity to interact with students from another discipline of study. However, students also reported some challenges throughout this experience that stemmed from the combination of laboratory groups from different disciplines with limited modification to the design of the original, pre-CD, learning environments. The results indicate that this laboratory created an effective learning opportunity that fostered student interest and enthusiasm for learning. The findings also provide information that could inform subsequent design and implementation of similar CD experiences to enhance engagement of all students and improve instructor efficacy.

Chemistry teachers’ understanding of science process skills in relation of science process skills assessment in chemistry learning

Science.gov (United States)

Hikmah, N.; Yamtinah, S.; Ashadi; Indriyanti, N. Y.

2018-05-01

A Science process skill (SPS) is a fundamental scientific method to achieve good knowledge. SPS can be categorized into two levels: basic and integrated. Learning SPS helps children to grow as individuals who can access knowledge and know how to acquire it. The primary outcomes of the scientific process in learning are the application of scientific processes, scientific reasoning, accurate knowledge, problem-solving, and understanding of the relationship between science, technology, society, and everyday life’s events. Teachers’ understanding of SPS is central to the application of SPS in a learning process. Following this point, this study aims to investigate the high school chemistry teachers’ understanding of SPS pertains to their assessment of SPS in chemistry learning. The understanding of SPS is measured from the conceptual and operational aspects of SPS. This research uses qualitative analysis method, and the sample consists of eight chemistry teachers selected by random sampling. A semi-structured interview procedure is used to collect the data. The result of the analysis shows that teachers’ conceptual and operational understanding of SPS is weak. It affects the accuracy and appropriateness of the teacher’s selection of SPS assessment in chemistry learning.

ChemSearch Journal

African Journals Online (AJOL)

Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives. Journal Homepage Image. Chemsearch Journal is a peer – reviewed journal that publishes original research work, scientific papers and technical reports in all the field of Chemistry (pure science, agriculture, environmental science, ...

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community

Science.gov (United States)

Williams, Antony; Tkachenko, Valery

2014-10-01

Since 2009 the Royal Society of Chemistry (RSC) has been delivering access to chemistry data and cheminformatics tools via the ChemSpider database and has garnered a significant community following in terms of usage and contribution to the platform. ChemSpider has focused only on those chemical entities that can be represented as molecular connection tables or, to be more specific, the ability to generate an InChI from the input structure. As a structure centric hub ChemSpider is built around the molecular structure with other data and links being associated with this structure. As a result the platform has been limited in terms of the types of data that can be managed, and the flexibility of its searches, and it is constrained by the data model. New technologies and approaches, specifically taking into account a shift from relational to NoSQL databases, and the growing importance of the semantic web, has motivated RSC to rearchitect and create a more generic data repository utilizing these new technologies. This article will provide an overview of our activities in delivering data sharing platforms for the chemistry community including the development of the new data repository expanding into more extensive domains of chemistry data.

Regional modelling of polycyclic aromatic hydrocarbons: WRF-Chem-PAH model development and East Asia case studies

Science.gov (United States)

Mu, Qing; Lammel, Gerhard; Gencarelli, Christian N.; Hedgecock, Ian M.; Chen, Ying; Přibylová, Petra; Teich, Monique; Zhang, Yuxuan; Zheng, Guangjie; van Pinxteren, Dominik; Zhang, Qiang; Herrmann, Hartmut; Shiraiwa, Manabu; Spichtinger, Peter; Su, Hang; Pöschl, Ulrich; Cheng, Yafang

2017-10-01

Polycyclic aromatic hydrocarbons (PAHs) are hazardous pollutants, with increasing emissions in pace with economic development in East Asia, but their distribution and fate in the atmosphere are not yet well understood. We extended the regional atmospheric chemistry model WRF-Chem (Weather Research Forecast model with Chemistry module) to comprehensively study the atmospheric distribution and the fate of low-concentration, slowly degrading semivolatile compounds. The WRF-Chem-PAH model reflects the state-of-the-art understanding of current PAHs studies with several new or updated features. It was applied for PAHs covering a wide range of volatility and hydrophobicity, i.e. phenanthrene, chrysene and benzo[a]pyrene, in East Asia. Temporally highly resolved PAH concentrations and particulate mass fractions were evaluated against observations. The WRF-Chem-PAH model is able to reasonably well simulate the concentration levels and particulate mass fractions of PAHs near the sources and at a remote outflow region of East Asia, in high spatial and temporal resolutions. Sensitivity study shows that the heterogeneous reaction with ozone and the homogeneous reaction with the nitrate radical significantly influence the fate and distributions of PAHs. The methods to implement new species and to correct the transport problems can be applied to other newly implemented species in WRF-Chem.

chemistry syllabus of the nigeria science curriculum

African Journals Online (AJOL)

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The senior secondary two chemistry course content of the Nigerian science curriculum was assessed ... of the students. In Nigeria, the need to re-examine both what to teach in science and how to teach it led ..... primary school. Our industries ...

Chemistry, the Central Science? The History of the High School Science Sequence

Science.gov (United States)

Sheppard, Keith; Robbins, Dennis M.

2005-01-01

Chemistry became the ''central science'' not by design but by accident in the US high schools. The three important factors, which had their influence on the high school science, are sequenced and their impact on the development of US science education, are mentioned.

Soil diversity and hydration as observed by ChemCam at Gale Crater, Mars

NARCIS (Netherlands)

Meslin, P.-Y.; Gasnault, O.; Forni, O.; Schröder, S.; Cousin, A.; Berger, G.; Clegg, S.M.; Lasue, J.; Maurice, S.; Sautter, V.; Le Mouélic, S.; Wiens, R.C.; Fabre, C.; Goetz, W.; Bish, D.; Mangold, N.; Ehlmann, B.; Lanza, N.; Harri, A.-M.; Anderson, R.; Rampe, E.; McConnochie, T.H.; Pinet, P.; Blaney, D.; Léveillé, R.; Archer, D.; Barraclough, B.; Bender, S.; Blake, D.; Blank, J.G.; Bridges, N.; Clark, B.C.; DeFlores, L.; Delapp, D.; Dromart, G.; Dyar, M.D.; Fisk, M.; Gondet, B.; Grotzinger, J.; Herkenhoff, K.; Johnson, J.; Lacour, J.-L.; Langevin, Y.; Leshin, L.; Lewin, E.; Madsen, M.B.; Melikechi, N.; Mezzacappa, A.; Mischna, M.A.; Moores, J.E.; Newsom, H.; Ollila, A.; Perez, R.; Renno, N.; Sirven, J.-B.; Tokar, R.; De La Torre, M.; D'Uston, L.; Vaniman, D.; Yingst, A.; MSL Science Team, the

2013-01-01

The ChemCam instrument, which provides insight into martian soil chemistry at the submillimeter scale, identified two principal soil types along the Curiosity rover traverse: a fine-grained mafic type and a locally derived, coarse-grained felsic type. The mafic soil component is representative of

Enhancing interdisciplinary, mathematics, and physical science in an undergraduate life science program through physical chemistry.

Science.gov (United States)

Pursell, David P

2009-01-01

BIO2010 advocates enhancing the interdisciplinary, mathematics, and physical science components of the undergraduate biology curriculum. The Department of Chemistry and Life Science at West Point responded by developing a required physical chemistry course tailored to the interests of life science majors. To overcome student resistance to physical chemistry, students were enabled as long-term stakeholders who would shape the syllabus by selecting life science topics of interest to them. The initial 2 yr of assessment indicates that students have a positive view of the course, feel they have succeeded in achieving course outcome goals, and that the course is relevant to their professional future. Instructor assessment of student outcome goal achievement via performance on exams and labs is comparable to that of students in traditional physical chemistry courses. Perhaps more noteworthy, both student and instructor assessment indicate positive trends from year 1 to year 2, presumably due to the student stakeholder effect.

Emphasizing the process of science using demonstrations in conceptual chemistry

Science.gov (United States)

Lutz, Courtney A.

The purpose of this project was to teach students a method for employing the process of science in a conceptual chemistry classroom when observing a demonstration of a discrepant event. Students observed six demonstrations throughout a trimester study of chemistry and responded to each demonstration by asking as many questions as they could think of, choosing one testable question to answer by making as many hypotheses as possible, and choosing one hypothesis to make predictions about observed results of this hypothesis when tested. Students were evaluated on their curiosity, confidence, knowledge of the process of science, and knowledge of the nature of science before and after the six demonstrations. Many students showed improvement in using or mastery of the process of science within the context of conceptual chemistry after six intensive experiences with it. Results of the study also showed students gained confidence in their scientific abilities after completing one trimester of conceptual chemistry. Curiosity and knowledge of the nature of science did not show statistically significant improvement according to the assessment tool. This may have been due to the scope of the demonstration and response activities, which focused on the process of science methodology instead of knowledge of the nature of science or the constraints of the assessment tool.

Science Academies' Refresher Course in Chemistry

Indian Academy of Sciences (India)

2017-10-25

Oct 25, 2017 ... Modern College of Arts, Science and Commerce. Ganeshkhind, Pune ... API scores for career advancement. Applications are invited from teachers experience in teaching undergraduate and postgraduate courses in chemistry ...

E-chem page: A Support System for Remote Diagnosis of Water Quality in Boiling Water Reactors

International Nuclear Information System (INIS)

Naohiro Kusumi; Takayasu Kasahara; Kazuhiko Akamine; Kenji Tada; Naoshi Usui; Nobuyuki Oota

2002-01-01

It is important to control and maintain water quality for nuclear power plants. Chemical engineers sample and monitor reactor water from various subsystems and analyze the chemical quality as routine operations. With regard to controlling water quality, new technologies have been developed and introduced to improve the water quality from both operation and material viewpoints. To maintain the quality, it is important to support chemical engineers in evaluating the water quality and realizing effective retrieval of stored data and documents. We have developed a remote support system using the Internet to diagnose BWR water quality, which we call e-chem page. The e-chem page integrates distributed data and information in a Web server, and makes it easy to evaluate the data on BWR water chemistry. This system is composed of four functions: data transmission, water quality evaluation, inquiry and history retrieval system, and reference to documents on BWR water chemistry. The developed system is now being evaluated in trial operations by Hitachi, Ltd. and an electric power company. In addition diagnosis technology applying independent component analysis (ICA) is being developed to improve predictive capability of the system. This paper describes the structure and function of the e-chem page and presents results of obtained with the proposed system for the prediction of chemistry conditions in reactor water. (authors)

Air Quality Modeling for the Urban Jackson, Mississippi Region Using a High Resolution WRF/Chem Model

Directory of Open Access Journals (Sweden)

Shelton J. Swanier

2011-06-01

Full Text Available In this study, an attempt was made to simulate the air quality with reference to ozone over the Jackson (Mississippi region using an online WRF/Chem (Weather Research and Forecasting–Chemistry model. The WRF/Chem model has the advantages of the integration of the meteorological and chemistry modules with the same computational grid and same physical parameterizations and includes the feedback between the atmospheric chemistry and physical processes. The model was designed to have three nested domains with the inner-most domain covering the study region with a resolution of 1 km. The model was integrated for 48 hours continuously starting from 0000 UTC of 6 June 2006 and the evolution of surface ozone and other precursor pollutants were analyzed. The model simulated atmospheric flow fields and distributions of NO2 and O3 were evaluated for each of the three different time periods. The GIS based spatial distribution maps for ozone, its precursors NO, NO2, CO and HONO and the back trajectories indicate that all the mobile sources in Jackson, Ridgeland and Madison contributing significantly for their formation. The present study demonstrates the applicability of WRF/Chem model to generate quantitative information at high spatial and temporal resolution for the development of decision support systems for air quality regulatory agencies and health administrators.

Soil Diversity and Hydration as Observed by ChemCam at Gale Crater, Mars

Science.gov (United States)

Meslin, P.-Y.; Gasnault, O.; Forni, O.; Schröder, S.; Cousin, A.; Berger, G.; Clegg, S. M.; Lasue, J.; Maurice, S.; Sautter, V.; Le Mouélic, S.; Wiens, R. C.; Fabre, C.; Goetz, W.; Bish, D.; Mangold, N.; Ehlmann, B.; Lanza, N.; Harri, A.-M.; Anderson, R.; Rampe, E.; McConnochie, T. H.; Pinet, P.; Blaney, D.; Léveillé, R.; Archer, D.; Barraclough, B.; Bender, S.; Blake, D.; Blank, J. G.; Bridges, N.; Clark, B. C.; DeFlores, L.; Delapp, D.; Dromart, G.; Dyar, M. D.; Fisk, M.; Gondet, B.; Grotzinger, J.; Herkenhoff, K.; Johnson, J.; Lacour, J.-L.; Langevin, Y.; Leshin, L.; Lewin, E.; Madsen, M. B.; Melikechi, N.; Mezzacappa, A.; Mischna, M. A.; Moores, J. E.; Newsom, H.; Ollila, A.; Perez, R.; Renno, N.; Sirven, J.-B.; Tokar, R.; de la Torre, M.; d'Uston, L.; Vaniman, D.; Yingst, A.; Kemppinen, Osku; Minitti, Michelle; Cremers, David; Bell, James F.; Edgar, Lauren; Farmer, Jack; Godber, Austin; Wadhwa, Meenakshi; Wellington, Danika; McEwan, Ian; Newman, Claire; Richardson, Mark; Charpentier, Antoine; Peret, Laurent; King, Penelope; Weigle, Gerald; Schmidt, Mariek; Li, Shuai; Milliken, Ralph; Robertson, Kevin; Sun, Vivian; Baker, Michael; Edwards, Christopher; Farley, Kenneth; Griffes, Jennifer; Miller, Hayden; Newcombe, Megan; Pilorget, Cedric; Rice, Melissa; Siebach, Kirsten; Stack, Katie; Stolper, Edward; Brunet, Claude; Hipkin, Victoria; Marchand, Geneviève; Sánchez, Pablo Sobrón; Favot, Laurent; Cody, George; Steele, Andrew; Flückiger, Lorenzo; Lees, David; Nefian, Ara; Martin, Mildred; Gailhanou, Marc; Westall, Frances; Israël, Guy; Agard, Christophe; Baroukh, Julien; Donny, Christophe; Gaboriaud, Alain; Guillemot, Philippe; Lafaille, Vivian; Lorigny, Eric; Paillet, Alexis; Pérez, René; Saccoccio, Muriel; Yana, Charles; Armiens-Aparicio, Carlos; Rodríguez, Javier Caride; Blázquez, Isaías Carrasco; Gómez, Felipe Gómez; Gómez-Elvira, Javier; Hettrich, Sebastian; Malvitte, Alain Lepinette; Jiménez, Mercedes Marín; Martínez-Frías, Jesús; Martín-Soler, Javier; Martín-Torres, F. Javier; Jurado, Antonio Molina; Mora-Sotomayor, Luis; Caro, Guillermo Muñoz; López, Sara Navarro; Peinado-González, Verónica; Pla-García, Jorge; Manfredi, José Antonio Rodriguez; Romeral-Planelló, Julio José; Fuentes, Sara Alejandra Sans; Martinez, Eduardo Sebastian; Redondo, Josefina Torres; Urqui-O'Callaghan, Roser; Mier, María-Paz Zorzano; Chipera, Steve; Mauchien, Patrick; Manning, Heidi; Fairén, Alberto; Hayes, Alexander; Joseph, Jonathan; Squyres, Steven; Sullivan, Robert; Thomas, Peter; Dupont, Audrey; Lundberg, Angela; DeMarines, Julia; Grinspoon, David; Reitz, Günther; Prats, Benito; Atlaskin, Evgeny; Genzer, Maria; Haukka, Harri; Kahanpää, Henrik; Kauhanen, Janne; Kemppinen, Osku; Paton, Mark; Polkko, Jouni; Schmidt, Walter; Siili, Tero; Wray, James; Wilhelm, Mary Beth; Poitrasson, Franck; Patel, Kiran; Gorevan, Stephen; Indyk, Stephen; Paulsen, Gale; Gupta, Sanjeev; Schieber, Juergen; Geffroy, Claude; Baratoux, David; Cros, Alain; Lee, Qiu-Mei; Pallier, Etienne; Parot, Yann; Toplis, Mike; Brunner, Will; Heydari, Ezat; Achilles, Cherie; Oehler, Dorothy; Sutter, Brad; Cabane, Michel; Coscia, David; Israël, Guy; Szopa, Cyril; Robert, François; Nachon, Marion; Buch, Arnaud; Stalport, Fabien; Coll, Patrice; François, Pascaline; Raulin, François; Teinturier, Samuel; Cameron, James; Dingler, Robert; Jackson, Ryan Steele; Johnstone, Stephen; Little, Cynthia; Nelson, Tony; Williams, Richard B.; Jones, Andrea; Kirkland, Laurel; Treiman, Allan; Baker, Burt; Cantor, Bruce; Caplinger, Michael; Davis, Scott; Duston, Brian; Edgett, Kenneth; Fay, Donald; Hardgrove, Craig; Harker, David; Herrera, Paul; Jensen, Elsa; Kennedy, Megan R.; Krezoski, Gillian; Krysak, Daniel; Lipkaman, Leslie; Malin, Michael; McCartney, Elaina; McNair, Sean; Nixon, Brian; Posiolova, Liliya; Ravine, Michael; Salamon, Andrew; Saper, Lee; Stoiber, Kevin; Supulver, Kimberley; Van Beek, Jason; Van Beek, Tessa; Zimdar, Robert; French, Katherine Louise; Iagnemma, Karl; Miller, Kristen; Summons, Roger; Goesmann, Fred; Hviid, Stubbe; Johnson, Micah; Lefavor, Matthew; Lyness, Eric; Breves, Elly; Fassett, Caleb; Bristow, Thomas; DesMarais, David; Edwards, Laurence; Haberle, Robert; Hoehler, Tori; Hollingsworth, Jeff; Kahre, Melinda; Keely, Leslie; McKay, Christopher; Wilhelm, Mary Beth; Bleacher, Lora; Brinckerhoff, William; Choi, David; Conrad, Pamela; Dworkin, Jason P.; Eigenbrode, Jennifer; Floyd, Melissa; Freissinet, Caroline; Garvin, James; Glavin, Daniel; Harpold, Daniel; Jones, Andrea; Mahaffy, Paul; Martin, David K.; McAdam, Amy; Pavlov, Alexander; Raaen, Eric; Smith, Michael D.; Stern, Jennifer; Tan, Florence; Trainer, Melissa; Meyer, Michael; Posner, Arik; Voytek, Mary; Anderson, Robert C.; Aubrey, Andrew; Beegle, Luther W.; Behar, Alberto; Brinza, David; Calef, Fred; Christensen, Lance; Crisp, Joy A.; Feldman, Jason; Feldman, Sabrina; Flesch, Gregory; Hurowitz, Joel; Jun, Insoo; Keymeulen, Didier; Maki, Justin; Morookian, John Michael; Parker, Timothy; Pavri, Betina; Schoppers, Marcel; Sengstacken, Aaron; Simmonds, John J.; Spanovich, Nicole; Vasavada, Ashwin R.; Webster, Christopher R.; Yen, Albert; Cucinotta, Francis; Jones, John H.; Ming, Douglas; Morris, Richard V.; Niles, Paul; Nolan, Thomas; Radziemski, Leon; Berman, Daniel; Dobrea, Eldar Noe; Williams, Rebecca M. E.; Lewis, Kevin; Cleghorn, Timothy; Huntress, Wesley; Manhès, Gérard; Hudgins, Judy; Olson, Timothy; Stewart, Noel; Sarrazin, Philippe; Grant, John; Vicenzi, Edward; Wilson, Sharon A.; Bullock, Mark; Ehresmann, Bent; Hamilton, Victoria; Hassler, Donald; Peterson, Joseph; Rafkin, Scot; Zeitlin, Cary; Fedosov, Fedor; Golovin, Dmitry; Karpushkina, Natalya; Kozyrev, Alexander; Litvak, Maxim; Malakhov, Alexey; Mitrofanov, Igor; Mokrousov, Maxim; Nikiforov, Sergey; Prokhorov, Vasily; Sanin, Anton; Tretyakov, Vladislav; Varenikov, Alexey; Vostrukhin, Andrey; Kuzmin, Ruslan; Wolff, Michael; McLennan, Scott; Botta, Oliver; Drake, Darrell; Bean, Keri; Lemmon, Mark; Schwenzer, Susanne P.; Lee, Ella Mae; Sucharski, Robert; Hernández, Miguel Ángel de Pablo; Ávalos, Juan José Blanco; Ramos, Miguel; Kim, Myung-Hee; Malespin, Charles; Plante, Ianik; Muller, Jan-Peter; Navarro-González, Rafael; Ewing, Ryan; Boynton, William; Downs, Robert; Fitzgibbon, Mike; Harshman, Karl; Morrison, Shaunna; Dietrich, William; Kortmann, Onno; Palucis, Marisa; Sumner, Dawn Y.; Williams, Amy; Lugmair, Günter; Wilson, Michael A.; Rubin, David; Jakosky, Bruce; Balic-Zunic, Tonci; Frydenvang, Jens; Jensen, Jaqueline Kløvgaard; Kinch, Kjartan; Koefoed, Asmus; Stipp, Susan Louise Svane; Boyd, Nick; Campbell, John L.; Gellert, Ralf; Perrett, Glynis; Pradler, Irina; VanBommel, Scott; Jacob, Samantha; Owen, Tobias; Rowland, Scott; Atlaskin, Evgeny; Savijärvi, Hannu; Boehm, Eckart; Böttcher, Stephan; Burmeister, Sönke; Guo, Jingnan; Köhler, Jan; García, César Martín; Mueller-Mellin, Reinhold; Wimmer-Schweingruber, Robert; Bridges, John C.; Benna, Mehdi; Franz, Heather; Bower, Hannah; Brunner, Anna; Blau, Hannah; Boucher, Thomas; Carmosino, Marco; Atreya, Sushil; Elliott, Harvey; Halleaux, Douglas; Rennó, Nilton; Wong, Michael; Pepin, Robert; Elliott, Beverley; Spray, John; Thompson, Lucy; Gordon, Suzanne; Williams, Joshua; Vasconcelos, Paulo; Bentz, Jennifer; Nealson, Kenneth; Popa, Radu; Kah, Linda C.; Moersch, Jeffrey; Tate, Christopher; Day, Mackenzie; Kocurek, Gary; Hallet, Bernard; Sletten, Ronald; Francis, Raymond; McCullough, Emily; Cloutis, Ed; ten Kate, Inge Loes; Kuzmin, Ruslan; Arvidson, Raymond; Fraeman, Abigail; Scholes, Daniel; Slavney, Susan; Stein, Thomas; Ward, Jennifer; Berger, Jeffrey

2013-09-01

The ChemCam instrument, which provides insight into martian soil chemistry at the submillimeter scale, identified two principal soil types along the Curiosity rover traverse: a fine-grained mafic type and a locally derived, coarse-grained felsic type. The mafic soil component is representative of widespread martian soils and is similar in composition to the martian dust. It possesses a ubiquitous hydrogen signature in ChemCam spectra, corresponding to the hydration of the amorphous phases found in the soil by the CheMin instrument. This hydration likely accounts for an important fraction of the global hydration of the surface seen by previous orbital measurements. ChemCam analyses did not reveal any significant exchange of water vapor between the regolith and the atmosphere. These observations provide constraints on the nature of the amorphous phases and their hydration.

Soil diversity and hydration as observed by ChemCam at Gale crater, Mars

Science.gov (United States)

Meslin, P.-Y.; Gasnault, O.; Forni, O.; Schroder, S.; Cousin, A.; Berger, G.; Clegg, S.M.; Lasue, J.; Maurice, S.; Sautter, V.; Le Mouélic, S.; Wiens, R.C.; Fabre, C.; Goetz, W.; Bish, D.L.; Mangold, N.; Ehlmann, B.; Lanza, N.; Harri, A.-M.; Anderson, Ryan Bradley; Rampe, E.; McConnochie, T.H.; Pinet, P.; Blaney, D.; ,; Archer, D.; Barraclough, B.; Bender, S.; Blake, D.; Blank, J.G.; Bridges, N.; Clark, B. C.; DeFlores, L.; Delapp, D.; Dromart, G.; Dyar, M.D.; Fisk, M. R.; Gondet, B.; Grotzinger, J.; Herkenhoff, K.; Johnson, J.; Lacour, J.-L.; Langevin, Y.; Leshin, L.; Lewin, E.; Madsen, M.B.; Melikechi, N.; Mezzacappa, Alissa; Mischna, M.A.; Moores, J.E.; Newsom, H.; Ollila, A.; ,; Renno, N.; Sirven, J.B.; Tokar, R.; de la Torre, M.; d'Uston, L.; Vaniman, D.; Yingst, A.

2013-01-01

The ChemCam instrument, which provides insight into martian soil chemistry at the submillimeter scale, identified two principal soil types along the Curiosity rover traverse: a fine-grained mafic type and a locally derived, coarse-grained felsic type. The mafic soil component is representative of widespread martian soils and is similar in composition to the martian dust. It possesses a ubiquitous hydrogen signature in ChemCam spectra, corresponding to the hydration of the amorphous phases found in the soil by the CheMin instrument. This hydration likely accounts for an important fraction of the global hydration of the surface seen by previous orbital measurements. ChemCam analyses did not reveal any significant exchange of water vapor between the regolith and the atmosphere. These observations provide constraints on the nature of the amorphous phases and their hydration.

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…

Literature information in PubChem: associations between PubChem records and scientific articles.

Science.gov (United States)

Kim, Sunghwan; Thiessen, Paul A; Cheng, Tiejun; Yu, Bo; Shoemaker, Benjamin A; Wang, Jiyao; Bolton, Evan E; Wang, Yanli; Bryant, Stephen H

2016-01-01

PubChem is an open archive consisting of a set of three primary public databases (BioAssay, Compound, and Substance). It contains information on a broad range of chemical entities, including small molecules, lipids, carbohydrates, and (chemically modified) amino acid and nucleic acid sequences (including siRNA and miRNA). Currently (as of Nov. 2015), PubChem contains more than 150 million depositor-provided chemical substance descriptions, 60 million unique chemical structures, and 225 million biological activity test results provided from over 1 million biological assay records. Many PubChem records (substances, compounds, and assays) include depositor-provided cross-references to scientific articles in PubMed. Some PubChem contributors provide bioactivity data extracted from scientific articles. Literature-derived bioactivity data complement high-throughput screening (HTS) data from the concluded NIH Molecular Libraries Program and other HTS projects. Some journals provide PubChem with information on chemicals that appear in their newly published articles, enabling concurrent publication of scientific articles in journals and associated data in public databases. In addition, PubChem links records to PubMed articles indexed with the Medical Subject Heading (MeSH) controlled vocabulary thesaurus. Literature information, both provided by depositors and derived from MeSH annotations, can be accessed using PubChem's web interfaces, enabling users to explore information available in literature related to PubChem records beyond typical web search results. Graphical abstractLiterature information for PubChem records is derived from various sources.

Green Chemistry; Sviluppo sostenibile. L'industria ha bisogno del contributo di tutti

Energy Technology Data Exchange (ETDEWEB)

Ingallina, P. [EniTecnologie SpA, San Donato Milanese, MI (Italy)

2001-02-01

Everyone acknowledges that chemistry is a key science in order to study and solve the problems of the environment: a successful arranging technological progress with environment protection is one of the main challenge of the next millennium. The Green Chemistry (or Sustainable Chemistry) represents the specific contribution that chemists can supply for an environmentally compatible development. [Italian] Fabrizio d'Adda, attualmente Presidente di EniChem e membro di Cefic (European Chemical Industry Council), ha aperto il seminario {sup T}he Greening of Chemistry{sup (}EniTecnologie - 31 Ottobre 2000) con un breve discorso. Ha espresso parole di fiducia riguardo al futuro dell'industria chimica, l'unica a suo giudizio, in grado di avviare un nuovo modello di sviluppo nel rispetto delle implicazioni ambientali, sociali ed economiche.

Rozhovor s Jiřím Poláchem a Michaelou Záluskou z Knihovny ÚOCHB

Czech Academy of Sciences Publication Activity Database

Burešová, Iva

2-3 (2016) E-ISSN 1805-2800 Keywords : interview * Institute of Organic Chemistry and Biochemistry of the CAS * library tramformation * chemLib https://www.lib.cas.cz/casopis-informace/knihovna-uochb/

ChemProt: A disease chemical biology database

DEFF Research Database (Denmark)

Taboureau, Olivier; Oprea, Tudor I.

2013-01-01

The integration of chemistry, biology, and informatics to study drug actions across multiple biological targets, pathways, and biological systems is an emerging paradigm in drug discovery. Rather than reducing a complex system to simplistic models, fields such as chemogenomics and translational...... informatics are seeking to build a holistic model for a better understanding of the drug pharmacology and clinical effects. Here we will present a webserver called ChemProt that can assist, in silico, the drug actions in the context of cellular and disease networks and contribute in the field of disease...... chemical biology, drug repurposing, and off-target effects prediction....

SWIFT: Semi-empirical and numerically efficient stratospheric ozone chemistry for global climate models

OpenAIRE

Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

2015-01-01

The SWIFT model is a fast yet accurate chemistry scheme for calculating the chemistry of stratospheric ozone. It is mainly intended for use in Global Climate Models (GCMs), Chemistry Climate Models (CCMs) and Earth System Models (ESMs). For computing time reasons these models often do not employ full stratospheric chem- istry modules, but use prescribed ozone instead. This can lead to insufficient representation between stratosphere and troposphere. The SWIFT stratospheric ozone chem...

Nuclear science in the 20th century. Radiation chemistry and radiation processing

International Nuclear Information System (INIS)

Fu Tao; Xu Furong; Zheng Chunkai

2003-01-01

The application of nuclear science and technology to chemistry has led to two important subjects, radiation chemistry and radiation processing, which are playing important roles in many aspects of science and society. We review the development and major applications of radiation chemistry and radiation processing, including the basic physical and chemical mechanisms involved

Real time water chemistry monitoring and diagnostics

International Nuclear Information System (INIS)

Gaudreau, T.M.; Choi, S.S.

2002-01-01

EPRI has produced a real time water chemistry monitoring and diagnostic system. This system is called SMART ChemWorks and is based on the EPRI ChemWorks codes. System models, chemistry parameter relationships and diagnostic approaches from these codes are integrated with real time data collection, an intelligence engine and Internet technologies to allow for automated analysis of system chemistry. Significant data management capabilities are also included which allow the user to evaluate data and create automated reporting. Additional features have been added to the system in recent years including tracking and evaluation of primary chemistry as well as the calculation and tracking of primary to secondary leakage in PWRs. This system performs virtual sensing, identifies normal and upset conditions, and evaluates the consistency of on-line monitor and grab sample readings. The system also makes use of virtual fingerprinting to identify the cause of any chemistry upsets. This technology employs plant-specific data and models to determine the chemical state of the steam cycle. (authors)

Students' science attitudes, beliefs, and context: associations with science and chemistry aspirations

Science.gov (United States)

Mujtaba, Tamjid; Sheldrake, Richard; Reiss, Michael J.; Simon, Shirley

2018-04-01

There is a widespread concern that relatively few students, especially those from disadvantaged backgrounds, continue to study chemistry and other science subjects after compulsory education. Yet it remains unclear how different aspects of students' background and home context, their own attitudes and beliefs, and their experiences of particular teaching approaches in school might limit or facilitate their studying aspirations; concurrently, less research has specifically focused on and surveyed disadvantaged students. In order to gain more insight, 4780 students were surveyed, covering those in Year 7 (age 11-12 years) and in Year 8 (age 12-13) from schools in England with high proportions of those from disadvantaged backgrounds. Predictive modelling highlighted that the students' aspirations to study non-compulsory science in the future, and to study the particular subject of chemistry, were strongly associated with their extrinsic motivation towards science (their perceived utility of science, considered as a means to gain particular careers or skills), their intrinsic interest in science, and their engagement in extra-curricular activities. Additionally, their self-concept beliefs (their confidence in their own abilities in science), some teaching approaches, and encouragement from teachers and family alongside family science capital had smaller but still relevant associations.

Preservice Science Teachers' Attitudes towards Chemistry and Misconceptions about Chemical Kinetics

Science.gov (United States)

Çam, Aylin; Topçu, Mustafa Sami; Sülün, Yusuf

2015-01-01

The present study investigates preservice science teachers' attitudes towards chemistry; their misconceptions about chemical kinetics; and relationships between pre-service science teachers' attitudes toward chemistry and misconceptions about chemical kinetics were examined. The sample of this study consisted of 81 freshman pre-service science…

Calibrating the ChemCam LIBS for Carbonate Minerals on Mars

Science.gov (United States)

Wiens, Roger C.; Clegg, Samuel M.; Ollila, Ann M.; Barefield, James E.; Lanza, Nina; Newsom, Horton E.

2009-01-01

The ChemCam instrument suite on board the NASA Mars Science Laboratory (MSL) rover includes the first LIBS instrument for extraterrestrial applications. Here we examine carbonate minerals in a simulated martian environment using the LIDS technique in order to better understand the in situ signature of these materials on Mars. Both chemical composition and rock type are determined using multivariate analysis (MVA) techniques. Composition is confirmed using scanning electron microscopy (SEM) techniques. Our initial results suggest that ChemCam can recognize and differentiate between carbonate materials on Mars.

Identifying Known Unknowns Using the USEPA CompTox Chemistry Dashboard AnalytBioanlytChem Data

Data.gov (United States)

U.S. Environmental Protection Agency — In this research, the performance of the Dashboard for identifying “known unknowns” was evaluated against that of the online ChemSpider database, one of the primary...

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…

Supramolecular Pharmaceutical Sciences: A Novel Concept Combining Pharmaceutical Sciences and Supramolecular Chemistry with a Focus on Cyclodextrin-Based Supermolecules.

Science.gov (United States)

Higashi, Taishi; Iohara, Daisuke; Motoyama, Keiichi; Arima, Hidetoshi

2018-01-01

Supramolecular chemistry is an extremely useful and important domain for understanding pharmaceutical sciences because various physiological reactions and drug activities are based on supramolecular chemistry. However, it is not a major domain in the pharmaceutical field. In this review, we propose a new concept in pharmaceutical sciences termed "supramolecular pharmaceutical sciences," which combines pharmaceutical sciences and supramolecular chemistry. This concept could be useful for developing new ideas, methods, hypotheses, strategies, materials, and mechanisms in pharmaceutical sciences. Herein, we focus on cyclodextrin (CyD)-based supermolecules, because CyDs have been used not only as pharmaceutical excipients or active pharmaceutical ingredients but also as components of supermolecules.

Application of WRF/Chem over the Continental U.S. under the AQMEII Phase II: Part 2. Evaluation of 2010 Application and Responses of Air Quality and Meteorology-Chemistry Interactions to Changes in Emissions and Meteorology from 2006 to 2010

Science.gov (United States)

The Weather Research and Forecasting model with Chemistry (WRF/Chem) simulation with the 2005 Carbon Bond (CB05) gas-phase mechanism coupled to the Modal for Aerosol Dynamics for Europe (MADE) and the Volatility Basis Set (VBS) approach for secondary organic aerosol (SOA) (MADE/V...

S.E.A. Lab. Science Experiments and Activities. Marine Science for High School Students in Chemistry, Biology and Physics.

Science.gov (United States)

Hart, Kathy, Ed.

A series of science experiments and activities designed for secondary school students taking biology, chemistry, physics, physical science or marine science courses are outlined. Each of the three major sections--chemistry, biology, and physics--addresses concepts that are generally covered in those courses but incorporates aspects of marine…

New Pathways for Teaching Chemistry: Reflective Judgment in Science.

Science.gov (United States)

Finster, David C.

1992-01-01

The reflective judgment model offers a rich context for analysis of science and science teaching. It provides deeper understanding of the scientific process and its critical thinking and reveals fundamental connections between science and the other liberal arts. Classroom techniques from a college chemistry course illustrate the utility of the…

Magic, science and masculinity: marketing toy chemistry sets.

Science.gov (United States)

Al-Gailani, Salim

2009-12-01

At least since the late nineteenth century, toy chemistry sets have featured in standard scripts of the achievement of eminence in science, and they remain important in constructions of scientific identity. Using a selection of these toys manufactured in Britain and the United States, and with particular reference to the two dominant American brands, Gilbert and Chemcraft, this paper suggests that early twentieth-century chemistry sets were rooted in overlapping Victorian traditions of entertainment magic and scientific recreations. As chemistry set marketing copy gradually reoriented towards emphasising scientific modernity, citizenship, discipline and educational value, pre-twentieth-century traditions were subsumed within domestic-and specifically masculine-tropes. These developments in branding strategies point to transformations in both users' engagement with their chemistry sets and the role of scientific toys in domestic play. The chemistry set serves here as a useful tool for measuring cultural change and lay engagement with chemistry.

Calcium Sulfate Characterized by ChemCam/Curiosity at Gale Crater, Mars

Science.gov (United States)

Nachon, M.; Clegg, S. N.; Mangold, N.; Schroeder, S.; Kah, L. C.; Dromart, G.; Ollila, A.; Johnson, J. R.; Oehler, D. Z.; Bridges, J. C.;

Analytical Chemistry at the Interface Between Materials Science and Biology

Energy Technology Data Exchange (ETDEWEB)

O' Brien, Janese C. [Iowa State Univ., Ames, IA (United States)

2000-09-21

Likedlessentid sciences, anal~cd chetis~continues toreinvent itself. Moving beyond its traditional roles of identification and quantification, analytical chemistry is now expanding its frontiers into areas previously reserved to other disciplines. This work describes several research efforts that lie at the new interfaces between analytical chemistry and two of these disciplines, namely materials science and biology. In the materials science realm, the search for new materials that may have useful or unique chromatographic properties motivated the synthesis and characterization of electrically conductive sol-gels. In the biology realm, the search for new surface fabrication schemes that would permit or even improve the detection of specific biological reactions motivated the design of miniaturized biological arrays. Collectively, this work represents some of analytical chemistry’s newest forays into these disciplines. The introduction section to this dissertation provides a literature review on several of the key aspects of this work. In advance of the materials science discussion, a brief introduction into electrochemically-modulated liquid chromatography (EMLC) and sol-gel chemistry is provided. In advance of the biological discussions, brief overviews of scanning force microscopy (SFM) and the oxidative chemistry used to construct our biological arrays are provided. This section is followed by four chapters, each of which is presented as a separate manuscript, and focuses on work that describes some of our cross-disciplinary efforts within materials science and biology. This dissertation concludes with a general summary and future prospectus.

Analytical Chemistry in the Regulatory Science of Medical Devices.

Science.gov (United States)

Wang, Yi; Guan, Allan; Wickramasekara, Samanthi; Phillips, K Scott

2018-06-12

In the United States, regulatory science is the science of developing new tools, standards, and approaches to assess the safety, efficacy, quality, and performance of all Food and Drug Administration-regulated products. Good regulatory science facilitates consumer access to innovative medical devices that are safe and effective throughout the Total Product Life Cycle (TPLC). Because the need to measure things is fundamental to the regulatory science of medical devices, analytical chemistry plays an important role, contributing to medical device technology in two ways: It can be an integral part of an innovative medical device (e.g., diagnostic devices), and it can be used to support medical device development throughout the TPLC. In this review, we focus on analytical chemistry as a tool for the regulatory science of medical devices. We highlight recent progress in companion diagnostics, medical devices on chips for preclinical testing, mass spectrometry for postmarket monitoring, and detection/characterization of bacterial biofilm to prevent infections.

Radiation chemistry: basic, strategic or tactical science?

International Nuclear Information System (INIS)

Wardman, Peter

1989-01-01

The work of Weiss in the 1930s, particularly with Haber, has only recently been recognized to have implications in biology and medicine. Similarly, research in radiation chemistry and the application of the pulse radiolysis technique, for example, have implications far beyond traditional radiation chemistry. Some examples of such research are discussed against a background of categorization into 'basic', 'strategic' or 'tactical' science. Examples discussed include redox properties of free radicals, and the identification and characterization of nitro radicals as intermediates in drug metabolism. Radical reactions often take place in multicomponent systems, and the techniques of radiation chemistry can be used to probe, for example, events occurring at interfaces in micelles. Industrial processes involving radiation are attracting investment, particularly in Japan. (author)

A New WRF-Chem Treatment for Studying Regional Scale Impacts of Cloud-Aerosol Interactions in Parameterized Cumuli

Energy Technology Data Exchange (ETDEWEB)

Berg, Larry K.; Shrivastava, ManishKumar B.; Easter, Richard C.; Fast, Jerome D.; Chapman, Elaine G.; Liu, Ying

2015-01-01

A new treatment of cloud-aerosol interactions within parameterized shallow and deep convection has been implemented in WRF-Chem that can be used to better understand the aerosol lifecycle over regional to synoptic scales. The modifications to the model to represent cloud-aerosol interactions include treatment of the cloud dropletnumber mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. Thesechanges have been implemented in both the WRF-Chem chemistry packages as well as the Kain-Fritsch cumulus parameterization that has been modified to better represent shallow convective clouds. Preliminary testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS) as well as a high-resolution simulation that does not include parameterized convection. The simulation results are used to investigate the impact of cloud-aerosol interactions on the regional scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column integrated BC can be as large as -50% when cloud-aerosol interactions are considered (due largely to wet removal), or as large as +35% for sulfate in non-precipitating conditions due to the sulfate production in the parameterized clouds. The modifications to WRF-Chem version 3.2.1 are found to account for changes in the cloud drop number concentration (CDNC) and changes in the chemical composition of cloud-drop residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to WRF-Chem version 3.5, and it is anticipated that they

PREP-CHEM-SRC – 1.0: a preprocessor of trace gas and aerosol emission fields for regional and global atmospheric chemistry models

Directory of Open Access Journals (Sweden)

S. R. Freitas

2011-05-01

Full Text Available The preprocessor PREP-CHEM-SRC presented in the paper is a comprehensive tool aiming at preparing emission fields of trace gases and aerosols for use in atmospheric-chemistry transport models. The considered emissions are from the most recent databases of urban/industrial, biogenic, biomass burning, volcanic, biofuel use and burning from agricultural waste sources. For biomass burning, emissions can be also estimated directly from satellite fire detections using a fire emission model included in the tool. The preprocessor provides emission fields interpolated onto the transport model grid. Several map projections can be chosen. The inclusion of these emissions in transport models is also presented. The preprocessor is coded using Fortran90 and C and is driven by a namelist allowing the user to choose the type of emissions and the databases.

An approach to teaching general chemistry II that highlights the interdisciplinary nature of science.

Science.gov (United States)

Sumter, Takita Felder; Owens, Patrick M

2011-01-01

The need for a revised curriculum within the life sciences has been well-established. One strategy to improve student preparation in the life sciences is to redesign introductory courses like biology, chemistry, and physics so that they better reflect their disciplinary interdependence. We describe a medically relevant, context-based approach to teaching second semester general chemistry that demonstrates the interdisciplinary nature of biology and chemistry. Our innovative method provides a model in which disciplinary barriers are diminished early in the undergraduate science curriculum. The course is divided into three principle educational modules: 1) Fundamentals of General Chemistry, 2) Medical Approaches to Inflammation, and 3) Neuroscience as a connector of chemistry, biology, and psychology. We accurately anticipated that this modified approach to teaching general chemistry would enhance student interest in chemistry and bridge the perceived gaps between biology and chemistry. The course serves as a template for context-based, interdisciplinary teaching that lays the foundation needed to train 21st century scientists. Copyright © 2010 Wiley Periodicals, Inc.

Building Bridges between Science Courses Using Honors Organic Chemistry Projects

Science.gov (United States)

Hickey, Timothy; Pontrello, Jason

2016-01-01

Introductory undergraduate science courses are traditionally offered as distinct units without formalized student interaction between classes. To bridge science courses, the authors used three Honors Organic Chemistry projects paired with other science courses. The honors students delivered presentations to mainstream organic course students and…

Application of online chemistry monitoring programs and technology

International Nuclear Information System (INIS)

Perkins, D.; Choi, S.; Haas, C.

2010-01-01

To fully understand the impact of chemistry changes, several plant parameters must be considered and reviewed with actual chemistry analyses and compared to plant operating parameters. In some cases, this requires the ability to rapidly correlate plant operational data with laboratory and chemistry data. An effective online monitoring system should be able to: Integrate and extract online data from the plant laboratory and operating information from various plant data sources continuously; Interrogate and extract laboratory data from manually entered data on predefined frequencies; Interact with multiple laboratories in multiple locations; Evaluate data against plant limits (calculated or static) and provide personnel with action level or notification of plant exceeding limits; and, Provide the ability to evaluate against a standard and site specific set of calculations. The nuclear power industry continues to refine and apply new technologies in an effort to notify operators of changes in chemical conditions, calculate complex high temperature results, and monitor system performance. EPRI developed software specifically focused on plant chemistry program optimization using power operation and shutdown data applied with plant equipment. This software evolved into the family of software referred to as EPRI ChemWorks™ applications. As technology changed and improved, the application of online monitoring was essential for plant personnel working offsite. These changes in technology prompted EPRI to the development of SMART ChemWorks™ using the EPRI ChemWorks™ plant chemistry simulator and MULTEQ applications as the backbone for these simulations and calculations. SMART ChemWorks™ is an online monitoring system that queries plant databases and continuously monitors plant and chemistry parameters. The system uses a real-time intelligence engine to perform virtual sensing, identify normal and off-normal conditions and compare in-line instrument output to grab

Measuring the development of conceptual understanding in chemistry

Science.gov (United States)

Claesgens, Jennifer Marie

The purpose of this dissertation research is to investigate and characterize how students learn chemistry from pre-instruction to deeper understanding of the subject matter in their general chemistry coursework. Based on preliminary work, I believe that students have a general pathway of learning across the "big ideas," or concepts, in chemistry that can be characterized over the course of instruction. My hypothesis is that as students learn chemistry they build from experience and logical reasoning then relate chemistry specific ideas in a pair-wise fashion before making more complete multi-relational links for deeper understanding of the subject matter. This proposed progression of student learning, which starts at Notions, moves to Recognition, and then to Formulation, is described in the ChemQuery Perspectives framework. My research continues the development of ChemQuery, an NSF-funded assessment system that uses a framework of the key ideas in the discipline and criterion-referenced analysis using item response theory (IRT) to map student progress. Specifially, this research investigates the potential for using criterion-referenced analysis to describe and measure how students learn chemistry followed by more detailed task analysis of patterns in student responses found in the data. My research question asks: does IRT work to describe and measure how students learn chemistry and if so, what is discovered about how students learn? Although my findings seem to neither entirely support nor entirely refute the pathway of student understanding proposed in the ChemQuery Perspectives framework. My research does provide an indication of trouble spots. For example, it seems like the pathway from Notions to Recognition is holding but there are difficulties around the transition from Recognition to Formulation that cannot be resolved with this data. Nevertheless, this research has produced the following, which has contributed to the development of the Chem

ChemNet: A Transferable and Generalizable Deep Neural Network for Small-Molecule Property Prediction

Energy Technology Data Exchange (ETDEWEB)

Goh, Garrett B.; Siegel, Charles M.; Vishnu, Abhinav; Hodas, Nathan O.

2017-12-08

With access to large datasets, deep neural networks through representation learning have been able to identify patterns from raw data, achieving human-level accuracy in image and speech recognition tasks. However, in chemistry, availability of large standardized and labelled datasets is scarce, and with a multitude of chemical properties of interest, chemical data is inherently small and fragmented. In this work, we explore transfer learning techniques in conjunction with the existing Chemception CNN model, to create a transferable and generalizable deep neural network for small-molecule property prediction. Our latest model, ChemNet learns in a semi-supervised manner from inexpensive labels computed from the ChEMBL database. When fine-tuned to the Tox21, HIV and FreeSolv dataset, which are 3 separate chemical tasks that ChemNet was not originally trained on, we demonstrate that ChemNet exceeds the performance of existing Chemception models, contemporary MLP models that trains on molecular fingerprints, and it matches the performance of the ConvGraph algorithm, the current state-of-the-art. Furthermore, as ChemNet has been pre-trained on a large diverse chemical database, it can be used as a universal “plug-and-play” deep neural network, which accelerates the deployment of deep neural networks for the prediction of novel small-molecule chemical properties.

Systemic Changes in the Undergraduate Chemistry Curriculum Program Awards

Science.gov (United States)

1995-07-01

The National Science Foundation has awarded over 10 million in awards to four coalitions in the first round of full awards in the Systemic Changes in the Undergraduate Chemistry Curriculum program. Overall, more than 50 institutions, ranging from large universities to four-year and community colleges, are formally involved in these projects. Each of the projects will involve five years of curricular development and evaluation and dissemination of the results by the participating institutions, as described in the abstracts below. We encourage faculty who are interested in becoming involved in any of these projects to contact the appropriate coalition. In addition, we expect to begin offering an emphasis in 1997 under the Course and Curriculum Development program in which faculty can request funds to assist them in adapting and adopting at their own institutions curricular innovations that have been developed by these coalitions. Another round of proposals for full awards was accepted in June of 1995, and we expect to make one more award in the program during FY1996. We do not expect to accept proposals for either planning or full grants in this program in June of 1996. However, the regular Course and Curriculum Development program will continue to accept and fund proposals requesting support for smaller-scale changes in the chemistry curriculum. ChemLinks Coalition: Making Chemical Connections Brock Spencer Beloit College, Beloit, WI 53511 DUE 9455918: FY1995, 705,000; FY 1996, 655,000; FY1997, 655,000; FY1998, 350,00; FY1999, 350,000 The ChemLinks Coalition is undertaking a five-year project to change the way students learn chemistry, increase scientific literacy for all students taking chemistry, and promote the process of educational reform. In collaboration with the ModularChem Consortium, faculty are developing, testing, and disseminating modular course materials that use active and collaborative approaches to learning. These materials, focused on the first two

Microfluidics and nanofluidics handbook chemistry, physics, and life science principles

CERN Document Server

Mitra, Sushanta K

2011-01-01

The Microfluidics and Nanofluidics Handbook: Two-Volume Set comprehensively captures the cross-disciplinary breadth of the fields of micro- and nanofluidics, which encompass the biological sciences, chemistry, physics and engineering applications. To fill the knowledge gap between engineering and the basic sciences, the editors pulled together key individuals, well known in their respective areas, to author chapters that help graduate students, scientists, and practicing engineers understand the overall area of microfluidics and nanofluidics. Topics covered include Cell Lysis Techniques in Lab-on-a-Chip Technology Electrodics in Electrochemical Energy Conversion Systems: Microstructure and Pore-Scale Transport Microscale Gas Flow Dynamics and Molecular Models for Gas Flow and Heat Transfer Microscopic Hemorheology and Hemodynamics Covering physics and transport phenomena along with life sciences and related applications, Volume One: Chemistry, Physics, and Life Science Principles provides readers with the fun...

An Approach to Teaching General Chemistry II that Highlights the Interdisciplinary Nature of Science*,†

Science.gov (United States)

Sumter, Takita Felder; Owens, Patrick M.

2012-01-01

The need for a revised curriculum within the life sciences has been well-established. One strategy to improve student preparation in the life sciences is to redesign introductory courses like biology, chemistry, and physics so that they better reflect their disciplinary interdependence. We describe a medically relevant, context-based approach to teaching second semester general chemistry that demonstrates the interdisciplinary nature of biology and chemistry. Our innovative method provides a model in which disciplinary barriers are diminished early in the undergraduate science curriculum. The course is divided into three principle educational modules: 1) Fundamentals of General Chemistry, 2) Medical Approaches to Inflammation, and 3) Neuroscience as a connector of chemistry, biology, and psychology. We accurately anticipated that this modified approach to teaching general chemistry would enhance student interest in chemistry and bridge the perceived gaps between biology and chemistry. The course serves as a template for context-based, interdisciplinary teaching that lays the foundation needed to train 21st century scientists. PMID:21445902

Normal Science Education and Its Dangers: The Case of School Chemistry.

Science.gov (United States)

Van Berkel, Berry; De Vos, Wobbe; Verdonk, Adri H.; Pilot, Albert

2000-01-01

Attempts to solve the problem of hidden structure in school chemistry. Argues that normal chemistry education is isolated from common sense, everyday life and society, the history and philosophy of science, technology, school physics, and chemical research. (Author/CCM)

Pre-flight calibration and initial data processing for the ChemCam laser-induced breakdown spectroscopy instrument on the Mars Science Laboratory rover

Energy Technology Data Exchange (ETDEWEB)

Wiens, R.C., E-mail: rwiens@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Maurice, S.; Lasue, J.; Forni, O. [Institut de Recherche en Astrophysique et Planetologie, Toulouse (France); Anderson, R.B. [United States Geological Survey, Flagstaff, AZ (United States); Clegg, S. [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Bender, S. [Planetary Science Institute, Tucson, AZ (United States); Blaney, D. [Jet Propulsion Laboratory, Pasadena, CA (United States); Barraclough, B.L. [Planetary Science Institute, Tucson, AZ (United States); Cousin, A. [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Institut de Recherche en Astrophysique et Planetologie, Toulouse (France); Deflores, L. [Jet Propulsion Laboratory, Pasadena, CA (United States); Delapp, D. [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Dyar, M.D. [Mount Holyoke College, South Hadley, MA (United States); Fabre, C. [Georessources, Nancy (France); Gasnault, O. [Institut de Recherche en Astrophysique et Planetologie, Toulouse (France); Lanza, N. [Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Mazoyer, J. [LESIA, Observatoire de Paris, Meudon (France); Melikechi, N. [Delaware State University, Dover, DE (United States); Meslin, P.-Y. [Institut de Recherche en Astrophysique et Planetologie, Toulouse (France); Newsom, H. [University of New Mexico, Albuquerque, NM (United States); and others

2013-04-01

The ChemCam instrument package on the Mars Science Laboratory rover, Curiosity, is the first planetary science instrument to employ laser-induced breakdown spectroscopy (LIBS) to determine the compositions of geological samples on another planet. Pre-processing of the spectra involves subtracting the ambient light background, removing noise, removing the electron continuum, calibrating for the wavelength, correcting for the variable distance to the target, and applying a wavelength-dependent correction for the instrument response. Further processing of the data uses multivariate and univariate comparisons with a LIBS spectral library developed prior to launch as well as comparisons with several on-board standards post-landing. The level-2 data products include semi-quantitative abundances derived from partial least squares regression. A LIBS spectral library was developed using 69 rock standards in the form of pressed powder disks, glasses, and ceramics to minimize heterogeneity on the scale of the observation (350–550 μm dia.). The standards covered typical compositional ranges of igneous materials and also included sulfates, carbonates, and phyllosilicates. The provenance and elemental and mineralogical compositions of these standards are described. Spectral characteristics of this data set are presented, including the size distribution and integrated irradiances of the plasmas, and a proxy for plasma temperature as a function of distance from the instrument. Two laboratory-based clones of ChemCam reside in Los Alamos and Toulouse for the purpose of adding new spectra to the database as the need arises. Sensitivity to differences in wavelength correlation to spectral channels and spectral resolution has been investigated, indicating that spectral registration needs to be within half a pixel and resolution needs to match within 1.5 to 2.6 pixels. Absolute errors are tabulated for derived compositions of each major element in each standard using PLS regression

A Cross-Age Study of Science Student Teachers' Chemistry Attitudes

Science.gov (United States)

Çalik, Muammer; Ültay, Neslihan; Kolomuç, Ali; Aytar, Ayse

2015-01-01

The aim of this study is to investigate the effects of some variables (gender and year of study) on science student teachers' (SSTs) chemistry attitudes. An adapted version of Chemistry Attitudes and Experiences Questionnaire was administered to 983 SSTs drawn from four different universities in the region of Eastern Black Sea, Turkey. Significant…

Improved Near Real Time WRF-Chem Volcanic Emission Prediction and Impacts of Ash Aerosol on Weather.

Science.gov (United States)

Stuefer, M.; Webley, P. W.; Hirtl, M.

2017-12-01

We use the numerical Weather Research Forecasting (WRF) model with online Chemistry (WRF-Chem) to investigate the regional effects of volcanic aerosol on weather. A lot of observational data have become available since the Icelandic eruption of Eyjafjallajökull in spring 2010. The observed plume characteristics and meteorological data have been exploited for volcanic WRF-Chem case studies. We concluded that the Eyjafjallajökull ash plume resulted in significant direct aerosol effects altering the state of the atmosphere over large parts of Europe. The WRF-Chem model runs show near surface temperature differences up to 3ºC, altered vertical stability, changed pressure- and wind fields within the atmosphere loaded with ash aerosol. The modeled results have been evaluated with lidar network data, and ground and balloon based observations all over Europe. Besides case studies, we use WRF-Chem to build an improved volcanic ash decision support system that NOAA can use within the Volcanic Ash Advisory Center (VAAC) system. Realistic eruption source parameter (ESP) estimates are a main challenge in predicting volcanic emission dispersion in near real time. We implemented historic ESP into the WRF-Chem preprocessing routine, which can be used as a first estimate to assess a volcanic plume once eruption activity is reported. In a second step, a range of varying plume heights has been associated with the different ash variables within WRF-Chem, resulting in an assembly of different plume scenarios within one WRF-Chem model run. Once there is plume information available from ground or satellite observations, the forecaster has the option to select the corresponding ash variable that best matches the observations. In addition we added an automatic domain generation tool to create near real time WRF-Chem model runs anywhere on the globe by reducing computing expenses at the same time.

Teaching Chemistry in Primary Science: What Does the Research Suggest?

Science.gov (United States)

Skamp, Keith

2011-01-01

The new Australian national science curriculum includes chemistry content at the primary level. Chemistry for young students is learning about changes in material stuff (matter) and, by implication, of what stuff is made. Pedagogy in this area needs to be guided by research if stepping stones to later learning of chemical ideas are to facilitate…

The Chemistry Exercise for a Students Cognitive Development

OpenAIRE

Tomiņa, Līvija

2009-01-01

ABSTRACT The Chemistry Exercise for a Student’s Cognitive Development. Tomina L., supervisor Dr. Chem., doc. Krumina A. A. The aim of this doctoral work is the study of chemistry exercises as part of a student’s cognitive development during his chemistry education at school. Our preliminary research showed us that during the last 10 – 13 years student interest in solving chemistry exercises has diminished dramatically. As part of our work we have conceptualized an approach to solving ch...

ChemSpell Web Service API

Data.gov (United States)

U.S. Department of Health & Human Services — The ChemSpell Web Service API provides chemical name spell checking and chemical name synonym look-up. ChemSpell contains more than 1.3 million chemical names...

The Discourse of Chemistry (and Beyond)

OpenAIRE

Jesper Sjöström

2007-01-01

This paper discusses the mainstream discourse of chemistry and suggests a complementary discourse. On a disciplinary level, the discourse of chemistry is based on objectivism, rationalism, and molecular reductionism. On a societal level, the discourse is based on modernism. The aims of chemical research and education are often unclear, which nowadays often leads to an emphasis on the needs from industry. Integrating meta-perspectives (philosophical, historical, and socio-cultural) within chem...

Ultrafast electron microscopy in materials science, biology, and chemistry

International Nuclear Information System (INIS)

King, Wayne E.; Campbell, Geoffrey H.; Frank, Alan; Reed, Bryan; Schmerge, John F.; Siwick, Bradley J.; Stuart, Brent C.; Weber, Peter M.

2005-01-01

The use of pump-probe experiments to study complex transient events has been an area of significant interest in materials science, biology, and chemistry. While the emphasis has been on laser pump with laser probe and laser pump with x-ray probe experiments, there is a significant and growing interest in using electrons as probes. Early experiments used electrons for gas-phase diffraction of photostimulated chemical reactions. More recently, scientists are beginning to explore phenomena in the solid state such as phase transformations, twinning, solid-state chemical reactions, radiation damage, and shock propagation. This review focuses on the emerging area of ultrafast electron microscopy (UEM), which comprises ultrafast electron diffraction (UED) and dynamic transmission electron microscopy (DTEM). The topics that are treated include the following: (1) The physics of electrons as an ultrafast probe. This encompasses the propagation dynamics of the electrons (space-charge effect, Child's law, Boersch effect) and extends to relativistic effects. (2) The anatomy of UED and DTEM instruments. This includes discussions of the photoactivated electron gun (also known as photogun or photoelectron gun) at conventional energies (60-200 keV) and extends to MeV beams generated by rf guns. Another critical aspect of the systems is the electron detector. Charge-coupled device cameras and microchannel-plate-based cameras are compared and contrasted. The effect of various physical phenomena on detective quantum efficiency is discussed. (3) Practical aspects of operation. This includes determination of time zero, measurement of pulse-length, and strategies for pulse compression. (4) Current and potential applications in materials science, biology, and chemistry. UEM has the potential to make a significant impact in future science and technology. Understanding of reaction pathways of complex transient phenomena in materials science, biology, and chemistry will provide fundamental

Promotion of science among youngsters: chemistry outreach initiatives at EPFL.

Science.gov (United States)

Moser, Farnaz

2012-01-01

At EPFL, a strategy for organising scientific outreach activities has been developed and a programme comprising various measures and actions elaborated to promote science and technology among youngsters, especially young girls. As part of this programme, workshops and chemistry camps are developed and carried out for children and youngsters aged from 7 to 16 years old. These workshops are adapted to the age of the participants and allow them to discover chemistry in a fascinating way and become familiar with this field, understand how useful it is to society and learn about the professions it opens up. Some of the workshops take place at EPFL and others are organised in schools in the French-speaking cantons of Switzerland during the touring campaign of a bus named 'Les sciences, ça m'intéresse !' ('Sciences Interest Me!').

ChemIDplus

Data.gov (United States)

U.S. Department of Health & Human Services — Chemical database is a dictionary of over 400,000 chemicals (names, synonyms, and structures). ChemIDplus includes links to NLM and other databases and resources,...

Multicultural Chemistry and the Nature of Science: But What about Knowledge?

Science.gov (United States)

Tan, Michael

2012-01-01

In response to Goff, Boesdorfer, and Hunter's article on the use of a multicultural approach to teaching chemistry and the nature of science, I forward this critical reflective essay to discuss more general curriculum aspects of the relationship between the nature of science and science education in school contexts. Taking a social realist…

Where Is Earth Science? Mining for Opportunities in Chemistry, Physics, and Biology

Science.gov (United States)

Thomas, Julie; Ivey, Toni; Puckette, Jim

2013-01-01

The Earth sciences are newly marginalized in K-12 classrooms. With few high schools offering Earth science courses, students' exposure to the Earth sciences relies on the teacher's ability to incorporate Earth science material into a biology, chemistry, or physics course. ''G.E.T. (Geoscience Experiences for Teachers) in the Field'' is an…

Mathematics, chemistry and science connection as a basis of scientific thinking

Directory of Open Access Journals (Sweden)

Ivan Matúš

2017-01-01

Full Text Available Scientific thinking is a basic skill that can support problemsolving of interdisciplinary tasks in science. Our research is leading us to creation of materials and resources that will support this interdisciplinary approach to education. The research includes interviews with high-school teachers of mathematics, chemistry and science, item analysis of extensive testing of knowledge and skills of high school students in chemistry in Czech Republic, follow-up survey of students’ problem-solving processes in tasks requiring the use of combined knowledge of mathematics and chemistry and the creation of educational materials. The article contains a few examples of proposed educational materials. The effectiveness of created materials is verified in high-schools. Students have got the most difficulties applying algebraic calculations in chemistry, using proportions, solving equations, expressing the unknown, the spatial imagination, geometry and stereometry and the resulting arrangement of atoms and shapes of molecules, chemical analytical tasks with logical thinking, interpretation of information from graphs and tables, plotting measured values into graphs and statistical evaluation.

I:\\AA-TYPESET\\CHEM\\2006\\Van Es.vp

African Journals Online (AJOL)

NJD

aDepartment of Biochemistry and Microbiology, Cook College, Rutgers, The State University of New Jersey, 08903-0231, USA. bSchool of Chemistry, University of the Witwatersrand, Johannesburg, South Africa. cVisiting Associate, Department of Chemistry and Biomolecular Sciences, Macquarie University, NSW 2109, ...

Online-coupled meteorology and chemistry models: history, current status, and outlook

Directory of Open Access Journals (Sweden)

Y. Zhang

2008-06-01

Full Text Available The climate-chemistry-aerosol-cloud-radiation feedbacks are important processes occurring in the atmosphere. Accurately simulating those feedbacks requires fully-coupled meteorology, climate, and chemistry models and presents significant challenges in terms of both scientific understanding and computational demand. This paper reviews the history and current status of the development and application of online-coupled meteorology and chemistry models, with a focus on five representative models developed in the US including GATOR-GCMOM, WRF/Chem, CAM3, MIRAGE, and Caltech unified GCM. These models represent the current status and/or the state-of-the science treatments of online-coupled models worldwide. Their major model features, typical applications, and physical/chemical treatments are compared with a focus on model treatments of aerosol and cloud microphysics and aerosol-cloud interactions. Aerosol feedbacks to planetary boundary layer meteorology and aerosol indirect effects are illustrated with case studies for some of these models. Future research needs for model development, improvement, application, as well as major challenges for online-coupled models are discussed.

Pre-flight calibration and initial data processing for the ChemCam laser-induced breakdown spectroscopy instrument on the Mars Science Laboratory rover

Science.gov (United States)

Wiens, R.C.; Maurice, S.; Lasue, J.; Forni, O.; Anderson, R.B.; Clegg, S.; Bender, S.; Blaney, D.; Barraclough, B.L.; Cousin, A.; DeFlores, L.; Delapp, D.; Dyar, M.D.; Fabre, C.; Gasnault, O.; Lanza, N.; Mazoyer, J.; Melikechi, N.; Meslin, P.-Y.; Newsom, H.; Ollila, A.; Perez, R.; Tokar, R.; Vaniman, D.

2013-01-01

The ChemCam instrument package on the Mars Science Laboratory rover, Curiosity, is the first planetary science instrument to employ laser-induced breakdown spectroscopy (LIBS) to determine the compositions of geological samples on another planet. Pre-processing of the spectra involves subtracting the ambient light background, removing noise, removing the electron continuum, calibrating for the wavelength, correcting for the variable distance to the target, and applying a wavelength-dependent correction for the instrument response. Further processing of the data uses multivariate and univariate comparisons with a LIBS spectral library developed prior to launch as well as comparisons with several on-board standards post-landing. The level-2 data products include semi-quantitative abundances derived from partial least squares regression. A LIBS spectral library was developed using 69 rock standards in the form of pressed powder disks, glasses, and ceramics to minimize heterogeneity on the scale of the observation (350–550 μm dia.). The standards covered typical compositional ranges of igneous materials and also included sulfates, carbonates, and phyllosilicates. The provenance and elemental and mineralogical compositions of these standards are described. Spectral characteristics of this data set are presented, including the size distribution and integrated irradiances of the plasmas, and a proxy for plasma temperature as a function of distance from the instrument. Two laboratory-based clones of ChemCam reside in Los Alamos and Toulouse for the purpose of adding new spectra to the database as the need arises. Sensitivity to differences in wavelength correlation to spectral channels and spectral resolution has been investigated, indicating that spectral registration needs to be within half a pixel and resolution needs to match within 1.5 to 2.6 pixels. Absolute errors are tabulated for derived compositions of each major element in each standard using PLS regression

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.

PREDIKSI SEBARAN ASAP KEBAKARAN HUTAN/LAHAN MENGGUNAKAN WRF/CHEM (Studi Kasus: Tanggal 14 dan 20 Juni 2012, Pekanbaru-Riau

Directory of Open Access Journals (Sweden)

Eko Heriyanto

2015-01-01

Full Text Available Penelitian ini bertujuan mengembangkan prediksi sebaran asap kebakaran hutan/lahan di wilayah Indonesia. Simulasi prediksi sebaran  asap (hindcast menggunakan model Weather Research and Forecasting with CHEMistry (WRF/CHEM pada kasus kebakaran hutan/lahan tanggal 14 dan 20 Juni 2012 di wilayah Pekanbaru-Riau. Dalam penelitian ini digunakan data luaran WRF resolusi 25 km dan emisi global . Hasil simulasi  konsentrasi Carbon Monoxide (CO luaran WRF/CHEM menggambarkan pola yang identik dengan hasil luaran Monitoring Atmospheric Composition and Climate (MACC-Reanalysis 1.10. Dilakukan juga analisis kualitatif terhadap hasil simulasi kedua model dengan citra satelit Aqua-Terra MODIS, NOAA-18, dan total column CO Atmospheric Infrared Sounder (AIRS dari NASA. Korelasi simulasi kedua model menunjukkan nilai yang baik antara 0.55 – 0.83. Secara umum dapat disimpulkan bahwa WRF/CHEM mampu mensimulasikan sebaran asap kebakaran hutan/lahan secara akurat. Hasil penelitian ini bisa menjadi salah satu langkah awal dalam pengembangan sistem peringatan dini sebaran asap kebakaran hutan/lahan di wilayah Indonesia.   This study aims to develop a predictive distribution of forest fire smoke/land in the territory of Indonesia. The simulation of smoke spread prediction (hindcast is using the Weather Research and Forecasting Model with CHEMistry (WRF/CHEM in the case of forest fires/land dated June 14, 2012 in Pekanbaru-Riau region. This study uses the WRF data output resolution 25 km and global emissions. Carbon Monoxide concentration simulation results (CO which is the WRF/CHEM output describes patterns that are identical to the results of Monitoring Atmospheric Composition and Climate (MACC-Reanalysis 1.1250 outcomes. a qualitative analysis of the results of the both simulation models with satellite imagery MODIS Aqua-Terra,NOAA-18 and the Total column CO Atmospheric Infrared Sounder (Airs from NASA has  been conducted as well. Both simulation models show a

Islam - Science Integration Approach in Developing Chemistry Individualized Education Program (IEP for Students with Disabilities

Directory of Open Access Journals (Sweden)

Jamil Suprihatiningrum

2017-11-01

Full Text Available The paper is based on a research which tries to explore, explain and describe Islam - science integration approach to develop an Individualized Education Program (IEP for students with disabilities in chemistry lesson. As a qualitative case study, this paper is aimed at investigating how Islam - science integration approach can be underpinned for developing the IEP for Chemistry. Participants were recruited purposively and data were collected by interviews; documents’ analysis; and experts’ assessment (i.e. material experts, inclusive education experts, media experts, chemistry teachers and support teachers, then analyzed using content-analysis. The result shows Islam - science integration approach can be a foundation to develop the chemistry IEP by seeking support for the verses of the Qur'an and corresponding hadiths. Even although almost all the subject matter in chemistry can be integrated with Islamic values, this study only developed two contents, namely Periodic System of Elements and Reaction Rate.

Green Chemistry and Sustainability: An Undergraduate Course for Science and Nonscience Majors

Science.gov (United States)

Gross, Erin M.

2013-01-01

An undergraduate lecture course in Green Chemistry and Sustainability has been developed and taught to a "multidisciplinary" group of science and nonscience majors. The course introduced students to the topics of green chemistry and sustainability and also immersed them in usage of the scientific literature. Through literature…

ChemSkill Builder 2000, Version 6.1 [CD-ROM] (by James D. Spain and Harold J. Peters)

Science.gov (United States)

Keeney-Kennicutt, Reviewed By Wendy L.

2000-07-01

One of the major challenges for faculty teaching general chemistry is how to encourage students to practice solving problems. We know that for students to develop chemical intuition and problem-solving skills, they must "get their hands dirty" as they decipher and unravel problems inherent to our discipline. One tool that I've used since its release in 1996 is the ChemSkill Builder, an electronic homework package. The latest version, ChemSkill Builder (CSB) 2000, version 6.1, is an excellent, effective integration of teaching and testing most quantitative and conceptual learning objectives in an interactive way. It is inexpensive and easy to use for both students and faculty. The CSB 2000 package of personalized problem sets, specifically designed to complement most general chemistry courses, is a program on CD-ROM for PC Windows users (3.1, 95, or 98), with more than 1500 questions and a 3 1/2-in. record-management disk. There is a separate grade-management disk for the instructor. It has 24 gradable chapters, each with 5 or 6 sections, plus two new chapters that are not graded: Polymer Chemistry and an Appendix of Chemical Skills. Each section begins with a short review of the topic and many have interactive explanations. If students miss an answer, they are given a second chance for 70% credit. If they still miss, the worked-out solution is presented in detail. Students can work each section as many times as they wish to improve their scores. Periodically, the students download their data directly into a PC set up by the instructor. The data can be easily converted into an ASCII file and merged with a spreadsheet. The use of CD-ROM solves the sporadic problems associated with previous versions on 3 1/2-in. disks: software glitches, failed disks, and system incompatibilities. The quality and number of graphics and interactive exercises are much improved in this latest version. I particularly enjoyed the interactive explanations of significant figures and

Using a multicultural approach to teach chemistry and the nature of science to undergraduate non-majors

Science.gov (United States)

Goff, Peter; Boesdorfer, Sarah B.; Hunter, William

2012-09-01

This research documents the creation, implementation, and evaluation of a novel chemistry curriculum. The curriculum allowed students to create theories situated in a variety of cultures while they investigated chemical phenomena central to all civilizations; it was a way of synthesizing chemistry, the history and nature of science, inquiry, and multicultural education. Achieving both chemistry content and nature of science objectives were the main goals of the curriculum. A small sample of undergraduate students participated in the curriculum instead of attending a large lecture course. The novel curriculum covered the same chemistry topics as the large lecture course. Program efficacy was evaluated using a combination of grades, survey data, and interviews with the participating undergraduates. The results suggest that this curriculum was a successful start at engaging students and teaching them chemistry as well as nature of science concepts.

Multicultural chemistry and the nature of science: but what about knowledge?

Science.gov (United States)

Tan, Michael

2012-09-01

In response to Goff, Boesdorfer, and Hunter's article on the use of a multicultural approach to teaching chemistry and the nature of science, I forward this critical reflective essay to discuss more general curriculum aspects of the relationship between the nature of science and science education in school contexts. Taking a social realist perspective, I argue for a more nuanced understanding of the role of epistemology and ontology in science classrooms, and for a reconsideration of the role of knowledge in science classrooms.

Associateship | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Fellowship; Associateship. Associate Profile. Period: 2013–2016. Rajaraman, Dr Gopalan. Date of birth: 3 April 1979. Specialization: Computational Chemistry, Molecular Magnetism, Catalysis Address during Associateship: Dept. of Chemistry, IIT, Powai, Mumbai 400 076. Contact: Email: rajaraman@chem.iitb.ac.in.

Students' Science Attitudes, Beliefs, and Context: Associations with Science and Chemistry Aspirations

Science.gov (United States)

Mujtaba, Tamjid; Sheldrake, Richard; Reiss, Michael J.; Simon, Shirley

2018-01-01

There is a widespread concern that relatively few students, especially those from disadvantaged backgrounds, continue to study chemistry and other science subjects after compulsory education. Yet it remains unclear how different aspects of students' background and home context, their own attitudes and beliefs, and their experiences of particular…

The Effect of Using 3E, 5E Learning Cycle in General Chemistry Laboratory to Prospective Science Teachers Attitude and Perceptions to the Science, Chemistry and Laboratory

OpenAIRE

Toprak, Fatih; Çelikler, Dilek

2013-01-01

The study aimed to investigate the emerging changes in prospective science teachers" attitudes and perceptions towards science, chemistry and laboratory resulting from the implementation of 3E. 5E learning cycles and traditional instruction in laboratory environment in which learning is achieved by doing and experiencing. The study included 74 first grade prospective science teachers from Ondokuz Mayıs University at the Department of Science Education. In the study, quasi-experimental pre-tes...

An investigation of methods for injecting emissions from boreal wildfires using WRF-Chem during ARCTAS

OpenAIRE

W. R. Sessions; H. E. Fuelberg; R. A. Kahn; D. M. Winker

2010-01-01

The Weather Research and Forecasting Model (WRF) is considered a "next generation" mesoscale meteorology model. The inclusion of a chemistry module (WRF-Chem) allows transport simulations of chemical and aerosol species such as those observed during NASA's Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) in 2008. The ARCTAS summer deployment phase during June and July coincided with large boreal wildfires in Saskatchewan and Eastern Russia.

Chemistry Students' Challenges in Using MBL's in Science Laboratories.

Science.gov (United States)

Atar, Hakan Yavuz

Understanding students' challenges about using microcomputer based laboratories (MBLs) would provide important data in understanding the appropriateness of using MBLs in high school chemistry laboratories. Identifying students' concerns about this technology will in part help educators identify the obstacles to science learning when using this…

Inclusion of ash and SO2 emissions from volcanic eruptions in WRF-Chem: development and some applications

Directory of Open Access Journals (Sweden)

M. Stuefer

2013-04-01

Full Text Available We describe a new functionality within the Weather Research and Forecasting (WRF model with coupled Chemistry (WRF-Chem that allows simulating emission, transport, dispersion, transformation and sedimentation of pollutants released during volcanic activities. Emissions from both an explosive eruption case and a relatively calm degassing situation are considered using the most recent volcanic emission databases. A preprocessor tool provides emission fields and additional information needed to establish the initial three-dimensional cloud umbrella/vertical distribution within the transport model grid, as well as the timing and duration of an eruption. From this source condition, the transport, dispersion and sedimentation of the ash cloud can be realistically simulated by WRF-Chem using its own dynamics and physical parameterization as well as data assimilation. Examples of model applications include a comparison of tephra fall deposits from the 1989 eruption of Mount Redoubt (Alaska and the dispersion of ash from the 2010 Eyjafjallajökull eruption in Iceland. Both model applications show good coincidence between WRF-Chem and observations.

Associateship | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Fellowship; Associateship. Associate Profile. Period: 2013–2016. Maiti, Dr Debabrata. Date of birth: 10 December 1980. Specialization: Organometallic Chemistry, Bioinspired Catalysis Address during Associateship: Dept. of Chemistry, IIT, Mumbai 400 076. Contact: Email: dmaiti@chem.iitb.ac.in. YouTube; Twitter ...

A review of boiling water reactor water chemistry: Science, technology, and performance

International Nuclear Information System (INIS)

Fox, M.J.

1989-02-01

Boiling water reactor (BWR) water chemistry (science, technology, and performance) has been reviewed with an emphasis on the relationships between BWR water quality and corrosion fuel performance, and radiation buildup. A comparison of Nuclear Regulatory Commission (NRC) Regulatory Guide 1.56, the Boiling Water Reactor Owners Group (BWROG) Water Chemistry Guidelines, and Plant Technical Specifications showed that the BWROG Guidelines are more stringent than the NRC Regulatory Guide, which is almost identical to Plant Technical Specifications. Plant performance with respect to BWR water chemistry has shown dramatic improvements in recent years. Up until 1979 BWRs experienced an average of 3.0 water chemistry incidents per reactor-year. Since 1979 the water chemistry technical specifications have been violated an average of only 0.2 times per reactor-year, with the most recent data from 1986-1987 showing only 0.05 violations per reactor-year. The data clearly demonstrate the industry-wide commitment to improving water quality in BWRs. In addition to improving water quality, domestic BWRs are beginning to switch to hydrogen water chemistry (HWC), a remedy for intergranular stress corrosion cracking. Three domestic BWRs are presently operating on HWC, and fourteen more have either performed HWC mini tests or are in various stages of HWC implementation. This report includes a detailed review of HWC science and technology as well as areas in which further research on BWR chemistry may be needed. 43 refs., 30 figs., 8 tabs

Incorporation of a Chemical Equilibrium Equation of State into LOCI-Chem

Science.gov (United States)

Cox, Carey F.

2005-01-01

Renewed interest in development of advanced high-speed transport, reentry vehicles and propulsion systems has led to a resurgence of research into high speed aerodynamics. As this flow regime is typically dominated by hot reacting gaseous flow, efficient models for the characteristic chemical activity are necessary for accurate and cost effective analysis and design of aerodynamic vehicles that transit this regime. The LOCI-Chem code recently developed by Ed Luke at Mississippi State University for NASA/MSFC and used by NASA/MSFC and SSC represents an important step in providing an accurate, efficient computational tool for the simulation of reacting flows through the use of finite-rate kinetics [3]. Finite rate chemistry however, requires the solution of an additional N-1 species mass conservation equations with source terms involving reaction kinetics that are not fully understood. In the equilibrium limit, where the reaction rates approach infinity, these equations become very stiff. Through the use of the assumption of local chemical equilibrium the set of governing equations is reduced back to the usual gas dynamic equations, and thus requires less computation, while still allowing for the inclusion of reacting flow phenomenology. The incorporation of a chemical equilibrium equation of state module into the LOCI-Chem code was the primary objective of the current research. The major goals of the project were: (1) the development of a chemical equilibrium composition solver, and (2) the incorporation of chemical equilibrium solver into LOCI-Chem. Due to time and resource constraints, code optimization was not considered unless it was important to the proper functioning of the code.

Sulfur Geochemical Analysis and Interpretation with ChemCam on the Curiosity Rover

Science.gov (United States)

Clegg, S. M.; Anderson, R. B.; Frydenvang, J.; Forni, O.; Newsom, H. E.; Blaney, D. L.; Maurice, S.; Wiens, R. C.

2017-12-01

The Curiosity rover has encountered many forms of sulfur including calcium sulfate veins [1], hydrated Mg sulfates, and Fe sulfates along the traverse through Gale crater. A new SO3 calibration model for the remote Laser-Induced Breakdown Spectroscopy (LIBS) technique used by the ChemCam instrument enables improved quantitative analysis of SO3, which has not been previously reported by ChemCam on a routine or quantitative basis. In this paper, the details of this new LIBS calibration model will be described and applied to many disparate Mars targets. Among them, Mavor contains a calcium sulfate vein surrounded by bedrock. In contrast, Jake M. is a float rock, Wernecke is a bedrock, Cumberland and Windjana are drill targets. In 2015 the ChemCam instrument team completed a re-calibration of major elements based on a significantly expanded set of >500 geochemical standards using the ChemCam testbed at Los Alamos National Laboratory [2]. In addition to these standards, the SO3 compositional range was recently extended with a series of doped samples containing various mixtures of Ca- and Mg-sulfate with basalt BHVO2. Spectra from these standards were processed per [4]. Calibration and Mars spectra were converted to peak-area-summed LIBS spectra that enables the SO3 calibration. These peak-area spectra were used to generate three overlapping partial least squares (PLS1) calibration sub-models as described by Anderson et al. [3, 5]. ChemCam analysis of Mavor involved a 3x3 raster in which locations 5 and 6 primarily probed Ca-sulfate material. The new ChemCam SO3 compositions for Mavor 5 and Mavor 6 are 48.6±1.2 and 50.3±1.2 wt% SO3, respectively. The LIBS spectra also recorded the presence of other elements that are likely responsible for the departure from pure Ca-sulfate chemistry. On the low-abundance side, the remaining 7 Mavor locations, Jake M., Cumberland, Windjana, and Wernecke all contain much lower SO3, between 1.4±0.5 wt% and 2.3±0.3 wt% SO3. [1] Nachon et

Diagenetic Features Analyzed by ChemCam/Curiosity at Pahrump Hills, Gale Crater, Mars

Science.gov (United States)

Nachon, M.; Mangold, N.; Cousin, A.; Forni, O.; Anderson, R. B.; Blank, J. G.; Calef, F.; Clegg, S.; Fabre, C.; Fisk, M.;

Physical Chemistry for the Chemical and Biological Sciences (by Raymond Chang)

Science.gov (United States)

Pounds, Andrew

2001-05-01

This book does offer an alternative approach to physical chemistry that is particularly well suited for those who want to pursue a course of study more focused on the biological sciences. It could also be an excellent choice for schools that mainly serve preprofessional programs or for schools that have split physical chemistry tracks to independently serve the B.S. and B.A. degrees. Since the book focuses on single-variable mathematics, schools that require only one year of calculus for their chemistry degree could also think about adopting it. However, in general, the use of the text as a drop-in replacement for physical chemistry for the B.S. degree is questionable owing to its lack of focus on quantum mechanics and its implications for spectroscopy.

Quantitative Analysis of Science and Chemistry Textbooks for Indicators of Reform: A complementary perspective

Science.gov (United States)

Kahveci, Ajda

2010-07-01

In this study, multiple thematically based and quantitative analysis procedures were utilized to explore the effectiveness of Turkish chemistry and science textbooks in terms of their reflection of reform. The themes gender equity, questioning level, science vocabulary load, and readability level provided the conceptual framework for the analyses. An unobtrusive research method, content analysis, was used by coding the manifest content and counting the frequency of words, photographs, drawings, and questions by cognitive level. The context was an undergraduate chemistry teacher preparation program at a large public university in a metropolitan area in northwestern Turkey. Forty preservice chemistry teachers were guided to analyze 10 middle school science and 10 high school chemistry textbooks. Overall, the textbooks included unfair gender representations, a considerably higher number of input and processing than output level questions, and high load of science terminology. The textbooks failed to provide sufficient empirical evidence to be considered as gender equitable and inquiry-based. The quantitative approach employed for evaluation contrasts with a more interpretive approach, and has the potential in depicting textbook profiles in a more reliable way, complementing the commonly employed qualitative procedures. Implications suggest that further work in this line is needed on calibrating the analysis procedures with science textbooks used in different international settings. The procedures could be modified and improved to meet specific evaluation needs. In the Turkish context, next step research may concern the analysis of science textbooks being rewritten for the reform-based curricula to make cross-comparisons and evaluate a possible progression.

Improvements to the WRF-Chem 3.5.1 model for quasi-hemispheric simulations of aerosols and ozone in the Arctic

Science.gov (United States)

Marelle, Louis; Raut, Jean-Christophe; Law, Kathy S.; Berg, Larry K.; Fast, Jerome D.; Easter, Richard C.; Shrivastava, Manish; Thomas, Jennie L.

2017-10-01

In this study, the WRF-Chem regional model is updated to improve simulated short-lived pollutants (e.g., aerosols, ozone) in the Arctic. Specifically, we include in WRF-Chem 3.5.1 (with SAPRC-99 gas-phase chemistry and MOSAIC aerosols) (1) a correction to the sedimentation of aerosols, (2) dimethyl sulfide (DMS) oceanic emissions and gas-phase chemistry, (3) an improved representation of the dry deposition of trace gases over seasonal snow, and (4) an UV-albedo dependence on snow and ice cover for photolysis calculations. We also (5) correct the representation of surface temperatures over melting ice in the Noah Land Surface Model and (6) couple and further test the recent KF-CuP (Kain-Fritsch + Cumulus Potential) cumulus parameterization that includes the effect of cumulus clouds on aerosols and trace gases. The updated model is used to perform quasi-hemispheric simulations of aerosols and ozone, which are evaluated against surface measurements of black carbon (BC), sulfate, and ozone as well as airborne measurements of BC in the Arctic. The updated model shows significant improvements in terms of seasonal aerosol cycles at the surface and root mean square errors (RMSEs) for surface ozone, aerosols, and BC aloft, compared to the base version of the model and to previous large-scale evaluations of WRF-Chem in the Arctic. These improvements are mostly due to the inclusion of cumulus effects on aerosols and trace gases in KF-CuP (improved RMSE for surface BC and BC profiles, surface sulfate, and surface ozone), the improved surface temperatures over sea ice (surface ozone, BC, and sulfate), and the updated trace gas deposition and UV albedo over snow and ice (improved RMSE and correlation for surface ozone). DMS emissions and chemistry improve surface sulfate at all Arctic sites except Zeppelin, and correcting aerosol sedimentation has little influence on aerosols except in the upper troposphere.

Major Challenges for the Modern Chemistry in Particular and Science in General.

Science.gov (United States)

Uskokovíc, Vuk

2010-11-01

In the past few hundred years, science has exerted an enormous influence on the way the world appears to human observers. Despite phenomenal accomplishments of science, science nowadays faces numerous challenges that threaten its continued success. As scientific inventions become embedded within human societies, the challenges are further multiplied. In this critical review, some of the critical challenges for the field of modern chemistry are discussed, including: (a) interlinking theoretical knowledge and experimental approaches; (b) implementing the principles of sustainability at the roots of the chemical design; (c) defining science from a philosophical perspective that acknowledges both pragmatic and realistic aspects thereof; (d) instigating interdisciplinary research; (e) learning to recognize and appreciate the aesthetic aspects of scientific knowledge and methodology, and promote truly inspiring education in chemistry. In the conclusion, I recapitulate that the evolution of human knowledge inherently depends upon our ability to adopt creative problem-solving attitudes, and that challenges will always be present within the scope of scientific interests.

Liaison activities with the Institute of Physical Chemistry, Russian Academy of Sciences: FY 1997

International Nuclear Information System (INIS)

Delegard, C.H.; Elovich, R.J.

1997-09-01

The Institute of Physical Chemistry of the Russian Academy of Sciences is conducting a program of fundamental and applied research into the chemistry of the actinides and technetium in alkaline media such as are present in the Hanford Site underground waste storage tanks. This work is being coordinated and the results disseminated through a technical liaison maintained at the Pacific Northwest National Laboratory. The technical liaison is performing laboratory studies on plutonium chemistry in alkaline media. The activities at the Institute of Physical Chemistry and through the liaison are pursued to improve understanding of the chemical behavior of key long-lived radioactive elements under current operating and proposed tank waste processing conditions. Both activities are supported by the Efficient Separations and Processing Crosscutting Program under the Office of Science and Technology of the U.S. Department of Energy

Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

Energy Technology Data Exchange (ETDEWEB)

Crabtree, George [Argonne National Lab. (ANL), Argonne, IL (United States); Glotzer, Sharon [University of Michigan; McCurdy, Bill [University of California Davis; Roberto, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2010-07-26

This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of

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...

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…

Alkali trace elements in Gale crater, Mars, with ChemCam: Calibration update and geological implications

Science.gov (United States)

Payré, V.; Fabre, C.; Cousin, A.; Sautter, V.; Wiens, R. C.; Forni, O.; Gasnault, O.; Mangold, N.; Meslin, P.-Y.; Lasue, J.; Ollila, A.; Rapin, W.; Maurice, S.; Nachon, M.; Le Deit, L.; Lanza, N.; Clegg, S.

2017-03-01

The Chemistry Camera (ChemCam) instrument onboard Curiosity can detect minor and trace elements such as lithium, strontium, rubidium, and barium. Their abundances can provide some insights about Mars' magmatic history and sedimentary processes. We focus on developing new quantitative models for these elements by using a new laboratory database (more than 400 samples) that displays diverse compositions that are more relevant for Gale crater than the previous ChemCam database. These models are based on univariate calibration curves. For each element, the best model is selected depending on the results obtained by using the ChemCam calibration targets onboard Curiosity. New quantifications of Li, Sr, Rb, and Ba in Gale samples have been obtained for the first 1000 Martian days. Comparing these data in alkaline and magnesian rocks with the felsic and mafic clasts from the Martian meteorite NWA7533—from approximately the same geologic period—we observe a similar behavior: Sr, Rb, and Ba are more concentrated in soluble- and incompatible-element-rich mineral phases (Si, Al, and alkali-rich). Correlations between these trace elements and potassium in materials analyzed by ChemCam reveal a strong affinity with K-bearing phases such as feldspars, K-phyllosilicates, and potentially micas in igneous and sedimentary rocks. However, lithium is found in comparable abundances in alkali-rich and magnesium-rich Gale rocks. This very soluble element can be associated with both alkali and Mg-Fe phases such as pyroxene and feldspar. These observations of Li, Sr, Rb, and Ba mineralogical associations highlight their substitution with potassium and their incompatibility in magmatic melts.

Chemistry and Materials Science Directorate 2005 Annual Report

International Nuclear Information System (INIS)

Diaz De La Rubia, T; Fluss, M J; Rath, K; Rennie, G; Shang, S; Kitrinos, G

2006-01-01

In 1952, we began laboratory operations in the barracks building of the Naval Air Station with approximately 50 employees. Today, the Chemistry and Materials Science (CMS) Directorate is a major organization at the Lawrence Livermore National Laboratory with more than 500 employees who continue to contribute to our evolving national security mission. For more than half a century, the mission of the Laboratory revolved primarily around nuclear deterrence and associated defense technologies. Today, Livermore supports a broad-based national security mission, and our specialized capabilities increasingly support emerging missions in human health and energy security. In the future, CMS will play a significantly expanded role in science and technology at the intersection of national security, energy and environment, and health. Our world-class workforce will provide the science and technology base for radically innovative materials to our programs and sponsors. Our 2005 Annual Report describes how our successes and breakthroughs follow a path set forward by our strategic plan and four organizing research themes, each with key scientific accomplishments by our staff and collaborators. Organized into two major sections-research themes and dynamic teams, this report focuses on achievements arising from earlier investments that address future challenges. The research presented in this annual report gives substantive examples of how we are proceeding in each of these four theme areas and how they are aligned with our national security mission. Research Themes: (1) Materials Properties and Performance under Extreme Conditions--We are developing ultrahard nanocrystalline metals, exploring the properties of nanotubes when exposed to very high temperatures, and engineering stronger materials to meet future needs for materials that can withstand extreme conditions. (2) Chemistry under Extreme Conditions and Chemical Engineering to Support National-Security Programs--Our recent

Chemistry and Materials Science Directorate 2005 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Diaz De La Rubia, T; Fluss, M J; Rath, K; Rennie, G; Shang, S; Kitrinos, G

2006-08-08

In 1952, we began laboratory operations in the barracks building of the Naval Air Station with approximately 50 employees. Today, the Chemistry and Materials Science (CMS) Directorate is a major organization at the Lawrence Livermore National Laboratory with more than 500 employees who continue to contribute to our evolving national security mission. For more than half a century, the mission of the Laboratory revolved primarily around nuclear deterrence and associated defense technologies. Today, Livermore supports a broad-based national security mission, and our specialized capabilities increasingly support emerging missions in human health and energy security. In the future, CMS will play a significantly expanded role in science and technology at the intersection of national security, energy and environment, and health. Our world-class workforce will provide the science and technology base for radically innovative materials to our programs and sponsors. Our 2005 Annual Report describes how our successes and breakthroughs follow a path set forward by our strategic plan and four organizing research themes, each with key scientific accomplishments by our staff and collaborators. Organized into two major sections-research themes and dynamic teams, this report focuses on achievements arising from earlier investments that address future challenges. The research presented in this annual report gives substantive examples of how we are proceeding in each of these four theme areas and how they are aligned with our national security mission. Research Themes: (1) Materials Properties and Performance under Extreme Conditions--We are developing ultrahard nanocrystalline metals, exploring the properties of nanotubes when exposed to very high temperatures, and engineering stronger materials to meet future needs for materials that can withstand extreme conditions. (2) Chemistry under Extreme Conditions and Chemical Engineering to Support National-Security Programs--Our recent

Integrating the Liberal Arts and Chemistry: A Series of General Chemistry Assignments to Develop Science Literacy

Science.gov (United States)

Miller, Diane M.; Chengelis Czegan, Demetra A.

2016-01-01

This paper describes assignments that have been implemented in a General Chemistry I course to promote science literacy. This course was chosen in particular because it reaches a broad audience, which includes nonscience majors. The assignment series begins with several discussions and tasks to develop information literacy, in which students find…

Innovation Developments of Coal Chemistry Science in L.M. Litvinenko Institute of Physical-Organic Chemistry and Coal Chemistry of NAS of Ukraine

Directory of Open Access Journals (Sweden)

Shendrik, T.G.

2015-11-01

Full Text Available The article presents short historical review and innovation developments of Coal Chemistry Department of L.M. Litvinenko Institute, NAS of Ukraine connected with coal mine exploitation problems, search for decisions toward prevention of spontaneous combustion, dust control in mines, establishing structural chemical features of coal with different genesis and stages of metamorphism with the aim to develop new methods of their modification and rational use. The methods of obtaining inexpensive sorbents from Ukrainian raw materials (including carbon containing waste are proposed. The problems of modern coal chemistry science in IPOCC of NAS of Ukraine are outlined.

The Impact of Nursing Students' Prior Chemistry Experience on Academic Performance and Perception of Relevance in a Health Science Course

Science.gov (United States)

Boddey, Kerrie; de Berg, Kevin

2015-01-01

Nursing students have typically found the study of chemistry to be one of their major challenges in a nursing course. This mixed method study was designed to explore how prior experiences in chemistry might impact chemistry achievement during a health science unit. Nursing students (N = 101) studying chemistry as part of a health science unit were…

"Who Dunnit?": Learning Chemistry and Critical Thinking through Hands-On Forensic Science.

Science.gov (United States)

Demetry, Chrysanthe; Nicoletti, Denise; Mix, Kimberlee; O'Connor, Kerri; Martin, Andrea

2002-01-01

Demonstrates how forensic science can be used as a framework for generating student interest and learning in chemistry and promoting critical thinking. The "Who Dunnit?" forensic science workshop was developed by undergraduate students and is one element of a two-week residential summer outreach program that seeks to develop interest in…

WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous processes on night-time chemistry over north-western Europe

Directory of Open Access Journals (Sweden)

D. Lowe

2015-02-01

Full Text Available Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5 heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem model simulations, run with a detailed volatile organic compound (VOC gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.7–0.9 for NO2 and O3. However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6. Sulfate mass loadings were particularly low (modelled means of 0.5–0.7 μg kg−1air, compared with measurements of 1.0–1.5 μg kg−1air. Two flights from the campaign were used as test cases – one with low relative humidity (RH (60–70%, the other with high RH (80–90%. N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles. The night-time NO3 oxidation of VOCs across the whole region was found to be 100–300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less

Chemistry of diagenetic features analyzed by ChemCam at Pahrump Hills, Gale crater, Mars

Science.gov (United States)

Nachon, Marion; Mangold, Nicolas; Forni, Olivier; Kah, Linda C.; Cousin, Agnes; Wiens, Roger C.; Anderson, Ryan; Blaney, Diana L.; Blank, Jen G.; Calef, Fred J.; Clegg, Samuel M.; Fabre, Cecile; Fisk, Martin R.; Gasnault, Olivier; Grotzinger, John P.; Kronyak, Rachel; Lanza, Nina L.; Lasue, Jeremie; Le Deit, Laetitia; Le Mouelic, Stephane; Maurice, Sylvestre; Meslin, Pierre-Yves; Oehler, D. Z.; Payre, Valerie; Rapin, William; Schroder, Susanne; Stack, Katherine M.; Sumner, Dawn

2017-01-01

The Curiosity rover's campaign at Pahrump Hills provides the first analyses of lower Mount Sharp strata. Here we report ChemCam elemental composition of a diverse assemblage of post-depositional features embedded in, or cross-cutting, the host rock. ChemCam results demonstrate their compositional diversity, especially compared to the surrounding host rock: (i) Dendritic aggregates and relief enhanced features, characterized by a magnesium enhancement and sulfur detection, and interpreted as Mg-sulfates; (ii) A localized observation that displays iron enrichment associated with sulfur, interpreted as Fe-sulfate; (iii) Dark raised ridges with varying Mg- and Ca-enriched compositions compared to host rock; (iv) Several dark-toned veins with calcium enhancement associated with fluorine detection, interpreted as fluorite veins. (v) Light-toned veins with enhanced calcium associated with sulfur detection, and interpreted as Ca-sulfates. The diversity of the Pahrump Hills diagenetic assemblage suggests a complex post-depositional history for fine-grained sediments for which the origin has been interpreted as fluvial and lacustrine. Assessment of the spatial and relative temporal distribution of these features shows that the Mg-sulfate features are predominant in the lower part of the section, suggesting local modification of the sediments by early diagenetic fluids. In contrast, light-toned Ca-sulfate veins occur in the whole section and cross-cut all other features. A relatively late stage shift in geochemical conditions could explain this observation. The Pahrump Hills diagenetic features have no equivalent compared to targets analyzed in other locations at Gale crater. Only the light-toned Ca-sulfate veins are present elsewhere, along Curiosity's path, suggesting they formed through a common late-stage process that occurred at over a broad area.

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,…

PubChem atom environments.

Science.gov (United States)

Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H

2015-01-01

seemingly due to erroneous interpretation of structures from patent data. Compared to fragmentation statistics published 40 years ago, the exponential growth in chemistry is mirrored in a nearly eightfold increase in the number of unique chemical fragments; however, this result is clearly an upper bound estimate as earlier studies employed structure sampling approaches and this study shows that a relatively high rate of atom fragments are found in only a single chemical structure (singletons). In addition, the percentage of singletons grows as the size of the chemical fragment is increased. The observed growth of the numbers of unique fragments over time suggests that many chemically possible connections of atom types to larger fragments have yet to be explored by chemists. A dramatic drop in the relative rate of increase of atom environments from smaller to larger fragments shows that larger fragments mainly consist of diverse combinations of a limited subset of smaller fragments. This is further supported by the observed concomitant increase of singleton atom environments. Combined, these findings suggest that there is considerable opportunity for chemists to combine known fragments to novel chemical compounds. The comparison of PubChem to an older study of known chemical structures shows noticeable differences. The changes suggest advances in synthetic capabilities of chemists to combine atoms in new patterns. Log-log plots of fragment incidence show small numbers of fragments are found in many structures and that large numbers of fragments are found in very few structures, with nearly half being novel using the methods in this work. The relative decrease in the count of new fragments as a function of size further suggests considerable opportunity for more novel chemicals exists. Lastly, the differences in atom environment diversity between PubChem Substance and Compound showcase the effect of PubChem standardization protocols, but also indicate that a normalization

A Flipped Classroom Redesign in General Chemistry

Science.gov (United States)

Reid, Scott A.

2016-01-01

The flipped classroom continues to attract significant attention in higher education. Building upon our recent parallel controlled study of the flipped classroom in a second-term general chemistry course ("J. Chem. Educ.," 2016, 93, 13-23), here we report on a redesign of the flipped course aimed at scaling up total enrollment while…

The Effect of Guided-Inquiry Laboratory Experiments on Science Education Students' Chemistry Laboratory Attitudes, Anxiety and Achievement

Science.gov (United States)

Ural, Evrim

2016-01-01

The study aims to search the effect of guided inquiry laboratory experiments on students' attitudes towards chemistry laboratory, chemistry laboratory anxiety and their academic achievement in the laboratory. The study has been carried out with 37 third-year, undergraduate science education students, as a part of their Science Education Laboratory…

Representation and Analysis of Chemistry Core Ideas in Science Education Standards between China and the United States

Science.gov (United States)

Wan, Yanlan; Bi, Hualin

2016-01-01

Chemistry core ideas play an important role in students' chemistry learning. On the basis of the representations of chemistry core ideas about "substances" and "processes" in the Chinese Chemistry Curriculum Standards (CCCS) and the U.S. Next Generation Science Standards (NGSS), we conduct a critical comparison of chemistry…

Technical liaison with the Institute of Physical Chemistry (Russian Academy of Science)

International Nuclear Information System (INIS)

Delegard, C.H.

1995-12-01

The Institute of Physical Chemistry of the Russian Academy of Science (IPC/RAS) is engaged by the DOE to conduct studies of the fundamental and applied chemistry of the transuranium elements (TRU; primarily neptunium, plutonium, and americium; Np, Pu, Am) and technetium T c in alkaline media. This work is being supported by the DOE because the radioactive wastes stored in underground tanks at DOE sites (Hanford, Savannah River, and Oak Ridge) contain TRU and T c , are alkaline, and the chemistries of TRU and T c are not well developed in this system. Previous studies at the IPC/RAS centered on the fundamental chemistry and on coprecipitation. Work continuing in FY 1996 will focus more on the applied chemistry of the TRU and T c in alkaline media and continue effort on the coprecipitation task

Before big science the pursuit of modern chemistry and physics, 1800-1940

CERN Document Server

Nye, Mary Jo

1999-01-01

Today's vast multinational scientific monoliths bear little resemblance to the modest laboratories of the early nineteenth century. Yet early in the nineteenth century--when heat and electricity were still counted among the elements--changes were already under way that would revolutionize chemistry and physics into the "big science" of the late twentieth century, expanding tiny, makeshift laboratories into bustling research institutes and replacing the scientific amateurs and generalist savants of the early Victorian era with the professional specialists of contemporary physical science. Mary Jo Nye traces the social and intellectual history of the physical sciences from the early 1800s to the beginning of the Second World War, examining the sweeping transformation of scientific institutions and professions during the period and the groundbreaking experiments that fueled that change, from the earliest investigations of molecular chemistry and field dynamics to the revolutionary breakthroughs of quantum mecha...

Iodine's impact on tropospheric oxidants: a global model study in GEOS-Chem

Directory of Open Access Journals (Sweden)

T. Sherwen

2016-02-01

Full Text Available We present a global simulation of tropospheric iodine chemistry within the GEOS-Chem chemical transport model. This includes organic and inorganic iodine sources, standard gas-phase iodine chemistry, and simplified higher iodine oxide (I2OX, X = 2, 3, 4 chemistry, photolysis, deposition, and parametrized heterogeneous reactions. In comparisons with recent iodine oxide (IO observations, the simulation shows an average bias of  ∼ +90 % with available surface observations in the marine boundary layer (outside of polar regions, and of  ∼ +73 % within the free troposphere (350 hPa  <  p  <  900 hPa over the eastern Pacific. Iodine emissions (3.8 Tg yr−1 are overwhelmingly dominated by the inorganic ocean source, with 76 % of this emission from hypoiodous acid (HOI. HOI is also found to be the dominant iodine species in terms of global tropospheric IY burden (contributing up to 70 %. The iodine chemistry leads to a significant global tropospheric O3 burden decrease (9.0 % compared to standard GEOS-Chem (v9-2. The iodine-driven OX loss rate1 (748 Tg OX yr−1 is due to photolysis of HOI (78 %, photolysis of OIO (21 %, and reaction between IO and BrO (1 %. Increases in global mean OH concentrations (1.8 % by increased conversion of hydroperoxy radicals exceeds the decrease in OH primary production from the reduced O3 concentration. We perform sensitivity studies on a range of parameters and conclude that the simulation is sensitive to choices in parametrization of heterogeneous uptake, ocean surface iodide, and I2OX (X = 2, 3, 4 photolysis. The new iodine chemistry combines with previously implemented bromine chemistry to yield a total bromine- and iodine-driven tropospheric O3 burden decrease of 14.4 % compared to a simulation without iodine and bromine chemistry in the model, and a small increase in OH (1.8 %. This is a significant impact and so halogen chemistry needs to be

Russian science readings (chemistry, physics, biology)

CERN Document Server

Light, L

1949-01-01

Some years' experience in teaching Russian to working scientists who had already acquired the rudiments of the grammar convinced me of the need for a reader of the present type that would smooth the path of those wishing to study Russian scientific literature in the original. Although the subject matter comprises what I have described for convenience as chemistry, physics and biology, it could be read with equal profit by those engaged in any branch of pure or applied science. All the passages are taken from school textbooks, and acknowledgements are due to the authors of the works listed at the foot of the contents page.

Development and Nature of Preservice Chemistry Teachers' Pedagogical Content Knowledge for Nature of Science

Science.gov (United States)

Demirdöğen, Betül; Hanuscin, Deborah L.; Uzuntiryaki-Kondakci, Esen; Köseoğlu, Fitnat

2016-08-01

The purpose of this case study is to delve into the complexities of the early development of preservice chemistry teachers' science teaching orientations, knowledge of learners, knowledge of instructional strategies, and knowledge of assessment during a two-semester intervention designed to enhance their pedagogical content knowledge (PCK) for teaching nature of science (NOS). Thirty preservice chemistry teachers enrolled in a Research in Science Education course participated in the study. Qualitative data sources included responses to an open-ended instrument, interviews, observations, and artifacts such as lesson plans and reflection papers. Through the in-depth analysis of explicit PCK and constant comparative method of analysis, we identified the influence of the intervention on participants' PCK for NOS. Analysis of data revealed four major themes related to the nature of preservice chemistry teachers' NOS teaching practices and their PCK for NOS: (1) prerequisite knowledge and beliefs are necessary to teach NOS, (2) there is a developmental progression of PCK for NOS from knowledge to application level, (3) teachers need some comfort in their NOS understanding to teach NOS, and (4) the higher integration of PCK components leads to successful NOS teaching practices. Implications for science teacher education and research are discussed.

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)…

Domestic science: making chemistry your cup of tea.

Science.gov (United States)

Keene, Melanie

2008-03-01

In the early Victorian home, there were plenty of scientific lessons to be uncovered. With the appropriate interrogation, everyday objects could transform seemingly mundane activities such as eating breakfast, washing clothes or reading by candle-light into household lectures that gave children a familiar base from which to explore the hidden properties and marvellous histories of common commodities. Responding to an unprecedented hunger for scientific knowledge, a profusion of introductory texts appeared in the mid-nineteenth century that directed lessons into homes across Britain and beyond. In particular, the science of chemistry found its way into this domestic setting, as writers promoted its practice and practitioners as a source of authoritative expertise on everyday life. One of the most compelling illustrations of this encounter between the public and chemistry took place over a simple cup of tea.

Computer information resources of inorganic chemistry and materials science

International Nuclear Information System (INIS)

Kiselyova, N N; Dudarev, V A; Zemskov, V S

2010-01-01

Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

Computer information resources of inorganic chemistry and materials science

Energy Technology Data Exchange (ETDEWEB)

Kiselyova, N N; Dudarev, V A; Zemskov, V S [A.A.Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences, Moscow (Russian Federation)

2010-02-28

Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

Demonstrating the facticity of facts: university lectures and chemistry as a science in Germany around 1800.

Science.gov (United States)

Frercks, Jan

2010-03-01

In this article, I argue that chemical lectures at universities played a crucial role in the establishment of chemistry as a well-defined science in Germany around 1800. In particular, lecture demonstrations served to secure the facticity of facts. This was important, because the concept of the chemical fact was at the centre of the prevailing epistemology, which itself partly reflected the social order of chemistry as a science in Germany, and partly served to foster it. In the dialectic constellation of research and teaching, professor-chemists took the lead in the social and epistemological definition of chemistry.

Alkali trace elements in Gale crater, Mars, with ChemCam: Calibration update and geological implications

International Nuclear Information System (INIS)

Payre, Valerie; Fabre, Cecile; Cousin, Agnes; Sautter, Violaine; Wiens, Roger Craig

2017-01-01

The Chemistry Camera (ChemCam) instrument onboard Curiosity can detect minor and trace elements such as lithium, strontium, rubidium, and barium. Their abundances can provide some insights about Mars' magmatic history and sedimentary processes. We focus on developing new quantitative models for these elements by using a new laboratory database (more than 400 samples) that displays diverse compositions that are more relevant for Gale crater than the previous ChemCam database. These models are based on univariate calibration curves. For each element, the best model is selected depending on the results obtained by using the ChemCam calibration targets onboard Curiosity. New quantifications of Li, Sr, Rb, and Ba in Gale samples have been obtained for the first 1000 Martian days. Comparing these data in alkaline and magnesian rocks with the felsic and mafic clasts from the Martian meteorite NWA7533—from approximately the same geologic period—we observe a similar behavior: Sr, Rb, and Ba are more concentrated in soluble- and incompatible-element-rich mineral phases (Si, Al, and alkali-rich). Correlations between these trace elements and potassium in materials analyzed by ChemCam reveal a strong affinity with K-bearing phases such as feldspars, K-phyllosilicates, and potentially micas in igneous and sedimentary rocks. However, lithium is found in comparable abundances in alkali-rich and magnesium-rich Gale rocks. This very soluble element can be associated with both alkali and Mg-Fe phases such as pyroxene and feldspar. Here, these observations of Li, Sr, Rb, and Ba mineralogical associations highlight their substitution with potassium and their incompatibility in magmatic melts.

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

Teaching Chemistry in a Spiral Progression Approach: Lessons from Science Teachers in the Philippines

Science.gov (United States)

Orbe, Joymie R.; Espinosa, Allen A.; Datukan, Janir T.

2018-01-01

As the Philippines moves towards implementing the K-12 curriculum, there has been a mismatch in teacher preparation in science. The present teacher education curriculum prepares science teachers to specialise in a specific field (e.g. integrated science, biology, chemistry, and physics). However, in the K-12 curriculum, they are required to teach…

Radiation chemistry from basics to applications in material and life sciences

International Nuclear Information System (INIS)

Belloni, J.; Mostafavi, M.; Douki, Th.; Spotheim-Maurizot, M.

2008-01-01

This book gives a progress report on the many and original contributions of radiation chemistry to the fundamental knowledge of the vast domain of chemical reactions and its applications. Radiation chemistry techniques indeed make it possible to elucidate detailed physicochemical mechanisms in inorganic and organic chemistry (including in space) and in biochemistry. Moreover, this comprehension is applied in materials science to precisely control syntheses by radiation, such as radiopolymerization, radio-grafting, specific treatment of surfaces (textiles, paintings, inks,..), synthesis of complex nano-materials, degradation of environmental pollutants and radioresistance of materials for nuclear reactors. In life sciences, the study of the effects of radiation on bio-macromolecules (DNA, proteins, lipids) not only permits the comprehension of normal or pathological biological mechanisms, but also the improvement of our health. In particular, many advances in cancer radiotherapy, in the radioprotection of nuclear workers and the general population, as well as in the treatment of diseases and the radiosterilization of drugs, could be obtained thanks to this research. Abundantly illustrated and written in English by top international specialists who have taken care to render the subjects accessible, this work will greatly interest those curious about a scientific field that is new to them and students attracted by the original and multidisciplinary aspects of the field. At a time when radiation chemistry research is experiencing spectacular development in numerous countries, this book will attract newcomers to the field. (authors)

An investigation of methods for injecting emissions from boreal wildfires using WRF-Chem during ARCTAS

Science.gov (United States)

Sessions, W. R.; Fuelberg, H. E.; Kahn, R. A.; Winker, D. M.

2011-06-01

The Weather Research and Forecasting Model (WRF) is considered a "next generation" mesoscale meteorology model. The inclusion of a chemistry module (WRF-Chem) allows transport simulations of chemical and aerosol species such as those observed during NASA's Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) in 2008. The ARCTAS summer deployment phase during June and July coincided with large boreal wildfires in Saskatchewan and Eastern Russia. One of the most important aspects of simulating wildfire plume transport is the height at which emissions are injected. WRF-Chem contains an integrated one-dimensional plume rise model to determine the appropriate injection layer. The plume rise model accounts for thermal buoyancy associated with fires and local atmospheric stability. This paper describes a case study of a 10 day period during the Spring phase of ARCTAS. It compares results from the plume model against those of two more traditional injection methods: Injecting within the planetary boundary layer, and in a layer 3-5 km above ground level. Fire locations are satellite derived from the GOES Wildfire Automated Biomass Burning Algorithm (WF_ABBA) and the MODIS thermal hotspot detection. Two methods for preprocessing these fire data are compared: The prep_chem_sources method included with WRF-Chem, and the Naval Research Laboratory's Fire Locating and Monitoring of Burning Emissions (FLAMBE). Results from the simulations are compared with satellite-derived products from the AIRS, MISR and CALIOP sensors. When FLAMBE provides input to the 1-D plume rise model, the resulting injection heights exhibit the best agreement with satellite-observed injection heights. The FLAMBE-derived heights are more realistic than those utilizing prep_chem_sources. Conversely, when the planetary boundary layer or the 3-5 km a.g.l. layer were filled with emissions, the resulting injection heights exhibit less agreement with observed plume heights

Towards Eco-reflexive Science Education. A Critical Reflection About Educational Implications of Green Chemistry

Science.gov (United States)

Sjöström, Jesper; Eilks, Ingo; Zuin, Vânia G.

2016-05-01

The modern world can be described as a globalized risk society. It is characterized by increasing complexity, unpredictable consequences of techno-scientific innovations and production, and its environmental consequences. Therefore, chemistry, just like many other knowledge areas, is in an ongoing process of environmentalization. For example, green chemistry has emerged as a new chemical metadiscipline and movement. The philosophy of green chemistry was originally based on a suggestion of twelve principles for environment-friendly chemistry research and production. The present article problematizes limitations in green chemistry when it comes to education. It argues that the philosophy of green chemistry in the context of education needs to be extended with socio-critical perspectives to form educated professionals and citizens who are able to understand the complexity of the world, to make value-based decisions, and to become able to engage more thoroughly in democratic decision-making on sustainability issues. Different versions of sustainability-oriented science/chemistry education are discussed to sharpen a focus on the most complex type, which is Bildung-oriented, focusing emancipation and leading to eco-reflexive education. The term eco- reflexive is used for a problematizing stance towards the modern risk society, an understanding of the complexity of life and society and their interactions, and a responsibility for individual and collective actions towards socio-ecojustice and global sustainability. The philosophical foundation and characteristics of eco-reflexive science education are sketched on in the article.

Application of Weather Research and Forecasting Model with Chemistry (WRF/Chem) over northern China: Sensitivity study, comparative evaluation, and policy implications

Science.gov (United States)

Wang, Litao; Zhang, Yang; Wang, Kai; Zheng, Bo; Zhang, Qiang; Wei, Wei

2016-01-01

An extremely severe and persistent haze event occurred over the middle and eastern China in January 2013, with the record-breaking high concentrations of fine particulate matter (PM2.5). In this study, an online-coupled meteorology-air quality model, the Weather Research and Forecasting Model with Chemistry (WRF/Chem), is applied to simulate this pollution episode over East Asia and northern China at 36- and 12-km grid resolutions. A number of simulations are conducted to examine the sensitivities of the model predictions to various physical schemes. The results show that all simulations give similar predictions for temperature, wind speed, wind direction, and humidity, but large variations exist in the prediction for precipitation. The concentrations of PM2.5, particulate matter with aerodynamic diameter of 10 μm or less (PM10), sulfur dioxide (SO2), and nitrogen dioxide (NO2) are overpredicted partially due to the lack of wet scavenging by the chemistry-aerosol option with the 1999 version of the Statewide Air Pollution Research Center (SAPRC-99) mechanism with the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) and the Volatility Basis Set (VBS) for secondary organic aerosol formation. The optimal set of configurations with the best performance is the simulation with the Gorddard shortwave and RRTM longwave radiation schemes, the Purdue Lin microphysics scheme, the Kain-Fritsch cumulus scheme, and a nudging coefficient of 1 × 10-5 for water vapor mixing ratio. The emission sensitivity simulations show that the PM2.5 concentrations are most sensitive to nitrogen oxide (NOx) and SO2 emissions in northern China, but to NOx and ammonia (NH3) emissions in southern China. 30% NOx emission reductions may result in an increase in PM2.5 concentrations in northern China because of the NH3-rich and volatile organic compound (VOC) limited conditions over this area. VOC emission reductions will lead to a decrease in PM2.5 concentrations in eastern China

The Sequencing of Basic Chemistry Topics by Physical Science Teachers

Science.gov (United States)

Sibanda, Doras; Hobden, Paul

2016-01-01

The purpose of this study was to find out teachers' preferred teaching sequence for basic chemistry topics in Physical Science in South Africa, to obtain their reasons underpinning their preferred sequence, and to compare these sequences with the prescribed sequences in the current curriculum. The study was located within a pragmatic paradigm and…

Opportunities in chemistry and materials science for topological insulators and their nanostructures

KAUST Repository

Kong, Desheng; Cui, Yi

2011-01-01

of these exotic materials to use the metallic states in functional devices, and they present great opportunities for the chemistry and materials science research communities. © 2011 Macmillan Publishers Limited. All rights reserved.

Improvements to the WRF-Chem 3.5.1 model for quasi-hemispheric simulations of aerosols and ozone in the Arctic

Directory of Open Access Journals (Sweden)

L. Marelle

2017-10-01

Full Text Available In this study, the WRF-Chem regional model is updated to improve simulated short-lived pollutants (e.g., aerosols, ozone in the Arctic. Specifically, we include in WRF-Chem 3.5.1 (with SAPRC-99 gas-phase chemistry and MOSAIC aerosols (1 a correction to the sedimentation of aerosols, (2 dimethyl sulfide (DMS oceanic emissions and gas-phase chemistry, (3 an improved representation of the dry deposition of trace gases over seasonal snow, and (4 an UV-albedo dependence on snow and ice cover for photolysis calculations. We also (5 correct the representation of surface temperatures over melting ice in the Noah Land Surface Model and (6 couple and further test the recent KF-CuP (Kain–Fritsch + Cumulus Potential cumulus parameterization that includes the effect of cumulus clouds on aerosols and trace gases. The updated model is used to perform quasi-hemispheric simulations of aerosols and ozone, which are evaluated against surface measurements of black carbon (BC, sulfate, and ozone as well as airborne measurements of BC in the Arctic. The updated model shows significant improvements in terms of seasonal aerosol cycles at the surface and root mean square errors (RMSEs for surface ozone, aerosols, and BC aloft, compared to the base version of the model and to previous large-scale evaluations of WRF-Chem in the Arctic. These improvements are mostly due to the inclusion of cumulus effects on aerosols and trace gases in KF-CuP (improved RMSE for surface BC and BC profiles, surface sulfate, and surface ozone, the improved surface temperatures over sea ice (surface ozone, BC, and sulfate, and the updated trace gas deposition and UV albedo over snow and ice (improved RMSE and correlation for surface ozone. DMS emissions and chemistry improve surface sulfate at all Arctic sites except Zeppelin, and correcting aerosol sedimentation has little influence on aerosols except in the upper troposphere.

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.

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 ...

Using Self-Reflection To Increase Science Process Skills in the General Chemistry Laboratory

Science.gov (United States)

Veal, William R.; Taylor, Dawne; Rogers, Amy L.

2009-03-01

Self-reflection is a tool of instruction that has been used in the science classroom. Research has shown great promise in using video as a learning tool in the classroom. However, the integration of self-reflective practice using video in the general chemistry laboratory to help students develop process skills has not been done. Immediate video feedback and direct instruction were employed in a general chemistry laboratory course to improve students' mastery and understanding of basic and advanced process skills. Qualitative results and statistical analysis of quantitative data proved that self-reflection significantly helped students develop basic and advanced process skills, yet did not seem to influence the general understanding of the science content.

Analysis Science Process Skills Content in Chemistry Textbooks Grade XI at Solubility and Solubility Product Concept

Directory of Open Access Journals (Sweden)

Bayu Antrakusuma

2017-12-01

Full Text Available The aim of this research was to determine the analysis of science process skills in textbooks of chemistry grade XI in SMA N 1 Teras, Boyolali. This research used the descriptive method. The instruments were developed based on 10 indicators of science process skills (observing, classifying, finding a conclusion, predicting, raising the question, hypothesizing, planning an experiment, manipulating materials, and equipment, Applying, and communicating. We analyzed 3 different chemistry textbooks that often used by teachers in teaching. The material analyzed in the book was solubility and solubility product concept in terms of concept explanation and student activity. The results of this research showed different science process skill criteria in 3 different chemistry textbooks. Book A appeared 50% of all aspects of science process skills, in Book B appeared 80% of all aspects of science process skills, and in Book C there was 40% of all aspects of the science process skills. The most common indicator in all books was observing (33.3%, followed by prediction (19.05%, classifying (11.90%, Applying (11.90% , planning experiments (9.52%, manipulating materials and equipment (7.14%, finding conclusion (4.76%, communicating (2.38%. Asking the question and hypothesizing did not appear in textbooks.

Lightning NOx emissions over the USA constrained by TES ozone observations and the GEOS-Chem model

Science.gov (United States)

Jourdain, L.; Kulawik, S. S.; Worden, H. M.; Pickering, K. E.; Worden, J.; Thompson, A. M.

2010-01-01

Improved estimates of NOx from lightning sources are required to understand tropospheric NOx and ozone distributions, the oxidising capacity of the troposphere and corresponding feedbacks between chemistry and climate change. In this paper, we report new satellite ozone observations from the Tropospheric Emission Spectrometer (TES) instrument that can be used to test and constrain the parameterization of the lightning source of NOx in global models. Using the National Lightning Detection (NLDN) and the Long Range Lightning Detection Network (LRLDN) data as well as the HYPSLIT transport and dispersion model, we show that TES provides direct observations of ozone enhanced layers downwind of convective events over the USA in July 2006. We find that the GEOS-Chem global chemistry-transport model with a parameterization based on cloud top height, scaled regionally and monthly to OTD/LIS (Optical Transient Detector/Lightning Imaging Sensor) climatology, captures the ozone enhancements seen by TES. We show that the model's ability to reproduce the location of the enhancements is due to the fact that this model reproduces the pattern of the convective events occurrence on a daily basis during the summer of 2006 over the USA, even though it does not well represent the relative distribution of lightning intensities. However, this model with a value of 6 Tg N/yr for the lightning source (i.e.: with a mean production of 260 moles NO/Flash over the USA in summer) underestimates the intensities of the ozone enhancements seen by TES. By imposing a production of 520 moles NO/Flash for lightning occurring in midlatitudes, which better agrees with the values proposed by the most recent studies, we decrease the bias between TES and GEOS-Chem ozone over the USA in July 2006 by 40%. However, our conclusion on the strength of the lightning source of NOx is limited by the fact that the contribution from the stratosphere is underestimated in the GEOS-Chem simulations.

The Development of a Combined Search for a Heterogeneous Chemistry Database

Directory of Open Access Journals (Sweden)

Lulu Jiang

2015-05-01

Full Text Available A combined search, which joins a slow molecule structure search with a fast compound property search, results in more accurate search results and has been applied in several chemistry databases. However, the problems of search speed differences and combining the two separate search results are two major challenges. In this paper, two kinds of search strategies, synchronous search and asynchronous search, are proposed to solve these problems in the heterogeneous structure database and the property database found in ChemDB, a chemistry database owned by the Institute of Process Engineering, CAS. Their advantages and disadvantages under different conditions are discussed in detail. Furthermore, we applied these two searches to ChemDB and used them to screen for potential molecules that can work as CO2 absorbents. The results reveal that this combined search discovers reasonable target molecules within an acceptable time frame.

Increasing character value and conservation behavior through integrated ethnoscience chemistry in chemistry learning: A Case Study in The Department of Science Universitas Negeri Semarang.

Science.gov (United States)

Sudarmin; Sumarni, Woro

2018-04-01

The purpose of this study was to obtain a factual picture of the improvement of students' conservation character and conservation behavior through the application integrated ethnoscience chemistry learning. This research was a case study on students majoring in the Department Of Science Mathematics and Natural Science Faculty Universitas Negeri Semarang. The subjects of the study were 30 students attending ethnoscience course in one of the teacher education institutions in the even semester of the academic year of 2016/2017. The subjects were given chemistry learning integrated into ethnoscience for eight weeks. The technique of data collection was done by using attitude scale arranged based on Likert scale. The data were analyzed by using qualitative descriptive. The results showed that the integrated ethnoscience chemistry learning contributed positively to the improvement of the character value and conservation behavior

Parallel Worlds of Public and Commercial Bioactive Chemistry Data

Science.gov (United States)

2014-01-01

The availability of structures and linked bioactivity data in databases is powerfully enabling for drug discovery and chemical biology. However, we now review some confounding issues with the divergent expansions of public and commercial sources of chemical structures. These are associated with not only expanding patent extraction but also increasingly large vendor collections amassed via different selection criteria between SciFinder from Chemical Abstracts Service (CAS) and major public sources such as PubChem, ChemSpider, UniChem, and others. These increasingly massive collections may include both real and virtual compounds, as well as so-called prophetic compounds from patents. We address a range of issues raised by the challenges faced resolving the NIH probe compounds. In addition we highlight the confounding of prior-art searching by virtual compounds that could impact the composition of matter patentability of a new medicinal chemistry lead. Finally, we propose some potential solutions. PMID:25415348

Examining the Effects of Reflective Journals on Pre-Service Science Teachers' General Chemistry Laboratory Achievement

Science.gov (United States)

Cengiz, Canan; Karatas, Faik Özgür

2015-01-01

The general chemistry laboratory is an appropriate place for learning chemistry well. It is also effective for stimulating higher-order thinking skills, including reflective thinking, a skill that is crucial for science teaching as well as learning. This study aims to examine the effects of feedback-supported reflective journal-keeping activities…

Assessing Student Knowledge of Chemistry and Climate Science Concepts Associated with Climate Change: Resources to Inform Teaching and Learning

Science.gov (United States)

Versprille, Ashley; Zabih, Adam; Holme, Thomas A.; McKenzie, Lallie; Mahaffy, Peter; Martin, Brian; Towns, Marcy

2017-01-01

Climate change is one of the most critical problems facing citizens today. Chemistry faculty are presented with the problem of making general chemistry content simultaneously relevant and interesting. Using climate science to teach chemistry allows faculty to help students learn chemistry content in a rich context. Concepts related to…

A Festival of Contemporary Science for Science Teachers

Science.gov (United States)

Harrison, Tim; Berry, Bryan; Shallcross, Dudley

2010-01-01

In this article, the authors describe the first Festival of Contemporary Science for Science Teachers which was held in January 2010. Focusing on a number of leading-edge science topics, this new festival was organised by Bristol ChemLabS, in collaboration with the Science Learning Centre South West, and involved academics from several departments…

radEq Add-On Module for CFD Solver Loci-CHEM

Science.gov (United States)

McCloud, Peter

2013-01-01

Loci-CHEM to be applied to flow velocities where surface radiation due to heating from compression and friction becomes significant. The module adds a radiation equilibrium boundary condition to the computational fluid dynamics (CFD) code to produce accurate results. The module expanded the upper limit for accurate CFD solutions of Loci-CHEM from Mach 4 to Mach 10 based on Space Shuttle Orbiter Re-Entry trajectories. Loci-CHEM already has a very promising architecture and performance, but absence of radiation equilibrium boundary condition limited the application of Loci-CHEM to below Mach 4. The immediate advantage of the add-on module is that it allows Loci-CHEM to work with supersonic flows up to Mach 10. This transformed Loci-CHEM from a rocket engine- heritage CFD code with general subsonic and low-supersonic applications, to an aeroheating code with hypersonic applications. The follow-on advantage of the module is that it is a building block for additional add-on modules that will solve for the heating generated at Mach numbers higher than 10.

DayCent-Chem Simulations of Ecological and Biogeochemical Processes of Eight Mountain Ecosystems in the United States

Science.gov (United States)

Hartman, Melannie D.; Baron, Jill S.; Clow, David W.; Creed, Irena F.; Driscoll, Charles T.; Ewing, Holly A.; Haines, Bruce D.; Knoepp, Jennifer; Lajtha, Kate; Ojima, Dennis S.; Parton, William J.; Renfro, Jim; Robinson, R. Bruce; Van Miegroet, Helga; Weathers, Kathleen C.; Williams, Mark W.

2009-01-01

Atmospheric deposition of nitrogen (N) and sulfur (S) cause complex responses in ecosystems, from fertilization to forest ecosystem decline, freshwater eutrophication to acidification, loss of soil base cations, and alterations of disturbance regimes. DayCent-Chem, an ecosystem simulation model that combines ecosystem nutrient cycling and plant dynamics with aqueous geochemical equilibrium calculations, was developed to address ecosystem responses to combined atmospheric N and S deposition. It is unique among geochemically-based models in its dynamic biological cycling of N and its daily timestep for investigating ecosystem and surface water chemical response to episodic events. The model was applied to eight mountainous watersheds in the United States. The sites represent a gradient of N deposition across locales, from relatively pristine to N-saturated, and a variety of ecosystem types and climates. Overall, the model performed best in predicting stream chemistry for snowmelt-dominated sites. It was more difficult to predict daily stream chemistry for watersheds with deep soils, high amounts of atmospheric deposition, and a large degree of spatial heterogeneity. DayCent-Chem did well in representing plant and soil carbon and nitrogen pools and fluxes. Modeled stream nitrate (NO3-) and ammonium (NH4+) concentrations compared well with measurements at all sites, with few exceptions. Simulated daily stream sulfate (SO42-) concentrations compared well to measured values for sites where SO42- deposition has been low and where SO42- adsorption/desorption reactions did not seem to be important. The concentrations of base cations and silica in streams are highly dependent on the geochemistry and weathering rates of minerals in each catchment, yet these were rarely, if ever, known. Thus, DayCent-Chem could not accurately predict weathering products for some catchments. Additionally, few data were available for exchangeable soil cations or the magnitude of base cation

Recalibration of the Mars Science Laboratory ChemCam instrument with an expanded geochemical database

Science.gov (United States)

Clegg, Samuel M.; Wiens, Roger C.; Anderson, Ryan; Forni, Olivier; Frydenvang, Jens; Lasue, Jeremie; Cousin, Agnes; Payre, Valerie; Boucher, Tommy; Dyar, M. Darby; McLennan, Scott M.; Morris, Richard V.; Graff, Trevor G.; Mertzman, Stanley A; Ehlmann, Bethany L.; Belgacem, Ines; Newsom, Horton E.; Clark, Ben C.; Melikechi, Noureddine; Mezzacappa, Alissa; McInroy, Rhonda E.; Martinez, Ronald; Gasda, Patrick J.; Gasnault, Olivier; Maurice, Sylvestre

2017-01-01

The ChemCam Laser-Induced Breakdown Spectroscopy (LIBS) instrument onboard the Mars Science Laboratory (MSL) rover Curiosity has obtained > 300,000 spectra of rock and soil analysis targets since landing at Gale Crater in 2012, and the spectra represent perhaps the largest publicly-available LIBS datasets. The compositions of the major elements, reported as oxides (SiO2, TiO2, Al2O3, FeOT, MgO, CaO, Na2O, K2O), have been re-calibrated using a laboratory LIBS instrument, Mars-like atmospheric conditions, and a much larger set of standards (408) that span a wider compositional range than previously employed. The new calibration uses a combination of partial least squares (PLS1) and Independent Component Analysis (ICA) algorithms, together with a calibration transfer matrix to minimize differences between the conditions under which the standards were analyzed in the laboratory and the conditions on Mars. While the previous model provided good results in the compositional range near the average Mars surface composition, the new model fits the extreme compositions far better. Examples are given for plagioclase feldspars, where silicon was significantly over-estimated by the previous model, and for calcium-sulfate veins, where silicon compositions near zero were inaccurate. The uncertainties of major element abundances are described as a function of the abundances, and are overall significantly lower than the previous model, enabling important new geochemical interpretations of the data.

Searching Online Chemical Data Repositories via the ChemAgora Portal.

Science.gov (United States)

Zanzi, Antonella; Wittwehr, Clemens

2017-12-26

ChemAgora, a web application designed and developed in the context of the "Data Infrastructure for Chemical Safety Assessment" (diXa) project, provides search capabilities to chemical data from resources available online, enabling users to cross-reference their search results with both regulatory chemical information and public chemical databases. ChemAgora, through an on-the-fly search, informs whether a chemical is known or not in each of the external data sources and provides clikable links leading to the third-party web site pages containing the information. The original purpose of the ChemAgora application was to correlate studies stored in the diXa data warehouse with available chemical data. Since the end of the diXa project, ChemAgora has evolved into an independent portal, currently accessible directly through the ChemAgora home page, with improved search capabilities of online data sources.

An investigation of methods for injecting emissions from boreal wildfires using WRF-Chem during ARCTAS

Directory of Open Access Journals (Sweden)

W. R. Sessions

2011-06-01

Full Text Available The Weather Research and Forecasting Model (WRF is considered a "next generation" mesoscale meteorology model. The inclusion of a chemistry module (WRF-Chem allows transport simulations of chemical and aerosol species such as those observed during NASA's Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS in 2008. The ARCTAS summer deployment phase during June and July coincided with large boreal wildfires in Saskatchewan and Eastern Russia.

One of the most important aspects of simulating wildfire plume transport is the height at which emissions are injected. WRF-Chem contains an integrated one-dimensional plume rise model to determine the appropriate injection layer. The plume rise model accounts for thermal buoyancy associated with fires and local atmospheric stability. This paper describes a case study of a 10 day period during the Spring phase of ARCTAS. It compares results from the plume model against those of two more traditional injection methods: Injecting within the planetary boundary layer, and in a layer 3–5 km above ground level. Fire locations are satellite derived from the GOES Wildfire Automated Biomass Burning Algorithm (WF_ABBA and the MODIS thermal hotspot detection. Two methods for preprocessing these fire data are compared: The prep_chem_sources method included with WRF-Chem, and the Naval Research Laboratory's Fire Locating and Monitoring of Burning Emissions (FLAMBE. Results from the simulations are compared with satellite-derived products from the AIRS, MISR and CALIOP sensors.

When FLAMBE provides input to the 1-D plume rise model, the resulting injection heights exhibit the best agreement with satellite-observed injection heights. The FLAMBE-derived heights are more realistic than those utilizing prep_chem_sources. Conversely, when the planetary boundary layer or the 3–5 km a.g.l. layer were filled with emissions, the resulting injection heights exhibit less

The relationship of attitudes toward science, cognitive style, and self-concept to achievement in chemistry at the secondary school level

Science.gov (United States)

Kirk, Gerald Richard

There is currently a crisis in science education in the United States. This statement is based on the National Science Foundation's report stating that the nation's students, on average, still rank near the bottom in science and math achievement internationally. This crisis is the background of the problem for this study. This investigation studied learner variables that were thought to play a role in teaching chemistry at the secondary school level, and related them to achievement in the chemistry classroom. Among these, cognitive style (field dependence/independence), attitudes toward science, and self-concept had been given considerable attention by researchers in recent years. These variables were related to different competencies that could be used to measure the various types of achievement in the chemistry classroom at the secondary school level. These different competencies were called academic, laboratory, and problem solving achievement. Each of these chemistry achievement components may be related to a different set of learner variables, and the main purpose of this study was to investigate the nature of these relationships. Three instruments to determine attitudes toward science, cognitive style, and self-concept were used for data collection. Teacher grades were used to determine chemistry achievement for each student. Research questions were analyzed using Pearson Product Moment Correlation Coefficients and t-tests. Results indicated that field independence was significantly correlated with problem solving, academic, and laboratory achievement. Educational researchers should therefore investigate how to teach students to be more field independent so they can achieve at higher levels in chemistry. It was also true that better attitudes toward the social benefits and problems that accompany scientific progress were significantly correlated with higher achievement on all three academic measures in chemistry. This suggests that educational researchers

Using a Multicultural Approach to Teach Chemistry and the Nature of Science to Undergraduate Non-Majors

Science.gov (United States)

Goff, Peter; Boesdorfer, Sarah B.; Hunter, William

2012-01-01

This research documents the creation, implementation, and evaluation of a novel chemistry curriculum. The curriculum allowed students to create theories situated in a variety of cultures while they investigated chemical phenomena central to all civilizations; it was a way of synthesizing chemistry, the history and nature of science, inquiry, and…

DuraChem trademark - challenges and solutions

International Nuclear Information System (INIS)

Howard, I.S.; Bowan, B.W.; Kirshe, M.H.

1996-01-01

Vitrification of low-level ion exchange resins represents numerous challenges never before successfully accomplished. These challenges include (1) Feed material preparation and transfer, (2) Melter temperature and volume control, (3) Glass composition, stabilization, and control, and (4) Off-gas treatment and particulate capture. The DuraChem trademark team of Chem-Nuclear Systems, Inc. and GTS Duratek, Inc. began its journey in 1994 and is in the process of starting-up the first centralized vitrification facility for commercial ion-exchange and filtration media. This paper addresses each of the challenges and provides an update of this unique volume-reduction and stabilization technology

Gifted Education in the Enabling Sciences with a Particular Emphases on Chemistry

Science.gov (United States)

Chowdhury, Mohammad Anisuzzaman

2017-01-01

The article provides syntheses and critical analyses of literature, creative insights, fruitful information, reflections on gifted education perspectives, and discusses the pertinent issues related to enabling sciences, with a particular focus on chemistry. The misconceptions among the gifted students, and a range of pedagogical approaches to…

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.

ChemSearch Journal: Submissions

African Journals Online (AJOL)

AFRICAN JOURNALS ONLINE (AJOL) · Journals · Advanced Search · USING ... SCOPE: ChemSearch Journal is a peer-reviewed journal that publishes ... Authors whose papers have been accepted for publication will be notified in writing. ... The literature cited must be discussed to show the relationships between the ...

Crisis, change and creativity in science and technology: chemistry in the aftermath of twentieth-century global wars.

Science.gov (United States)

Johnson, Jeffrey Allan

2011-07-01

This paper presents the organising ideas behind the symposium "Chemistry in the Aftermath of World Wars," held at the 23rd International Congress of History of Science and Technology, Budapest, 2009, whose theme was "Ideas and Instruments in Social Context." After first recounting the origins of the notion of "crisis" as a decisive turning point in general history as well as in the history of science, the paper presents war and its aftermath as a form of crisis that may affect science and technology, including chemistry, in a variety of contexts and leading to a variety of types of change. The twentieth-century world wars were exemplary forms of crisis, whose aftermaths shaped the contexts for decisive changes in modern chemistry, which continue to offer challenging opportunities for historical research. In discussing these, the paper cites selected current literature and briefly describes how the individual papers of the symposium, including the three papers published in this volume, approached these challenges.

Spotlight on medicinal chemistry education.

Science.gov (United States)

Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi

2014-05-01

The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.

An Unprecedented Revolution in Medicinal Chemistry Driven by the Progress of Biological Science.

Science.gov (United States)

Chou, Kuo-Chen

2017-01-01

The eternal or ultimate goal of medicinal chemistry is to find most effective ways to treat various diseases and extend human beings' life as long as possible. Human being is a biological entity. To realize such an ultimate goal, the inputs or breakthroughs from the advances in biological science are no doubt most important that may even drive medicinal science into a revolution. In this review article, we are to address this from several different angles. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The AtChem On-line model and Electronic Laboratory Notebook (ELN): A free community modelling tool with provenance capture

Science.gov (United States)

Young, J. C.; Boronska, K.; Martin, C. J.; Rickard, A. R.; Vázquez Moreno, M.; Pilling, M. J.; Haji, M. H.; Dew, P. M.; Lau, L. M.; Jimack, P. K.

2010-12-01

AtChem On-line1 is a simple to use zero-dimensional box modelling toolkit, developed for use by laboratory, field and chamber scientists. Any set of chemical reactions can be simulated, in particular the whole Master Chemical Mechanism (MCM2) or any subset of it. Parameters and initial data can be provided through a self-explanatory web form and the resulting model is compiled and run on a dedicated server. The core part of the toolkit, providing a robust solver for thousands of chemical reactions, is written in Fortran and uses SUNDIALS3 CVODE libraries. Chemical systems can be constrained at multiple, user-determined timescales; this enabled studies of radical chemistry at one minute timescales. AtChem On-line is free to use and requires no installation - a web browser, text editor and any compressing software is all the user needs. CPU and storage are provided by the server (input and output data are saved indefinitely). An off-line version is also being developed, which will provide batch processing, an advanced graphical user interface and post-processing tools, for example, Rate of Production Analysis (ROPA) and chainlength analysis. The source code is freely available for advanced users wishing to adapt and run the program locally. Data management, dissemination and archiving are essential in all areas of science. In order to do this in an efficient and transparent way, there is a critical need to capture high quality metadata/provenance for modelling activities. An Electronic Laboratory Notebook (ELN) has been developed in parallel with AtChem Online as part of the EC EUROCHAMP24 project. In order to use controlled chamber experiments to evaluate the MCM, we need to be able to archive, track and search information on all associated chamber model runs, so that they can be used in subsequent mechanism development. Therefore it would be extremely useful if experiment and model metadata/provenance could be easily and automatically stored electronically

Very high temperature chemistry: Science justification for containerless experimentation in space

Science.gov (United States)

Hofmeister, William H.; Nordine, Paul

1990-01-01

A summary is presented of the justification for application of containerless processing in space to high temperature science. Low earth orbit offers a gravitational environment that allows samples to be positioned in an experimental apparatus by very small forces. Well controlled experiments become possible on reactive materials at high temperatures in a reasonably quiescent state and without container contamination. This provides an opportunity to advance the science of high temperature chemistry that can only be realized with a commitment by NASA to provide advanced facilities for in-space containerless study of materials at very high temperature.

Engineering for Life Sciences: A Fruitful Collaboration Enabled by Chemistry.

Science.gov (United States)

Niemeyer, Christof M

2017-02-13

"… The interaction of engineering and life sciences has a long history that is characterized by a mutual dependency. The role of chemistry in these developments is to connect the engineers' instrumentation with the life scientists' specimens. This very successful partnership will further continue to produce essential and innovative solutions for future challenges …" Read more in the Guest Editorial by Christof M. Niemeyer. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Responding to Students' Learning Preferences in Chemistry

Science.gov (United States)

Lewthwaite, Brian; Wiebe, Rick

2014-04-01

This paper reports on a teacher's and his students' responsiveness to a new tetrahedral-oriented (Mahaffy in J Chem Educ 83(1):49-55, 2006) curriculum requiring more discursive classroom practices in the teaching of chemistry. In this instrumental case study, we identify the intentions of this learner-centered curriculum and a teacher's development in response to this curriculum. We also explore the tensions this teacher experiences as students subsequently respond to his adjusted teaching. We use a Chemistry Teacher Inventory (Lewthwaite and Wiebe in Res Sci Educ 40(11):667-689, 2011; Lewthwaite and Wiebe in Can J Math Sci Technol Educ 12(1):36-61, 2012; Lewthwaite in Chem Educ Res Pract. doi:10.1039/C3RP00122A, 2014) to assist the teacher in monitoring how he teaches and how he would like to improve his teaching. We also use a student form of the instrument, the Chemistry Classroom Inventory and Classroom Observation Protocol (Lewthwaite and Wiebe 2011) to verify the teacher's teaching and perception of student preferences for his teaching especially in terms of the discursive processes the curriculum encourages. By so doing, the teacher is able to use both sets of data as a foundation for critical reflection and work towards resolution of the incongruence in data arising from students' preferred learning orientations and his teaching aspirations. Implications of this study in regards to the authority of students' voice in triggering teachers' pedagogical change and the adjustments in `teachering' and `studenting' required by such curricula are considered.

Chemistry----A Central Science.pdf

OpenAIRE

Roberts, Hannah

2016-01-01

Chemistry is a big part of our everyday life. We can find chemistry in daily life, the foods we eat, the air we breathe, cleaning chemicals, our emotions and literally every object we can see or touch.  

The nature of science and technology for pre-service chemistry teacher: A case of techno-chemistry experiment "From Stannum Metalicum to conductive glass"

Science.gov (United States)

Mudzakir, A.; Widhiyanti, T.; Hernani, Arifin, M.; Lestari, A. N.; Jauhariansyah, S.

2017-08-01

The study was conducted to address the problems related to low Indonesian students' scientific literacy as revealed in the PISA (Program for International Student Assessment) since 2000-2015. Science teachers (e.g. chemistry teacher) must recognize the nature of science (NOS) to assist their students in preparing an explanation of a phenomenon scientifically correctly. Teachers also need to understand critically about nature of technology (NOT) and it relationship with science as well as society. To integrate those two kinds of knowledge (NOS and NOT), we can conduct a techno-science activity, which integrate the technology to science course in pre-service teacher education program, so that they can improve their knowledge about nature of science and technology (NOST) and pedagogical content knowledge related to NOST. The purpose of this study was to construct an inquiry based laboratory activity worksheet for making conductive glass so that the pre-service teacher could explain how the structure of the semiconductor Fluor doped Tin Oxide (SnO2.F) affect their performance. This study we conducted, described how to design a pre-service chemistry teacher education course that can improve recognizing view of NOST by using a framework called model of educational reconstruction (MER). The scientific activities in the course were guided inquiry based techno-chemistry experiments involving "From Stannum Metallicum to Conductive Glass". Conductive glasses are interesting subject research for several reason. The application of this technology could be found on solar cell, OLED, and display panel. The doped Tin dioxide has been deposited on glass substrate using the spray pyrolysis technique at 400-550°C substrate temperature, 4-5 times, 20 cm gap between glass and sprayer and 450 angle to form a thin film which will act as electrical contact. The resistivity is about 0.5 - 15Ω. The product resulted on this study was rated by several expert to find if the worksheet could

Chemistry {ampersand} Materials Science progress report summary of selected research and development topics, FY97

Energy Technology Data Exchange (ETDEWEB)

Newkirk, L.

1997-12-01

This report contains summaries of research performed in the Chemistry and Materials Science division. Topics include Metals and Ceramics, High Explosives, Organic Synthesis, Instrument Development, and other topics.

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…

Application of WRF/Chem over East Asia: Part I. Model evaluation and intercomparison with MM5/CMAQ

Science.gov (United States)

Zhang, Yang; Zhang, Xin; Wang, Litao; Zhang, Qiang; Duan, Fengkui; He, Kebin

2016-01-01

In this work, the application of the online-coupled Weather Research and Forecasting model with chemistry (WRF/Chem) version 3.3.1 is evaluated over East Asia for January, April, July, and October 2005 and compared with results from a previous application of an offline model system, i.e., the Mesoscale Model and Community Multiple Air Quality modeling system (MM5/CMAQ). The evaluation of WRF/Chem is performed using multiple observational datasets from satellites and surface networks in mainland China, Hong Kong, Taiwan, and Japan. WRF/Chem simulates well specific humidity (Q2) and downward longwave and shortwave radiation (GLW and GSW) with normalized mean biases (NMBs) within 24%, but shows moderate to large biases for temperature at 2-m (T2) (NMBs of -9.8% to 75.6%) and precipitation (NMBs of 11.4-92.7%) for some months, and wind speed at 10-m (WS10) (NMBs of 66.5-101%), for all months, indicating some limitations in the YSU planetary boundary layer scheme, the Purdue Lin cloud microphysics, and the Grell-Devenyi ensemble scheme. WRF/Chem can simulate the column abundances of gases reasonably well with NMBs within 30% for most months but moderately to significantly underpredicts the surface concentrations of major species at all sites in nearly all months with NMBs of -72% to -53.8% for CO, -99.4% to -61.7% for NOx, -84.2% to -44.5% for SO2, -63.9% to -25.2% for PM2.5, and -68.9% to 33.3% for PM10, and aerosol optical depth in all months except for October with NMBs of -38.7% to -16.2%. The model significantly overpredicts surface concentrations of O3 at most sites in nearly all months with NMBs of up to 160.3% and NO3- at the Tsinghua site in all months. Possible reasons for large underpredictions include underestimations in the anthropogenic emissions of CO, SO2, and primary aerosol, inappropriate vertical distributions of emissions of SO2 and NO2, uncertainties in upper boundary conditions (e.g., for O3 and CO), missing or inaccurate model representations (e

A UniChem and electron momentum spectroscopy investigations into the valence electronic structure of trans 1,3 butadiene

Energy Technology Data Exchange (ETDEWEB)

Michalewicz, M.T. [CSIRO, Supercomputing Support Group, Carlton, VIC (Australia). Division of Information Technology; Winkler, D.A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Clayton, VIC (Australia). Div. of Chemical Physics; Brunger, M.J.; McCarthy, L.E. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences; Von Niessen, W. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences

1996-09-01

The experimental (e,2e) coincidence spectroscopy, known as electron momentum spectroscopy (EMS) was applied to the trans 1,3 butadiene (C{sub 4}H{sub 6}) molecule with detailed binding energy spectra and orbital momentum distributions (MDs) being measured. A small selection of this data is presented. The usage of UniChem computational chemistry codes for the Flinders-developed AMOLD program allows to calculate theoretical MDs for each orbital, to help elucidate the valence electronic structure of butadiene. The results of the many-body Green`s function calculation is also presented, to the ADC(3) level, for the binding energies and spectroscopic factors of the respective orbitals of C{sub 4}H{sub 6}. A critical comparison between the experimental and theoretical MDs allows to determine the optimum wavefunction from the basis sets studied. The determination of the wavefunction then allows to make further use of the UniChem package to derive butadiene`s chemically interesting molecular properties. A summary of these results and comparison of them with the previous results of other workers is presented. 23 refs., 2 tabs., 2 figs.

A UniChem and electron momentum spectroscopy investigations into the valence electronic structure of trans 1,3 butadiene

International Nuclear Information System (INIS)

Michalewicz, M.T.; Winkler, D.A.; Brunger, M.J.; McCarthy, L.E.; Von Niessen, W.

1996-09-01

The experimental (e,2e) coincidence spectroscopy, known as electron momentum spectroscopy (EMS) was applied to the trans 1,3 butadiene (C 4 H 6 ) molecule with detailed binding energy spectra and orbital momentum distributions (MDs) being measured. A small selection of this data is presented. The usage of UniChem computational chemistry codes for the Flinders-developed AMOLD program allows to calculate theoretical MDs for each orbital, to help elucidate the valence electronic structure of butadiene. The results of the many-body Green's function calculation is also presented, to the ADC(3) level, for the binding energies and spectroscopic factors of the respective orbitals of C 4 H 6 . A critical comparison between the experimental and theoretical MDs allows to determine the optimum wavefunction from the basis sets studied. The determination of the wavefunction then allows to make further use of the UniChem package to derive butadiene's chemically interesting molecular properties. A summary of these results and comparison of them with the previous results of other workers is presented. 23 refs., 2 tabs., 2 figs

Predictors of science success: The impact of motivation and learning strategies on college chemistry performance

Science.gov (United States)

Obrentz, Shari B.

As the number of college students studying science continues to grow, it is important to identify variables that predict their success. The literature indicates that motivation and learning strategy use facilitate science success. Research findings show these variables can change throughout a semester and differ by performance level, gender and ethnicity. However, significant predictors of performance vary by research study and by group. The current study looks beyond the traditional predictors of grade point averages, SAT scores and completion of advanced placement (AP) chemistry to consider a comprehensive set of variables not previously investigated within the same study. Research questions address the predictive ability of motivation constructs and learning strategies for success in introductory college chemistry, how these variables change throughout a semester, and how they differ by performance level, gender and ethnicity. Participants were 413 introductory college chemistry students at a highly selective university in the southeast. Participants completed the Chemistry Motivation Questionnaire (CMQ) and Learning Strategies section of the Motivated Strategies for Learning Questionnaire (MSLQ) three times during the semester. Self-efficacy, effort regulation, assessment anxiety and previous achievement were significant predictors of chemistry course success. Levels of motivation changed with significant decreases in self-efficacy and increases in personal relevance and assessment anxiety. Learning strategy use changed with significant increases in elaboration, critical thinking, metacognitive self-regulation skills and peer learning, and significant decreases in time and study management and effort regulation. High course performers reported the highest levels of motivation and learning strategy use. Females reported lower intrinsic motivation, personal relevance, self-efficacy and critical thinking, and higher assessment anxiety, rehearsal and organization

Analytical chemistry in nuclear science and technology: a scientometric mapping

International Nuclear Information System (INIS)

Kademani, B.S.; Kumar, Anil; Kumar, Vijai

2007-01-01

This paper attempts to analyse quantitatively the growth and development of Analytical Chemistry research in Nuclear Science and Technology in terms of publication output as reflected in International Nuclear Information System (INIS) database (1970-2005). During 1970-2005 a total of 8224 papers were published. There were only seven papers published in 1970. Thereafter, a tremendous explosion of literature was observed in this area. The highest number of papers (636) were published in 1985. The average number of publications published per year was 228.44. United States topped the list with 1811 publications followed by USSR with 1688 publications, Germany with 777 publications, India with 730 publications and Hungary with 519 publications. Authorship and collaboration trend was towards multi-authored papers as 80.3 percent of the papers were collaborative is indicative of the multidisciplinary nature of research activity. The most prolific authors were: B. F. Myasoedov, AN SSSR Moscow Inst. Geokhimii I Analitisheskoi Khimii, Russian Federation with 84 publications, M. Sudersanan, Bhabha Atomic Research Centre, Mumbai, India with 67 publications, P.Vanura and V. Jedinakova Krizova both from Institute of Chemical Technology, Prague, Czech Republic with 54 publications each, S. Gangadharan, Bhabha Atomic Research Centre, Mumbai, India with 47 publications, V.M. Ivanova , M.V. Lomonosov Moscow State University, Russian Federation with 45 publications and Yu. A Zolotov Lomonosov Moscow State University, Russian Federation with 40 publications. The journals most preferred by the scientists for publication of papers were : Zhurnal Analiticheskoj Khimii with 713 papers, Journal of Radioanalytical and Nuclear Chemistry with 409 papers, Analytical Chemistry Washington with 364 papers, Fresenius' Journal of Analytical Chemistry with 324 papers, Indian Journal of Chemistry, Section A with 251 papers, and Journal of Analytical Chemistry of the USSR with 145 papers. The high

The Effect of Using 3E, 5E Learning Cycle in General Chemistry Laboratory to Prospective Scinence Teachers’ Attitude and Perceptions to the Science, Chemistry and Laboratory

OpenAIRE

Toprak, Fatih; Çelikler, Dilek

2013-01-01

The study aimed to investigate the emerging changes in prospective science teachers" attitudes and perceptions towards science, chemistry and laboratory resulting from the implementation of 3E. 5E learning cycles and traditional instruction in laboratory environment in which learning is achieved by doing and experiencing. The study included 74 first grade prospective science teachers from Ondokuz Mayıs University at the Department of Science Education. In the study, quasi-experimental pr...

PubChem Power User Gateway (PUG)

Data.gov (United States)

U.S. Department of Health & Human Services — PUG provides access to PubChem services via a programmatic interface. Users may download data, initiate chemical structure searches, standardize chemical structures...

Student's Need Analysis for the Development of Chemistry Modules Based Guided Inquiry to Improve Science Process Skill

Directory of Open Access Journals (Sweden)

Jane Arantika

2018-04-01

Full Text Available Science process skills (SPS are an important aspect of learning science. SPS help students to develop creativity in learning. Process skills such as observing, formulating questions, interpreting, experimenting, hypothesizing, applying concepts, and communicating. This study aims to analyze the need for development resources needs of science filled with science process skills. Requirement analysis of the development of teaching materials with the skill of the process of science needs to be done because the textbook is the reference a teacher in the class. The subjects matter of chemistry the study was three senior high schools in Sambas, West Borneo. Needs analysis conducted using a qualitative approach, in terms of needs in classroom learning and content of process skills on teaching materials. Data were collected by interviews and questionnaires were analyzed descriptively. The results showed that as many as 27 percents of students perceive the book used in learning has not yet trained the science process skills. As many as 73 percents of students perceive that they need instructional materials in the form of inquiry-based chemistry modules to improve science process skills. Modules are developed based guided inquiry for having guided inquiry learning stages that can practice students' science process skills.

ChemProt-3.0: a global chemical biology diseases mapping

DEFF Research Database (Denmark)

Kringelum, Jens Vindahl; Kjærulff, Sonny Kim; Brunak, Søren

2016-01-01

ChemProt is a publicly available compilation of chemical-protein-disease annotation resources that enables the study of systems pharmacology for a small molecule across multiple layers of complexity from molecular to clinical levels. In this third version, ChemProt has been updated to more than 1...

Korean Kimchi Chemistry: A Multicultural Chemistry Connection

Science.gov (United States)

Murfin, Brian

2009-01-01

Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

Isomer-specific combustion chemistry in allene and propyne flames

Energy Technology Data Exchange (ETDEWEB)

Hansen, Nils; Miller, James A. [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Westmoreland, Phillip R. [Department of Chem. Engineering, University of Massachusetts, Amherst, MA 01003 (United States); Kasper, Tina [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany); Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany); Wang, Juan; Cool, Terrill A. [School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 (United States)

2009-11-15

A combined experimental and modeling study is performed to clarify the isomer-specific combustion chemistry in flames fueled by the C{sub 3}H{sub 4} isomers allene and propyne. To this end, mole fraction profiles of several flame species in stoichiometric allene (propyne)/O{sub 2}/Ar flames are analyzed by means of a chemical kinetic model. The premixed flames are stabilized on a flat-flame burner under a reduced pressure of 25 Torr (=33.3 mbar). Quantitative species profiles are determined by flame-sampling molecular-beam mass spectrometry, and the isomer-specific flame compositions are unraveled by employing photoionization with tunable vacuum-ultraviolet synchrotron radiation. The temperature profiles are measured by OH laser-induced fluorescence. Experimental and modeled mole fraction profiles of selected flame species are discussed with respect to the isomer-specific combustion chemistry in both flames. The emphasis is put on main reaction pathways of fuel consumption, of allene and propyne isomerization, and of isomer-specific formation of C{sub 6} aromatic species. The present model includes the latest theoretical rate coefficients for reactions on a C{sub 3}H{sub 5} potential [J.A. Miller, J.P. Senosiain, S.J. Klippenstein, Y. Georgievskii, J. Phys. Chem. A 112 (2008) 9429-9438] and for the propargyl recombination reactions [Y. Georgievskii, S.J. Klippenstein, J.A. Miller, Phys. Chem. Chem. Phys. 9 (2007) 4259-4268]. Larger peak mole fractions of propargyl, allyl, and benzene are observed in the allene flame than in the propyne flame. In these flames virtually all of the benzene is formed by the propargyl recombination reaction. (author)

Systematic Changes in the Undergraduate Chemistry Curriculum Progam Award and Course and Curriculum Development Program Awards

Science.gov (United States)

1996-06-01

Eight awards in chemistry curriculum development for FY1996 have been announced. One award, to a consortium centered at the University of California-Los Angeles, represents the fifth award in the Systemic Changes in the Undergraduate Chemistry Curriculum program. Although no proposals will be accepted in this program for either planning or full grants for FY1997, it is anticipated that proposals will be accepted in June of 1997 for projects that would adapt and adopt materials developed by the five funded consortia: Molecular Science centered at the University of California-Los Angeles; ChemLinks centered at Beloit College; MolecularChem Consortium centered at the University of California-Berkeley; Workshop Chemistry centered at CUNY City College; and New Traditions centered at the University of Wisconsin-Madison. Seven awards have been made in the Course and Curriculum Development program. This ongoing program continues to accept proposals in chemistry as usual. Systemic Changes in the Undergraduate Chemistry Curriculum Program Award. Molecular Science. Orville L. Chapman University of California-Los Angeles DUE 9555605 FY96 725,000 FY97 575,000, FY98 575,000 FY99 275,000, FY00 275,000 The UCLA-CSUF-Community College Alliance (24 area community colleges that have worked together for more than 15 years) proposes a sweeping restructuring of the lower division chemistry curriculum and the auxiliary learning and assessment processes. In forming our new curriculum, we reject the positivist approach to science education in favor of a constructivist approach that emphasizes problem solving and exploratory learning. We make this change in order to focus on the developing key skills, traits, and abilities of our students. Our new curriculum, the Molecular Science Curriculum, cuts across departments and disciplines to embrace all activities that involve the study of atoms and molecules. In particular, environmental science, materials science, and molecular life science have

Regional Modeling of Dust Mass Balance and Radiative Forcing over East Asia using WRF-Chem

Energy Technology Data Exchange (ETDEWEB)

Chen, Siyu; Zhao, Chun; Qian, Yun; Leung, Lai-Yung R.; Huang, J.; Huang, Zhongwei; Bi, Jianrong; Zhang, Wu; Shi, Jinsen; Yang, Lei; Li, Deshuai; Li, Jinxin

2014-12-01

The Weather Research and Forecasting model with Chemistry (WRF-Chem) is used to investigate the seasonal and annual variations of mineral dust over East Asia during 2007-2011, with a focus on the dust mass balance and radiative forcing. A variety of measurements from in-stu and satellite observations have been used to evaluate simulation results. Generally, WRF-Chem reproduces not only the column variability but also the vertical profile and size distribution of mineral dust over and near the dust source regions of East Asia. We investigate the dust lifecycle and the factors that control the seasonal and spatial variations of dust mass balance and radiative forcing over the seven sub-regions of East Asia, i.e. source regions, the Tibetan Plateau, Northern China, Southern China, the ocean outflow region, and Korea-Japan regions. Results show that, over the source regions, transport and dry deposition are the two dominant sinks. Transport contributes to ~30% of the dust sink over the source regions. Dust results in a surface cooling of up to -14 and -10 W m-2, atmospheric warming of up to 20 and 15 W m-2, and TOA cooling of -5 and -8 W m-2 over the two major dust source regions of East Asia, respectively. Over the Tibetan Plateau, transport is the dominant source with a peak in summer. Over identified outflow regions, maximum dust mass loading in spring is contributed by the transport. Dry and wet depositions are the comparably dominant sinks, but wet deposition is larger than dry deposition over the Korea-Japan region, particularly in spring (70% versus 30%). The WRF-Chem simulations can generally capture the measured features of dust aerosols and its radaitve properties and dust mass balance over East Asia, which provides confidence for use in further investigation of dust impact on climate over East Asia.

The IUPAC International Congresses of Pesticide Chemistry (1963-2014) and Pest Management Science: a half-century of progress.

Science.gov (United States)

Brooks, Gerald T

2014-08-01

As we approach the 2014 San Francisco IUPAC Pesticide Chemistry Congress, we reflect on the 51 years of such congresses every 4 years since 1963. Meanwhile, our journal, Pesticide Science/Pest Management Science, has in parallel continually published relevant science for nearly as long (44 years from 1970). © 2014 Society of Chemical Industry.

Mars Science Laboratory Using Laser Instrument, Artist's Concept

Science.gov (United States)

2007-01-01

This artist's conception of NASA's Mars Science Laboratory portrays use of the rover's ChemCam instrument to identify the chemical composition of a rock sample on the surface of Mars. ChemCam is innovative for planetary exploration in using a technique referred to as laser breakdown spectroscopy to determine the chemical composition of samples from distances of up to about 8 meters (25 feet) away. ChemCam is led by a team at the Los Alamos National Laboratory and the Centre d'Etude Spatiale des Rayonnements in Toulouse, France. Mars Science Laboratory, a mobile robot for investigating Mars' past or present ability to sustain microbial life, is in development at NASA's Jet Propulsion Laboratory for a launch opportunity in 2009. The mission is managed by JPL, a division of the California Institute of Technology, Pasadena, Calif., for the NASA Science Mission Directorate, Washington.

Why Teach Environmental Chemistry?

Science.gov (United States)

Gardner, Marjorie H.

1974-01-01

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

Chemistry as the defining science: discipline and training in nineteenth-century chemical laboratories.

Science.gov (United States)

Jackson, Catherine M

2011-06-01

The institutional revolution has become a major landmark of late-nineteenth century science, marking the rapid construction of large, institutional laboratories which transformed scientific training and practice. Although it has served historians of physics well, the institutional revolution has proved much more contentious in the case of chemistry. I use published sources, mainly written by chemists and largely focused on laboratories built in German-speaking lands between about 1865 and 1900, to show that chemical laboratory design was inextricably linked to productive practice, large-scale pedagogy and disciplinary management. I argue that effective management of the novel risks inherent in teaching and doing organic synthesis was significant in driving and shaping the construction of late-nineteenth century institutional chemical laboratories, and that these laboratories were essential to the disciplinary development of chemistry. Seen in this way, the laboratory necessarily becomes part of the material culture of late-nineteenth century chemistry, and I show how this view leads not only to a revision of what is usually known as the laboratory revolution in chemistry but also to a new interpretation of the institutional revolution in physics. Copyright © 2011 Elsevier Ltd. All rights reserved.

Progress report on nuclear science and technology in China (Vol.3). Proceedings of academic annual meeting of China Nuclear Society in 2013, No.4--Nuclear chemistry and radiation chemistry sub-volume

International Nuclear Information System (INIS)

2014-05-01

Progress report on nuclear science and technology in China (Vol. 3) includes 24 articles which are communicated on the third national academic annual meeting of China Nuclear Society. There are 10 books totally. This is the fourth one, the content is about Nuclear chemistry and radiation chemistry sub-volume

Early Warning: Brought to you by the DoD Chem-Bio Defense Program

Science.gov (United States)

Security Robots Lasers RSS Feed Early Warning: Brought to you by the DoD Chem-Bio Defense Program help warfighters prevent, protect against, respond to or recover from chem-bio threats and effects . Hassell said he and his team don't monitor the world for chem-bio threats, they develop the tools that

European analytical column No. 36 from the Division of Analytical Chemistry (DAC) of the European Association for Chemical and Molecular Sciences (EuCheMS)

DEFF Research Database (Denmark)

Karlberg, Bo; Emons, Hendrik; Andersen, Jens Enevold Thaulov

2008-01-01

European analytical column no. 36 from the division of analytical chemistry (DAC) of the European association for chemical and molecular sciences (EuCheMS)......European analytical column no. 36 from the division of analytical chemistry (DAC) of the European association for chemical and molecular sciences (EuCheMS)...

Development and Nature of Preservice Chemistry Teachers' Pedagogical Content Knowledge for Nature of Science

Science.gov (United States)

Demirdögen, Betül; Hanuscin, Deborah L.; Uzuntiryaki-Kondakci, Esen; Köseoglu, Fitnat

2016-01-01

The purpose of this case study is to delve into the complexities of the early development of preservice chemistry teachers' science teaching orientations, knowledge of learners, knowledge of instructional strategies, and knowledge of assessment during a two-semester intervention designed to enhance their pedagogical content knowledge (PCK) for…

Quantifying the influence of boreal biomass burning emissions on tropospheric oxidant chemistry over the North Atlantic using BORTAS measurements

Science.gov (United States)

Parrington, Mark; Palmer, Paul I.; Rickard, Andrew; Young, Jennifer; Lewis, Ally; Lee, James; Henze, Daven; Tarasick, David; Hyer, Edward; Yantosca, Robert; Bowman, Kevin; Worden, John; Griffin, Debora; Franklin, Jonathan; Helmig, Detlev

2013-04-01

We use the GEOS-Chem chemistry transport model to quantify the impact of boreal biomass burning on tropospheric oxidant chemistry over the North Atlantic region during summer of 2011. The GEOS-Chem model is used at a spatial resolution of 1/2 degree latitude by 2/3 degree longitude for a domain covering eastern North America, the North Atlantic Ocean and western Europe. We initialise the model with biomass burning emissions from the Fire Locating and Monitoring of Burning Emissions (FLAMBE) inventory and use a modified chemical mechanism providing a detailed description of ozone photochemistry in boreal biomass burning outflow derived from the Master Chemical Mechanism (MCM). We evaluate the 3-D model distribution of ozone and tracers associated with biomass burning against measurements made by the UK FAAM BAe-146 research aircraft, ozonesondes, ground-based and satellite instruments as part of the BORTAS experiment between 12 July and 3 August 2011. We also use the GEOS-Chem model adjoint to fit the model to BORTAS measurements to analyse the sensitivity of the model chemical mechanism and ozone distribution to wildfire emissions in central Canada.

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

NARCIS (Netherlands)

McGuire, R.; Verhoeven, S.; Vass, M.; Vriend, G.; Esch, I.J. de; Lusher, S.J.; Leurs, R.; Ridder, L.; Kooistra, A.J.; Ritschel, T.; Graaf, C. de

2017-01-01

3D-e-Chem-VM is an open source, freely available Virtual Machine ( http://3d-e-chem.github.io/3D-e-Chem-VM/ ) that integrates cheminformatics and bioinformatics tools for the analysis of protein-ligand interaction data. 3D-e-Chem-VM consists of software libraries, and database and workflow tools

3D-e-Chem-VM : Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

NARCIS (Netherlands)

McGuire, Ross; Verhoeven, Stefan; Vass, Márton; Vriend, Gerrit; De Esch, Iwan J P; Lusher, Scott J.; Leurs, Rob; Ridder, Lars; Kooistra, Albert J.; Ritschel, Tina; de Graaf, C.

2017-01-01

3D-e-Chem-VM is an open source, freely available Virtual Machine ( http://3d-e-chem.github.io/3D-e-Chem-VM/ ) that integrates cheminformatics and bioinformatics tools for the analysis of protein-ligand interaction data. 3D-e-Chem-VM consists of software libraries, and database and workflow tools

Interface of Chemistry and Biology

OpenAIRE

I. Kira Astakhova

2013-01-01

Many exciting research studies in Science today lie at the interface between various disciplines. The interface between Chemistry and Biology is particularly rich, since it closely reflects Nature and the origins of Life. Multiple research groups in the Chemistry Departments around the world have made substantial efforts to interweave ideas from Chemistry and Biology to solve important questions related to material science and healthcare, just to name a few. International Journal of Bioorgani...

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

Modeling of low-temperature plasmas generated using laser-induced breakdown spectroscopy: the ChemCam diagnostic tool on the Mars Science Laboratory Rover

Science.gov (United States)

Colgan, James

2016-05-01

We report on efforts to model the low-temperature plasmas generated using laser-induced breakdown spectroscopy (LIBS). LIBS is a minimally invasive technique that can quickly and efficiently determine the elemental composition of a target and is employed in an extremely wide range of applications due to its ease of use and fast turnaround. In particular, LIBS is the diagnostic tool used by the ChemCam instrument on the Mars Science Laboratory rover Curiosity. In this talk, we report on the use of the Los Alamos plasma modeling code ATOMIC to simulate LIBS plasmas, which are typically at temperatures of order 1 eV and electron densities of order 10 16 - 17 cm-3. At such conditions, these plasmas are usually in local-thermodynamic equilibrium (LTE) and normally contain neutral and singly ionized species only, which then requires that modeling must use accurate atomic structure data for the element under investigation. Since LIBS devices are often employed in a very wide range of applications, it is therefore desirable to have accurate data for most of the elements in the periodic table, ideally including actinides. Here, we discuss some recent applications of our modeling using ATOMIC that have explored the plasma physics aspects of LIBS generated plasmas, and in particular discuss the modeling of a plasma formed from a basalt sample used as a ChemCam standard1. We also highlight some of the more general atomic physics challenges that are encountered when attempting to model low-temperature plasmas. The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC5206NA25396. Work performed in conjunction with D. P. Kilcrease, H. M. Johns, E. J. Judge, J. E. Barefield, R. C. Wiens, S. M. Clegg.

Evaluation of the molecular level visualisation approach for teaching and learning chemistry in Thailand

Science.gov (United States)

Phenglengdi, Butsari

This research evaluates the use of a molecular level visualisation approach in Thai secondary schools. The goal is to obtain insights about the usefulness of this approach, and to examine possible improvements in how the approach might be applied in the future. The methodology used for this research used both qualitative and quantitative approaches. Data were collected in the form of pre- and post-intervention multiple choice questions, open-ended-questions, drawing exercises, one-to-one interviews and video recordings of class activity. The research was conducted in two phases, involving a total of 261 students from the 11th Grade in Thailand. The use of VisChem animations in three studies was evaluated in Phase I. Study 1 was a pilot study exploring the benefits of incorporating VisChem animations to portray the molecular level. Study 2 compared test results between students exposed to these animations of molecular level events, and those not. Finally, in Study 3, test results were gathered from different types of schools (a rural school, a city school, and a university school). The results showed that students (and teachers) had misconceptions at the molecular level, and VisChem animations could help students understand chemistry concepts at the molecular level across all three types of schools. While the animation treatment group had a better score on the topic of states of water, the non-animation treatment group had a better score on the topic of dissolving sodium chloride in water than the animation group. The molecular level visualisation approach as a learning design was evaluated in Phase II. This approach involved a combination of VisChem animations, pictures, and diagrams together with the seven-step VisChem learning design. The study involved three classes of students, each with a different treatment, described as Class A - Traditional approach; Class B - VisChem animations with traditional approach; and Class C - Molecular level visualisation approach

Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

Science.gov (United States)

McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.; Bender, Steve; Lemmon, Mark; Wiens, Roger C.; Maurice, Sylvestre; Gasnault, Olivier; Lasue, Jeremie; Meslin, Pierre-Yves; Harri, Ari-Matti; Genzer, Maria; Kemppinen, Osku; Martínez, Germán M.; DeFlores, Lauren; Blaney, Diana; Johnson, Jeffrey R.; Bell, James F.

2018-06-01

We derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 Ls = 291° (March 30, 2013) to Mars Year 33 Ls= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model, using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO2 absorptions and the known CO2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large scale circulations and thus

How Important are the Laws of Definite and Multiple Proportions in Chemistry and Teaching Chemistry? A History and Philosophy of Science Perspective

Science.gov (United States)

Niaz, Mansoor

The main objectives of this study are:(1) to elaborate a framework based on a rational reconstruction of developments that led to the formulation of the laws of definite and multiple proportions; (2) to ascertain students' views of the two laws; (3) to formulate criteria based on the framework for evaluating chemistry textbooks' treatment of the two laws; and (4) to provide a rationale for chemistry teachers to respond to the question: Can we teach chemistry without the laws of definite and multiple proportions? Results obtained show that most of the textbooks present the laws of definite and multiple proportions within an inductivist perspective, characterized by the following sequence: experimental findings showed that chemical elements combined in fixed/multiple proportions, followed by the formulation of the laws of definite and multiple proportions, and finally Dalton's atomic theory was postulated to explain the laws. Students were found to be reluctant to question the laws that they learnt as the building blocks of chemistry. It is concluded that by emphasizing the laws of definite and multiple proportions, textbooks inevitably endorse the dichotomy between theories and laws, which is questioned by philosophers of science (Lakatos 1970; Giere 1995a, b). An alternative approach is presented which shows that we can teach chemistry without the laws of definite and multiple proportions.

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.

ChemCam passive reflectance spectroscopy of surface materials at the Curiosity landing site, Mars

Science.gov (United States)

Johnson, Jeffrey R.; Bell, J. F.; Bender, S.; Blaney, D.; Cloutis, E.; DeFlores, L.; Ehlmann, B.; Gasnault, O.; Gondet, B.; Kinch, K.; Lemmon, M.; Le Mouélic, S.; Maurice, S.; Rice, M.; Wiens, R. C.

2015-03-01

The spectrometers on the Mars Science Laboratory (MSL) ChemCam instrument were used in passive mode to record visible/near-infrared (400-840 nm) radiance from the martian surface. Using the onboard ChemCam calibration targets' housing as a reflectance standard, we developed methods to collect, calibrate, and reduce radiance observations to relative reflectance. Such measurements accurately reproduce the known reflectance spectra of other calibration targets on the rover, and represent the highest spatial resolution (0.65 mrad) and spectral sampling (rocks and soils match those from orbital observations and multispectral data from the MSL Mastcam camera. Preliminary analyses of the band depths, spectral slopes, and reflectance ratios of the more than 2000 spectra taken during the first year of MSL operations demonstrate at least six spectral classes of materials distinguished by variations in ferrous and ferric components. Initial comparisons of ChemCam spectra to laboratory spectra of minerals and Mars analog materials demonstrate similarities with palagonitic soils and indications of orthopyroxene in some dark rocks. Magnesium-rich "raised ridges" tend to exhibit distinct near-infrared slopes. The ferric absorption downturn typically found for martian materials at rocks and drill tailings, consistent with their more ferrous nature. Calcium-sulfate veins exhibit the highest relative reflectances observed, but are still relatively red owing to the effects of residual dust. Such dust is overall less prominent on rocks sampled within the "blast zone" immediately surrounding the landing site. These samples were likely affected by the landing thrusters, which partially removed the ubiquitous dust coatings. Increased dust coatings on the calibration targets during the first year of the mission were documented by the ChemCam passive measurements as well. Ongoing efforts to model and correct for this dust component should improve calibration of the relative reflectance

Development and Use of Online Prelaboratory Activities in Organic Chemistry to Improve Students' Laboratory Experience

Science.gov (United States)

Chaytor, Jennifer L.; Al Mughalaq, Mohammad; Butler, Hailee

2017-01-01

Online prelaboratory videos and quizzes were prepared for all experiments in CHEM 231, Organic Chemistry I Laboratory. It was anticipated that watching the videos would help students be better prepared for the laboratory, decrease their anxiety surrounding the laboratory, and increase their understanding of the theories and concepts presented.…

Representation of Science Process Skills in the Chemistry Curricula for Grades 10, 11 and 12 / Turkey

OpenAIRE

Abdullah Aydin

2013-01-01

In one study conducted in Turkey, Berberoğlu et al. (2002) stressed that methods of designing and implementing especially laboratory experiments should inevitably be focused on developing one’s higher-level mental skills. (Berberoğlu et al., 2002). It was suggested in a study by Koray et al. (2006) entitled as “Conditions of Representing Science Process Skills in 9th grade Chemistry Course Books and Chemistry Curriculums” that scientific process abilities should be given more place in Chemist...

The Development of Dalton's Atomic Theory as a Case Study in the History of Science: Reflections for Educators in Chemistry

Science.gov (United States)

Viana, Helio Elael Bonini; Porto, Paulo Alves

2010-01-01

The inclusion of the history of science in science curricula--and specially, in the curricula of science teachers--is a trend that has been followed in several countries. The reasons advanced for the study of the history of science are manifold. This paper presents a case study in the history of chemistry, on the early developments of John…

Effects of Self-Regulatory Strategy on Prospective Science Teachers' Chemistry Self Efficacy According to Class Level and Gender

Science.gov (United States)

Seyhan, Hatice Güngör

2016-01-01

This study aimed at determining the self-regulatory strategies and the chemistry self-efficacies of a total of one hundred and eighty-nine prospective science teachers in a state university in Turkey while studying the chemistry lesson according to the class level and gender factors. An additional goal was to examine the relationship level between…

The Effects of Online Homework on First Year Pre-Service Science Teachers' Learning Achievements of Introductory Organic Chemistry

Science.gov (United States)

Ratniyom, Jadsada; Boonphadung, Suttipong; Unnanantn, Thassanant

2016-01-01

This study examined the effects of the introductory organic chemistry online homework on first year pre-service science teachers' learning achievements. The online homework was created using a web-based Google form in order to enhance the pre-service science teachers' learning achievements. The steps for constructing online homework were…

Calibration of the MSL/ChemCam/LIBS Remote Sensing Composition Instrument

Science.gov (United States)

Wiens, R. C.; Maurice S.; Bender, S.; Barraclough, B. L.; Cousin, A.; Forni, O.; Ollila, A.; Newsom, H.; Vaniman, D.; Clegg, S.;

Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.

Science.gov (United States)

Karthikeyan, M; Krishnan, S; Pandey, Anil Kumar; Bender, Andreas; Tropsha, Alexander

2008-04-01

We present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its "plug-in architecture". The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.ncl.res.in/chemstar/.

Why Do Secondary School Chemistry Teachers Engage in Long-Term Outreach Partnership with a University?

Science.gov (United States)

Glover, S. R.; Harrison, T. G.; Shallcross, D. E.

2016-01-01

While the effects of outreach with secondary school pupils has been researched the reasons teachers engage or the impacts on the teachers engaging in long-term relationships with a university department have not. Detailed interviews with chemistry teachers associated with outreach at Bristol ChemLabS have revealed many reasons for prolonged…

Chemistry and the iron - only hydrogenase

International Nuclear Information System (INIS)

Tard, C.; Razavet, M.; Liu, X.; Ibrahim, S.; Pickett, Ch.

2005-01-01

Complete text of publication follows: Chemistry related to the hydrogenases is developing very rapidly and providing some informative insights into how the biological systems might function. Although still very much at a blue skies stage, there is some prospect for the design of artificial assemblies, materials and devices with technological application for hydrogen production/uptake provided robust system can be designed with low over potentials for hydrogen/proton interconversion (1). The iron-only hydrogenase possesses a peculiar di-iron unit coordinated by CO and CN, ligands which are normally associated with poisoning biological function. This sub-site unit is attached to a [4Fe4S] cubane center to form the catalytic site of the hydrogenase which is known as the 'H-cluster'. The synthesis of artificial sub-sites will first be described together with how their structures, spectroscopy and reactivity provides some key insights into the natural system viz. unprecedented bridging carbonyl and Fe(I) motifs in biology (2-4). How we have approached putting together the entire iron-sulfur framework of the H-cluster will then be described together with its electron-transfer and electrocatalytic properties (4). Finally, I will describe some early work on how we are beginning to incorporate structural motifs of the active-site into conducting polymer matrices, how they function as (albeit poor) electrocatalysts for hydrogen evolution, and where we see the way ahead. (1)The Chemistry and the Hydrogenases. D.J. Evans and C.J. Pickett, Chem. Soc. Rev., 32, 268-275, 2003; (2)Electron-Transfer at a Di-thiolate-Bridged Di-Iron Assembly; Electrocatalytic Hydrogen Evolution. S.J. Borg, T. Behrsing and S.P. Best, M. Ravazet, X. Liu and C.J. Pickett, J Amer. Chem. Soc., 2004, 126, 509-533; (3) Dissecting the intimate mechanism of cyanation of [Fe2S3] complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and

The future of discovery chemistry: quo vadis? Academic to industrial--the maturation of medicinal chemistry to chemical biology.

Science.gov (United States)

Hoffmann, Torsten; Bishop, Cheryl

2010-04-01

At Roche, we set out to think about the future role of medicinal chemistry in drug discovery in a project involving both Roche internal stakeholders and external experts in drug discovery chemistry. To derive a coherent strategy, selected scientists were asked to take extreme positions and to derive two orthogonal strategic options: chemistry as the traditional mainstream science and chemistry as the central entrepreneurial science. We believe today's role of medicinal chemistry in industry has remained too narrow. To provide the innovation that industry requires, medicinal chemistry must play its part and diversify at pace with our increasing understanding of chemical biology and network pharmacology. 2010 Elsevier Ltd. All rights reserved.

ChemSearch Journal: Editorial Policies

African Journals Online (AJOL)

A. A. Audu (Analytical Chemistry) Department of Pure and Industrial Chemistry, Bayero University, P.M.B. 3011, Kano, Nigeria. Prof. S. M. Gumel (Colour & Polymer Chemistry) Department of Pure and Industrial Chemistry, Bayero University, P.M.B. 3011, Kano, Nigeria. Prof. S. Y. Mudi (Organic Chemistry) Department of ...

Chemistry and Nanoscience Research | NREL

Science.gov (United States)

Chemistry and Nanoscience Center at NREL investigates materials and processes for converting renewable and new technologies. NREL's primary research in the chemistry and nanoscience center includes the Electrochemical Engineering and Materials Chemistry Providing a knowledge base in materials science covering

Consequences of ChemR23 heteromerization with the chemokine receptors CXCR4 and CCR7.

Science.gov (United States)

de Poorter, Cédric; Baertsoen, Kevin; Lannoy, Vincent; Parmentier, Marc; Springael, Jean-Yves

2013-01-01

Recent studies have shown that heteromerization of the chemokine receptors CCR2, CCR5 and CXCR4 is associated to negative binding cooperativity. In the present study, we build on these previous results, and investigate the consequences of chemokine receptor heteromerization with ChemR23, the receptor of chemerin, a leukocyte chemoattractant protein structurally unrelated to chemokines. We show, using BRET and HTRF assays, that ChemR23 forms homomers, and provide data suggesting that ChemR23 also forms heteromers with the chemokine receptors CCR7 and CXCR4. As previously described for other chemokine receptor heteromers, negative binding cooperativity was detected between ChemR23 and chemokine receptors, i.e. the ligands of one receptor competed for the binding of a specific tracer of the other. We also showed, using mouse bone marrow-derived dendritic cells prepared from wild-type and ChemR23 knockout mice, that ChemR23-specific ligands cross-inhibited CXCL12 binding on CXCR4 in a ChemR23-dependent manner, supporting the relevance of the ChemR23/CXCR4 interaction in native leukocytes. Finally, and in contrast to the situation encountered for other previously characterized CXCR4 heteromers, we showed that the CXCR4-specific antagonist AMD3100 did not cross-inhibit chemerin binding in cells co-expressing ChemR23 and CXCR4, demonstrating that cross-regulation by AMD3100 depends on the nature of receptor partners with which CXCR4 is co-expressed.

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.

WRF and WRF-Chem v3.5.1 simulations of meteorology and black carbon concentrations in the Kathmandu Valley

Directory of Open Access Journals (Sweden)

A. Mues

2018-06-01

Full Text Available An evaluation of the meteorology simulated using the Weather Research and Forecast (WRF model for the region of south Asia and Nepal with a focus on the Kathmandu Valley is presented. A particular focus of the model evaluation is placed on meteorological parameters that are highly relevant to air quality such as wind speed and direction, boundary layer height and precipitation. The same model setup is then used for simulations with WRF including chemistry and aerosols (WRF-Chem. A WRF-Chem simulation has been performed using the state-of-the-art emission database, EDGAR HTAP v2.2, which is the Emission Database for Global Atmospheric Research of the Joint Research Centre (JRC of the European Commission, in cooperation with the Task Force on Hemispheric Transport of Air Pollution (TF HTAP organized by the United Nations Economic Commission for Europe, along with a sensitivity simulation using observation-based black carbon emission fluxes for the Kathmandu Valley. The WRF-Chem simulations are analyzed in comparison to black carbon measurements in the valley and to each other.The evaluation of the WRF simulation with a horizontal resolution of 3×3 km2 shows that the model is often able to capture important meteorological parameters inside the Kathmandu Valley and the results for most meteorological parameters are well within the range of biases found in other WRF studies especially in mountain areas. But the evaluation results also clearly highlight the difficulties of capturing meteorological parameters in such complex terrain and reproducing subgrid-scale processes with a horizontal resolution of 3×3 km2. The measured black carbon concentrations are typically systematically and strongly underestimated by WRF-Chem. A sensitivity study with improved emissions in the Kathmandu Valley shows significantly reduced biases but also underlines several limitations of such corrections. Further improvements of the model and of the emission data are

ChemTS: an efficient python library for de novo molecular generation

Science.gov (United States)

Yang, Xiufeng; Zhang, Jinzhe; Yoshizoe, Kazuki; Terayama, Kei; Tsuda, Koji

2017-12-01

Automatic design of organic materials requires black-box optimization in a vast chemical space. In conventional molecular design algorithms, a molecule is built as a combination of predetermined fragments. Recently, deep neural network models such as variational autoencoders and recurrent neural networks (RNNs) are shown to be effective in de novo design of molecules without any predetermined fragments. This paper presents a novel Python library ChemTS that explores the chemical space by combining Monte Carlo tree search and an RNN. In a benchmarking problem of optimizing the octanol-water partition coefficient and synthesizability, our algorithm showed superior efficiency in finding high-scoring molecules. ChemTS is available at https://github.com/tsudalab/ChemTS.

Constraints on Eurasian ship NOx emissions using OMI NO2 observations and GEOS-Chem

Science.gov (United States)

Vinken, Geert C. M.; Boersma, Folkert; van Donkelaar, Aaron; Zhang, Lin

2013-04-01

Ships emit large quantities of nitrogen oxides (NOx = NO + NO2), important precursors for ozone (O3) and particulate matter formation. Ships burn low-grade marine heavy fuel due to the limited regulations that exist for the maritime sector in international waters. Previous studies showed that global ship NOx emission inventories amount to 3.0-10.4 Tg N per year (15-30% of total NOx emissions), with most emissions close to land and affecting air quality in densely populated coastal regions. Bottom-up inventories depend on the extrapolation of a relatively small number of measurements that are often unable to capture annual emission changes and can suffer from large uncertainties. Satellites provide long-term, high-resolution retrievals that can be used to improve emission estimates. In this study we provide top-down constraints on ship NOx emissions in major European ship routes, using observed NO2 columns from the Ozone Monitoring Instrument (OMI) and NO2 columns simulated with the nested (0.5°×0.67°) version of the GEOS-Chem chemistry transport model. We use a plume-in-grid treatment of ship NOx emissions to account for in-plume chemistry in our model. We ensure consistency between the retrievals and model simulations by using the high-resolution GEOS-Chem NO2 profiles as a priori. We find evidence that ship emissions in the Mediterranean Sea are geographically misplaced by up to 150 km and biased high by a factor of 4 as compared to the most recent (EMEP) ship emission inventory. Better agreement is found over the shipping lane between Spain and the English Channel. We extend our approach and also provide constraints for major ship routes in the Red Sea and Indian Ocean. Using the full benefit of the long-term retrieval record of OMI, we present a new Eurasian ship emission inventory for the years 2005 to 2010, based on the EMEP and AMVER-ICOADS inventories, and top-down constraints from the satellite retrievals. Our work shows that satellite retrievals can

Consequences of ChemR23 heteromerization with the chemokine receptors CXCR4 and CCR7.

Directory of Open Access Journals (Sweden)

Cédric de Poorter

Full Text Available Recent studies have shown that heteromerization of the chemokine receptors CCR2, CCR5 and CXCR4 is associated to negative binding cooperativity. In the present study, we build on these previous results, and investigate the consequences of chemokine receptor heteromerization with ChemR23, the receptor of chemerin, a leukocyte chemoattractant protein structurally unrelated to chemokines. We show, using BRET and HTRF assays, that ChemR23 forms homomers, and provide data suggesting that ChemR23 also forms heteromers with the chemokine receptors CCR7 and CXCR4. As previously described for other chemokine receptor heteromers, negative binding cooperativity was detected between ChemR23 and chemokine receptors, i.e. the ligands of one receptor competed for the binding of a specific tracer of the other. We also showed, using mouse bone marrow-derived dendritic cells prepared from wild-type and ChemR23 knockout mice, that ChemR23-specific ligands cross-inhibited CXCL12 binding on CXCR4 in a ChemR23-dependent manner, supporting the relevance of the ChemR23/CXCR4 interaction in native leukocytes. Finally, and in contrast to the situation encountered for other previously characterized CXCR4 heteromers, we showed that the CXCR4-specific antagonist AMD3100 did not cross-inhibit chemerin binding in cells co-expressing ChemR23 and CXCR4, demonstrating that cross-regulation by AMD3100 depends on the nature of receptor partners with which CXCR4 is co-expressed.

Results of an interactively coupled atmospheric chemistry – general circulation model: Comparison with observations

Directory of Open Access Journals (Sweden)

R. Hein

Full Text Available The coupled climate-chemistry model ECHAM4.L39(DLR/CHEM is presented which enables a simultaneous treatment of meteorology and atmospheric chemistry and their feedbacks. This is the first model which interactively combines a general circulation model with a chemical model, employing most of the important reactions and species necessary to describe the stratospheric and upper tropospheric ozone chemistry, and which is computationally fast enough to allow long-term integrations with currently available computer resources. This is possible as the model time-step used for the chemistry can be chosen as large as the integration time-step for the dynamics. Vertically the atmosphere is discretized by 39 levels from the surface up to the top layer which is centred at 10 hPa, with a relatively high vertical resolution of approximately 700 m near the extra-tropical tropopause. We present the results of a control simulation representing recent conditions (1990 and compare it to available observations. The focus is on investigations of stratospheric dynamics and chemistry relevant to describe the stratospheric ozone layer. ECHAM4.L39(DLR/CHEM reproduces main features of stratospheric dynamics in the arctic vortex region, including stratospheric warming events. This constitutes a major improvement compared to earlier model versions. However, apparent shortcomings in Antarctic circulation and temperatures persist. The seasonal and interannual variability of the ozone layer is simulated in accordance with observations. Activation and deactivation of chlorine in the polar stratospheric vortices and their inter-hemispheric differences are reproduced. Considering methane oxidation as part of the dynamic-chemistry feedback results in an improved representation of the spatial distribution of stratospheric water vapour concentrations. The current model constitutes a powerful tool to investigate, for instance, the combined direct and indirect effects of anthropogenic

Validity of Scientific Based Chemistry Android Module to Empower Science Process Skills (SPS) in Solubility Equilibrium

Science.gov (United States)

Antrakusuma, B.; Masykuri, M.; Ulfa, M.

2018-04-01

Evolution of Android technology can be applied to chemistry learning, one of the complex chemistry concept was solubility equilibrium. this concept required the science process skills (SPS). This study aims to: 1) Characteristic scientific based chemistry Android module to empowering SPS, and 2) Validity of the module based on content validity and feasibility test. This research uses a Research and Development approach (RnD). Research subjects were 135 s1tudents and three teachers at three high schools in Boyolali, Central of Java. Content validity of the module was tested by seven experts using Aiken’s V technique, and the module feasibility was tested to students and teachers in each school. Characteristics of chemistry module can be accessed using the Android device. The result of validation of the module contents got V = 0.89 (Valid), and the results of the feasibility test Obtained 81.63% (by the student) and 73.98% (by the teacher) indicates this module got good criteria.

Chemistry and Biology

Science.gov (United States)

Wigston, David L.

1970-01-01

Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

Global impacts of tropospheric halogens (Cl, Br, I on oxidants and composition in GEOS-Chem

Directory of Open Access Journals (Sweden)

T. Sherwen

2016-09-01

Full Text Available We present a simulation of the global present-day composition of the troposphere which includes the chemistry of halogens (Cl, Br, I. Building on previous work within the GEOS-Chem model we include emissions of inorganic iodine from the oceans, anthropogenic and biogenic sources of halogenated gases, gas phase chemistry, and a parameterised approach to heterogeneous halogen chemistry. Consistent with Schmidt et al. (2016 we do not include sea-salt debromination. Observations of halogen radicals (BrO, IO are sparse but the model has some skill in reproducing these. Modelled IO shows both high and low biases when compared to different datasets, but BrO concentrations appear to be modelled low. Comparisons to the very sparse observations dataset of reactive Cl species suggest the model represents a lower limit of the impacts of these species, likely due to underestimates in emissions and therefore burdens. Inclusion of Cl, Br, and I results in a general improvement in simulation of ozone (O3 concentrations, except in polar regions where the model now underestimates O3 concentrations. Halogen chemistry reduces the global tropospheric O3 burden by 18.6 %, with the O3 lifetime reducing from 26 to 22 days. Global mean OH concentrations of 1.28  ×  106 molecules cm−3 are 8.2 % lower than in a simulation without halogens, leading to an increase in the CH4 lifetime (10.8 % due to OH oxidation from 7.47 to 8.28 years. Oxidation of CH4 by Cl is small (∼  2 % but Cl oxidation of other VOCs (ethane, acetone, and propane can be significant (∼  15–27 %. Oxidation of VOCs by Br is smaller, representing 3.9 % of the loss of acetaldehyde and 0.9 % of the loss of formaldehyde.

Introductory Molecular Orbital Theory: An Honors General Chemistry Computational Lab as Implemented Using Three-Dimensional Modeling Software

Science.gov (United States)

Ruddick, Kristie R.; Parrill, Abby L.; Petersen, Richard L.

2012-01-01

In this study, a computational molecular orbital theory experiment was implemented in a first-semester honors general chemistry course. Students used the GAMESS (General Atomic and Molecular Electronic Structure System) quantum mechanical software (as implemented in ChemBio3D) to optimize the geometry for various small molecules. Extended Huckel…

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

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla, 90112, Thailand; Department of Physics, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12120, Thailand; Department of Chemistry, Faculty of Science, Thaksin University, Papayom, ...

76 FR 24921 - Proposal Review Panel for Chemistry; Notice of Meeting

Science.gov (United States)

2011-05-03

... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Chemistry; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463, as amended), the National Science Foundation..., Program Director, Chemistry Centers Program, Division of Chemistry, Room 1055, National Science Foundation...

76 FR 12996 - Proposal Review Panel for Chemistry; Notice of Meeting

Science.gov (United States)

2011-03-09

... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Chemistry; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463 as amended), the National Science Foundation... Director, Chemistry Centers Program, Division of Chemistry, Room 1055, National Science Foundation, 4201...

76 FR 6499 - Proposal Review Panel for Chemistry; Notice of Meeting

Science.gov (United States)

2011-02-04

... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Chemistry; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463 as amended), the National Science Foundation... Director, Chemistry Centers Program, Division of Chemistry, Room 1055, National Science Foundation, 4201...

The PubChem chemical structure sketcher

Directory of Open Access Journals (Sweden)

Ihlenfeldt Wolf D

2009-12-01

Full Text Available Abstract PubChem is an important public, Web-based information source for chemical and bioactivity information. In order to provide convenient structure search methods on compounds stored in this database, one mandatory component is a Web-based drawing tool for interactive sketching of chemical query structures. Web-enabled chemical structure sketchers are not new, being in existence for years; however, solutions available rely on complex technology like Java applets or platform-dependent plug-ins. Due to general policy and support incident rate considerations, Java-based or platform-specific sketchers cannot be deployed as a part of public NCBI Web services. Our solution: a chemical structure sketching tool based exclusively on CGI server processing, client-side JavaScript functions, and image sequence streaming. The PubChem structure editor does not require the presence of any specific runtime support libraries or browser configurations on the client. It is completely platform-independent and verified to work on all major Web browsers, including older ones without support for Web2.0 JavaScript objects.

School Chemistry: The Need for Transgression

Science.gov (United States)

Talanquer, Vicente

2013-01-01

Studies of the philosophy of chemistry over the past 15 years suggest that chemistry is a hybrid science which mixes scientific pursuits with technological applications. Dominant universal characterizations of the nature of science thus fail to capture the essence of the discipline. The central goal of this position paper is to encourage…

ChemProt-2.0: visual navigation in a disease chemical biology database

DEFF Research Database (Denmark)

Kjærulff, Sonny Kim; Wich, Louis; Kringelum, Jens Vindahl

2013-01-01

ChemProt-2.0 (http://www.cbs.dtu.dk/services/ChemProt-2.0) is a public available compilation of multiple chemical-protein annotation resources integrated with diseases and clinical outcomes information. The database has been updated to > 1.15 million compounds with 5.32 millions bioactivity measu...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

National Initiative on Undergraduate Science (NIUS) Chemistry Programme Fellow, Homi Bhabha Centre for Science Education, Mankhurd, Mumbai, Maharashtra 400 088, India; Department of Chemistry, V. K. Krishna Menon College of Commerce & S. S. Dighe College of Science, Bhandup (E), Mumbai, Maharashtra 400 ...

Nature of Science Instruction to Turkish Prospective Chemistry Teachers: The Effect of Explicit-Reflective Approach

Science.gov (United States)

Aglarci, Oya; Sariçayir, Hakan; Sahin, Musa

2016-01-01

The purpose of this study is to investigate the effect of explicit-reflective nature of science (NOS) instruction on Turkish prospective chemistry teachers' (PCTs) views of NOS. In the research, case study as a qualitative design was used and PCTs' views were examined thoroughly. The participants of the study consisted of 22 senior PCTs. Data…

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…

Liaison activities with the Institute of Physcial Chemistry of the Russian Academy of Sciences: Midyear report

International Nuclear Information System (INIS)

Delegard, C.H.

1996-01-01

The task 'IPC/RAS Liaison and Tank Waste Testing' is a program being conducted in fiscal year (FY) 1996 with the support of the U.S. Department of Energy (DOE) Office of Science and Technology, EM-53 Efficient Separations and Processing (ESP) Crosscutting Program, under the technical task plan (TTP) RLA6C342. The principal investigator is Cal Delegard of the Westinghouse Hanford Company. The task involves a technical liaison with the Institute of Physical Chemistry of the Russian Academy of Sciences (IPC/RAS) and their DOE-supported investigations into the fundamental and applied chemistry of the transuranium elements (primarily neptunium, plutonium, and americium) and technetium in at sign ine media. The task has three purposes: 1. Providing technical information and technical direction to the IPC/RAS. 2. Disseminating IPC/RAS data and information to the DOE technical community. 3. Verifying IPC/RAS results through laboratory testing and comparison with published data

Chemistry {ampersand} Materials Science program report, Weapons Resarch and Development and Laboratory Directed Research and Development FY96

Energy Technology Data Exchange (ETDEWEB)

Chase, L.

1997-03-01

This report is the annual progress report for the Chemistry Materials Science Program: Weapons Research and Development and Laboratory Directed Research and Development. Twenty-one projects are described separately by their principal investigators.

Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP).

Science.gov (United States)

Mirza, Shaher Bano; Bokhari, Habib; Fatmi, Muhammad Qaiser

2015-01-01

Pakistan possesses a rich and vast source of natural products (NPs). Some of these secondary metabolites have been identified as potent therapeutic agents. However, the medicinal usage of most of these compounds has not yet been fully explored. The discoveries for new scaffolds of NPs as inhibitors of certain enzymes or receptors using advanced computational drug discovery approaches are also limited due to the unavailability of accurate 3D structures of NPs. An organized database incorporating all relevant information, therefore, can facilitate to explore the medicinal importance of the metabolites from Pakistani Biodiversity. The Chemical Database of Pakistan (ChemDP; release 01) is a fully-referenced, evolving, web-based, virtual database which has been designed and developed to introduce natural products (NPs) and their derivatives from the biodiversity of Pakistan to Global scientific communities. The prime aim is to provide quality structures of compounds with relevant information for computer-aided drug discovery studies. For this purpose, over 1000 NPs have been identified from more than 400 published articles, for which 2D and 3D molecular structures have been generated with a special focus on their stereochemistry, where applicable. The PM7 semiempirical quantum chemistry method has been used to energy optimize the 3D structure of NPs. The 2D and 3D structures can be downloaded as .sdf, .mol, .sybyl, .mol2, and .pdb files - readable formats by many chemoinformatics/bioinformatics software packages. Each entry in ChemDP contains over 100 data fields representing various molecular, biological, physico-chemical and pharmacological properties, which have been properly documented in the database for end users. These pieces of information have been either manually extracted from the literatures or computationally calculated using various computational tools. Cross referencing to a major data repository i.e. ChemSpider has been made available for overlapping

Describing the direct and indirect radiative effects of atmospheric aerosols over Europe by using coupled meteorology-chemistry simulations: a contribution from the AQMEII-Phase II exercise

Science.gov (United States)

Jimenez-Guerrero, Pedro; Balzarini, Alessandra; Baró, Rocío; Curci, Gabriele; Forkel, Renate; Hirtl, Marcus; Honzak, Luka; Langer, Matthias; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Tuccella, Paolo; Werhahn, Johannes; Zabkar, Rahela

2014-05-01

The study of the response of the aerosol levels in the atmosphere to a changing climate and how this affects the radiative budget of the Earth (direct, semi-direct and indirect effects) is an essential topic to build confidence on climate science, since these feedbacks involve the largest uncertainties nowadays. Air quality-climate interactions (AQCI) are, therefore, a key, but uncertain contributor to the anthropogenic forcing that remains poorly understood. To build confidence in the AQCI studies, regional-scale integrated meteorology-atmospheric chemistry models (i.e., models with on-line chemistry) that include detailed treatment of aerosol life cycle and aerosol impacts on radiation (direct effects) and clouds (indirect effects) are in demand. In this context, the main objective of this contribution is the study and definition of the uncertainties in the climate-chemistry-aerosol-cloud-radiation system associated to the direct radiative forcing and the indirect effect caused by aerosols over Europe, using an ensemble of fully-coupled meteorology-chemistry model simulations with the WRF-Chem model run under the umbrella of AQMEII-Phase 2 international initiative. Simulations were performed for Europe for the entire year 2010. According to the common simulation strategy, the year was simulated as a sequence of 2-day time slices. For better comparability, the seven groups applied the same grid spacing of 23 km and shared common processing of initial and boundary conditions as well as anthropogenic and fire emissions. With exception of a simulation with different cloud microphysics, identical physics options were chosen while the chemistry options were varied. Two model set-ups will be considered here: one sub-ensemble of simulations not taking into account any aerosol feedbacks (the baseline case) and another sub-ensemble of simulations which differs from the former by the inclusion of aerosol-radiation feedback. The existing differences for meteorological

Teaching chemistry and other sciences to blind and low-vision students through hands-on learning experiences in high school science laboratories

Science.gov (United States)

Supalo, Cary Alan

2010-11-01

Students with blindness and low vision (BLV) have traditionally been underrepresented in the sciences as a result of technological and attitudinal barriers to equal access in science laboratory classrooms. The Independent Laboratory Access for the Blind (ILAB) project developed and evaluated a suite of talking and audible hardware/software tools to empower students with BLV to have multisensory, hands-on laboratory learning experiences. This dissertation focuses on the first year of ILAB tool testing in mainstream science laboratory classrooms, and comprises a detailed multi-case study of four students with BLV who were enrolled in high school science classes during 2007--08 alongside sighted students. Participants attended different schools; curricula included chemistry, AP chemistry, and AP physics. The ILAB tools were designed to provide multisensory means for students with BLV to make observations and collect data during standard laboratory lessons on an equivalent basis with their sighted peers. Various qualitative and quantitative data collection instruments were used to determine whether the hands-on experiences facilitated by the ILAB tools had led to increased involvement in laboratory-goal-directed actions, greater peer acceptance in the students' lab groups, improved attitudes toward science, and increased interest in science. Premier among the ILAB tools was the JAWS/Logger Pro software interface, which made audible all information gathered through standard Vernier laboratory probes and visually displayed through Logger Pro. ILAB tools also included a talking balance, a submersible audible light sensor, a scientific talking stopwatch, and a variety of other high-tech and low-tech devices and techniques. While results were mixed, all four participating BLV students seemed to have experienced at least some benefit, with the effect being stronger for some than for others. Not all of the data collection instruments were found to reveal improvements for all

Moving Green Chemistry Forward: Networks as a Foundation

Science.gov (United States)

Carter, T.; Lough, G.

2014-12-01

Green chemistry is a growing discipline, but for a variety of reasons, it has not yet become integrated into science curriculum and the greater societal conscience. With its increasing economic benefits to many sectors including business, industry, and academia and its potential to make science more accessible not only to science students but also to the general citizenry, we suggested answers to the questions: Why has greater success not been realized? What are the particular barriers to wider implementation? And what are incentives and ways to move green chemistry forward? We suggest some strategies and options to both increase the use of green chemistry principles and to also increase stakeholders' understanding of the importance and utility of green chemistry in their daily lives. For example, our main suggestions are that an inclusive, multidisciplinary network would aid in coordinating data and in translating the science into user friendly tools, and that an educational component embedded in this greater effort would also serve to move green chemistry forward.

The physical basis of biochemistry the foundations of molecular biophysics

CERN Document Server

Bergethon, Peter R

1998-01-01

The objective of this book is to provide a unifying approach to the study of biophysical chemistry for the advanced undergraduate who has had a year of physics, organic chem­ istry, calculus, and biology. This book began as a revised edition of Biophysical Chemistry: Molecules to Membranes, which Elizabeth Simons and I coauthored. That short volume was written in an attempt to provide a concise text for a one-semester course in biophysical chemistry at the graduate level. The experience of teaching biophysical chemistry to bi­ ologically oriented students over the last decade has made it clear that the subject requires a more fundamental text that unifies the many threads of modem science: physics, chem­ istry, biology, mathematics, and statistics. This book represents that effort. This volume is not a treatment of modem biophysical chemistry with its rich history and many contro­ versies, although a book on that topic is also needed. The Physical Basis of Biochemistry is an introduction to the philosophy...

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.)

Where is the future of nuclear chemistry

International Nuclear Information System (INIS)

1980-01-01

The future potentials of nuclear chemistry as a natural science with a strong orientation towards practical applications has been discussed at this meeting of 45 experts coming from research institutes and laboratories working in the fields of radiochemistry, nuclear chemistry, inorganic and applied chemistry, hot-atom chemistry, radiobiology, and nuclear biology, and from the two nuclear research centres at Juelich and Karlsruhe. The discussion centred around the four main aspects of future work, namely 1. basic research leading to an extension of the periodic table, nuclear reactions, the chemistry of superheavy elements, cosmochemistry; 2. radionuclide technology and activation analysis; 3. nuclear fuel cycle and reprocessing processes together with ultimate disposal methods; 4. radiochemistry in the life sciences, including nuclear chemistry and applications. (HK) [de

Dr. S. Varadarajan | History | About IASc | Indian Academy of Sciences

Indian Academy of Sciences (India)

Fellow, Royal Soc. of Chem., INSA; President, Indian National Academy of Engg., Nutrition Soc. of India, Oil Technologists Assn. of India. Om Prakash Bhasin Award; Padma Bhushan 85. Sc. Work in organic and Biological Chemistry and Chemical Technology. Worked on natural products, on plant products, particularly ...

Contribution from philosophy of chemistry to chemistry education: In a case of ionic liquids as technochemistry

Science.gov (United States)

Mudzakir, Ahmad; Hernani, Widhiyanti, Tuszie; Sudrajat, Devi Pratiwi

2017-08-01

Traditional chemistry education is commonly handing down of concepts, principles, and theories, such as mechanical properties, the relationship between structure and properties as well as chemical structure and chemical bonding theory, to students without engaging them in the processes of chemical inquiry. This practice leads to the lack of opportunity for the students to construct an appropriate understanding of these concepts, principles, and theories. Students are also rarely facilitated in modeling the structure and function of matter themselves. This situation shows that the philosophy of chemistry has not received as much attention from chemistry educators. The main idea of this paper is to embed philosophy of chemistry through the implementation of technochemistry in chemistry education. One of the most interesting and rapidly developing areas of modern chemistry, technologies and engineering is Ionic Liquids (ILs) as an emerging knowledge on technochemistry which can be applied to chemistry education. The developments between academic researchers and industrial developments in the ILs area are conducted in parallel. In order to overcome the existing problems of scientific development in chemistry education, the science and technology of ILs can be used for reconceptualizing the teaching and learning of chemistry to embrace the epistemology in chemistry. This study promises a potential contribution by philosophy of chemistry. The main objectives of this study are to develop: (i) a perspective based on philosophy of science considerations (rational reconstruction) in order to understand ionic liquids and (ii) teaching materials that can be used to enhance pre-service teacher's view of nature of science and technology (VNOST). The method used in the study is analytical-descriptive (elementarization), i.e. the first step in the model of educational reconstruction (MER). This study concludes that the development of the concepts and their applications of ionic

Green Chemistry

Energy Technology Data Exchange (ETDEWEB)

Collison, Melanie

2011-05-15

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

Bergman cyclization in polymer chemistry and material science.

Science.gov (United States)

Xiao, Yuli; Hu, Aiguo

2011-11-01

Bergman cyclization of enediynes, regarded as a promising strategy for anticancer drugs, now finds its own niche in the area of polymer chemistry and material science. The highly reactive aromatic diradicals generated from Bergman cyclization can undergo polymerization acting as either monomers or initiators of other vinyl monomers. The former, namely homopolymerization, leads to polyphenylenes and polynaphthalenes with excellent thermal stability, good solubility, and processability. The many remarkable properties of these aromatic polymers have further endowed them to be manufactured into carbon-rich materials, e.g., glassy carbons and carbon nanotubes. Whereas used as initiators, enediynes provide a novel resource for high molecular weight polymers with narrow polydispersities. The aromatic diradicals are also useful for introducing oligomers or polymers onto pristine carbonous nanomaterials, such as carbon nano-onions and carbon nanotubes, to improve their dispersibility in organic solvents and polymer solutions. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Does Everyone's Motivational Beliefs about Physical Science Decline in Secondary School?: Heterogeneity of Adolescents' Achievement Motivation Trajectories in Physics and Chemistry.

Science.gov (United States)

Wang, Ming-Te; Chow, Angela; Degol, Jessica Lauren; Eccles, Jacquelynne Sue

2017-08-01

Students' motivational beliefs about learning physical science are critical for achieving positive educational outcomes. In this study, we incorporated expectancy-value theory to capture the heterogeneity of adolescents' motivational trajectories in physics and chemistry from seventh to twelfth grade and linked these trajectories to science-related outcomes. We used a cross-sequential design based on three different cohorts of adolescents (N = 699; 51.5 % female; 95 % European American; M ages for youngest, middle, and oldest cohorts at the first wave = 13.2, 14.1, and 15.3 years) coming from ten public secondary schools. Although many studies claim that physical science motivation declines on average over time, we identified seven differential motivational trajectories of ability self-concept and task values, and found associations of these trajectories with science achievement, advanced science course taking, and science career aspirations. Adolescents' ability self-concept and task values in physics and chemistry were also positively related and interlinked over time. Examining how students' motivational beliefs about physical science develop in secondary school offers insight into the capacity of different groups of students to successfully adapt to their changing educational environments.

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

Science.gov (United States)

Pham, Buu Q; Gordon, Mark S

2016-12-07

The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

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.

From Matter to Life: Chemistry?!

Indian Academy of Sciences (India)

chemistry came along at milder temperatures; particles formed atoms; these ... Chemistry is the science of matter and of its transformations, and life is its highest ..... information. The progression from elementary particles to the nucleus, the.

Chemistry Education Research Trends: 2004-2013

Science.gov (United States)

Teo, Tang Wee; Goh, Mei Ting; Yeo, Leck Wee

2014-01-01

This paper presents findings from a content analysis of 650 empirical chemistry education research papers published in two top-tiered chemistry education journals "Chemistry Education Research and Practice" and "Journal of Chemical Education," and four top-tiered science education journals "International Journal of Science…

A case study of the effects of social experiences on the science identity formation of Mexican American females in high school chemistry

Science.gov (United States)

Beeton, Renee P.

Mexican Americans are a rapidly growing ethnic group in the United States. However, they are noticeably absent from physical science fields. Little research has explored the experiences of Mexican American girls in high school chemistry. The theories of identity based on communities of practice and multicultural feminism framed this year-long case study of nine Mexican American girls in a high school chemistry course. This study explored the social encounters and experiences that shaped the participants' identities and how their views of themselves affected their attitudes towards high school chemistry and future science careers. Data collection included a focus group and in-depth interviews with the participants, classroom observations, and teacher interviews. Five main identities influenced the participants' potential to become a scientist: ethnic, gender, science, student, and college. Mexican ethnic identity was the overarching identity; however gender also influenced the participants' other identities. The participants were aware of ethnic gender stereotypes that might hinder them from being successful in science. Also, ethnic factors, such as citizenship and abilities to receive financial aid limited their views of themselves as chemists. Participatory science, student, and school identities were all needed in order for the participants to be potential scientists. Family expectations, authentic relationships with teachers, and personal connections were important factors in the development of these participatory identities.

A green chemistry approach

Indian Academy of Sciences (India)

Administrator

One-pot synthesis of quinaldine derivatives by using microwave irradiation without any solvent – A green chemistry approach. JAVAD SAFARI*, SAYED HOSSEIN BANITABA and SEPEHR SADEGH SAMIEI. Department of Chemistry, The Faculty of sciences, University of Kashan, Kashan,. P.O. Box 87317-51167, I.R. Iran.

Chemistry and Materials Science Department annual report, 1988--1989

Energy Technology Data Exchange (ETDEWEB)

Borg, R.J.; Sugihara, T.T.; Cherniak, J.C.; Corey, C.W. [eds.

1989-12-31

This is the first annual report of the Chemistry & Materials Science (C&MS) Department. The principal purpose of this report is to provide a concise summary of our scientific and technical accomplishments for fiscal years 1988 and 1989. The report is also tended to become part of the archival record of the Department`s activities. We plan to publish future editions annually. The activities of the Department can be divided into three broad categories. First, C&MS staff are assigned by the matrix system to work directly in a program. These programmatic assignments typically involve short deadlines and critical time schedules. A second category is longer-term research and development in technologies important to Laboratory programs. The focus and direction of this technology-base work are generally determined by programmatic needs. Finally, the Department manages its own research program, mostly long-range in outlook and basic in orientation. These three categories are not mutually exclusive but form a continuum of technical activities. Representative examples of all three are included in this report. The principal subject matter of this report has been divided into six sections: Innovations in Analysis and Characterization, Advanced Materials, Metallurgical Science and Technology, Surfaces and Interfaces, Energetic Materials and Chemical Synthesis, and Energy-Related Research and Development.

ChemProt-3.0: a global chemical biology diseases mapping

DEFF Research Database (Denmark)

Kringelum, Jens Vindahl; Kjærulff, Sonny Kim; Brunak, Søren

2016-01-01

ChemProt is a publicly available compilation of chemical-protein-disease annotation resources that enables the study of systems pharmacology for a small molecule across multiple layers of complexity from molecular to clinical levels. In this third version, ChemProt has been updated to more than 1...... properties. In addition, the user has the possibility to search by compound, target, pathway, disease and clinical effect. Genetic variations associated to target proteins were integrated, making it possible to plan pharmacogenetic studies and to suggest human response variability to drug. Finally...

Chemistry Today and Tomorrow-The Central, Useful, and Creative ...

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 5. Chemistry Today and Tomorrow – The Central, Useful and Creative Science. Uday Maitra. Book Review Volume 2 ... Author Affiliations. Uday Maitra1. Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012, India.

An assemblage of science and home. The gendered lifestyle of Svante Arrhenius and early twentieth-century physical chemistry.

Science.gov (United States)

Bergwik, Staffan

2014-06-01

This essay explores the gendered lifestyle of early twentieth-century physics and chemistry and shows how that way of life was produced through linking science and home. In 1905, the Swedish physical chemist Svante Arrhenius married Maja Johansson and established a scientific household at the Nobel Institute for Physical Chemistry in Stockholm. He created a productive context for research in which ideas about marriage and family were pivotal. He also socialized in similar scientific sites abroad. This essay displays how scholars in the international community circulated the gendered lifestyle through frequent travel and by reproducing gendered behavior. Everywhere, husbands and wives were expected to perform distinct duties. Shared performances created loyalties across national divides. The essay thus situates the physical sciences at the turn of the twentieth century in a bourgeois gender ideology. Moreover, it argues that the gendered lifestyle was not external to knowledge making but, rather, foundational to laboratory life. A legitimate and culturally intelligible lifestyle produced the trust and support needed for collaboration. In addition, it enabled access to prestigious facilities for Svante Arrhenius, ultimately securing his position in international physical chemistry.

I:\\AA-TYPESET\\CHEM\\2005\\Van Es.vp

African Journals Online (AJOL)

NJD

aDepartment of Biochemistry and Microbiology, Cook College, Rutgers The State University of New Jersey, 08903-0231, USA. .... 4 formation is expected to transfer to the more basic nitrogen of ...... Jouannetaud, French Patent (2000). Chem.

Informal science education at Science City

Science.gov (United States)

French, April Nicole

The presentation of chemistry within informal learning environments, specifically science museums and science centers is very sparse. This work examines learning in Kansas City's Science City's Astronaut Training Center in order to identify specific behaviors associated with visitors' perception of learning and their attitudes toward space and science to develop an effective chemistry exhibit. Grounded in social-constructivism and the Contextual Model of Learning, this work approaches learning in informal environments as resulting from social interactions constructed over time from interaction between visitors. Visitors to the Astronaut Training Center were surveyed both during their visit and a year after the visit to establish their perceptions of behavior within the exhibit and attitudes toward space and science. Observations of visitor behavior and a survey of the Science City staff were used to corroborate visitor responses. Eighty-six percent of visitors to Science City indicated they had learned from their experiences in the Astronaut Training Center. No correlation was found between this perception of learning and visitor's interactions with exhibit stations. Visitor attitudes were generally positive toward learning in informal settings and space science as it was presented in the exhibit. Visitors also felt positively toward using video game technology as learning tools. This opens opportunities to developing chemistry exhibits using video technology to lessen the waste stream produced by a full scale chemistry exhibit.

Challenging Gifted Learners: General Principles for Science Educators; and Exemplification in the Context of Teaching Chemistry

Science.gov (United States)

Taber, Keith S.

2010-01-01

There is concern in some counties about the number of able young people entering degree level study and careers in physical science, including chemistry. Too few of the most talented young people are selecting "STEM" subjects to ensure the future supply of scientists, engineers and related professionals. The present paper sets out general…

Supra-amphiphiles: a new bridge between colloidal science and supramolecular chemistry.

Science.gov (United States)

Kang, Yuetong; Liu, Kai; Zhang, Xi

2014-06-03

In addition to conventional amphiphiles, an emerging research area is supra-amphiphiles, which are constructed on the basis of noncovalent interactions and dynamic covalent bonds. In this feature article, we have provided a general introduction to the concept, design principles, and topologies of supra-amphiphiles, starting from some rationally tailored building blocks. In addition, we highlight some progress in the functional assembly of supra-amphiphiles, such as responsive nanoscale carriers, antibacterial and antitumor agents, fluorescent-based chemical sensors, and enzyme mimics. The supra-amphiphile is a new bridge between colloidal science and supramolecular chemistry, and it is a field where we can make full use of our imaginative power.

Metallurgical electrochemistry: the interface between materials science and molten salt chemistry

International Nuclear Information System (INIS)

Sadoway, D.R.

1991-01-01

Even though molten salt electrolysis finds application in the primary extraction of metals (electrowinning), the purification and recycling of metals (electrorefining), and in the formation of metal coatings (electroplating), the technology remains in many respects underexploited. Electrolysis in molten salts as well as other nonaqueous media has enormous potential for materials processing. First, owing to the special attributes of nonaqueous electrolytes electrochemical processing in these media has an important role to play in the generation of advanced materials, i.e., materials with specialized chemistries or tailored microstructures (electrosynthesis). Secondly, as environmental quality standards rise beyond the capabilities of classical metals extraction technologies to comply, molten salt electrolysis may prove to be the only acceptable route from ore to metal. Growing public awareness of pollution from the metals industry could stimulate a renaissance in molten salt electrochemistry. Challenges facing metallurgical electrochemistry as relates to the environment fall into two categories: (1) improving existing electrochemical technology, and (2) developing clean electrochemical technology to displace current nonelectrochemical technology. In both instances success hinges upon the discovery of advanced materials and the ecologically sound extraction of metals, the close coupling between materials science and molten salt chemistry is manifest. (author) 6 refs

Position paper on main areas of nuclear chemistry research and application

International Nuclear Information System (INIS)

2001-01-01

Nuclear chemistry, with its specialized areas of nuclear chemistry, radiochemistry, and radiation chemistry, mainly covers these fields: basic research in nuclear chemistry; actinide chemistry; radioanalysis; nuclear chemistry in the life sciences, geosciences, and cosmic chemistry; radiotracers in technology; nuclear power technology; nuclear waste management; tritium chemistry in fusion technology, and radiation protection and radioecology. In the more than one hundred years of history of this branch of science and technology, which was opened up by the discovery of radioactivity and of the radioelements, pioneering discoveries and developments have been made in many sectors. Far beyond the confines of this area of work, they have achieved overriding importance in applications in many fields of technology and industry and in the life sciences. Research and application in nuclear chemistry continue to be highly relevant to society, ecology, and the economy, and the potential of science and technology in this field in Germany is acknowledged internationally. In the light of this vast area of activity, and against the need to maintain competence in nuclear chemistry for the use of nuclear power, irrespective of the status of this continued use in Germany, nuclear chemistry is indispensable to the solution of future problems. The Nuclear Chemistry Group of the Gesellschaft Deutscher Chemiker therefore uses this position paper to draw attention to the urgent need to keep up and further advance nuclear chemistry applications in a variety of areas of science and technology, also as a public duty of thorough education and research. (orig.) [de

Simulations of the Holuhraun eruption 2014 with WRF-Chem and evaluation with satellite and ground based SO2 measurements

Science.gov (United States)

Hirtl, Marcus; Arnold-Arias, Delia; Flandorfer, Claudia; Maurer, Christian; Mantovani, Simone; Natali, Stefano

2016-04-01

Volcanic eruptions, with gas or/and particle emissions, directly influence our environment, with special significance when they either occur near inhabited regions or are transported towards them. In addition to the well-known affectation of air traffic, with large economic impacts, the ground touching plumes can lead directly to an influence of soil, water and even to a decrease of air quality. The eruption of Holuhraun in August 2014 in central Iceland is the country's largest lava and gas eruption since the Lakagígar eruption in 1783. Nevertheless, very little volcanic ash was produced. The main atmospheric threat from this event was the SO2 pollution that frequently violated the Icelandic National Air Quality Standards in many population centers. However, the SO2 affectation was not limited to Iceland but extended to mainland Europe. The on-line coupled model WRF-Chem is used to simulate the dispersion of SO2 for this event that affected the central European regions. The volcanic emissions are considered in addition to the anthropogenic and biogenic ground sources at European scale. A modified version of WRF-Chem version 4.1 is used in order to use time depending injection heights and mass fluxes which were obtained from in situ observations. WRF-Chem uses complex gas- (RADM2) and aerosol- (MADE-SORGAM) chemistry and is operated on a European domain (12 km resolution), and a nested grid covering the Alpine region (4 km resolution). The study is showing the evaluation of the model simulations with satellite and ground based measurement data of SO2. The analysis is conducted on a data management platform, which is currently developed in the frame of the ESA-funded project TAMP "Technology and Atmospheric Mission Platform": it provides comprehensive functionalities to visualize and numerically compare data from different sources (model, satellite and ground-measurements).

Kant and the nature of matter: Mechanics, chemistry, and the life sciences.

Science.gov (United States)

Gaukroger, Stephen

2016-08-01

Kant believed that the ultimate processes that regulate the behavior of material bodies can be characterized exclusively in terms of mechanics. In 1790, turning his attention to the life sciences, he raised a potential problem for his mechanically-based account, namely that many of the operations described in the life sciences seemed to operate teleologically. He argued that the life sciences do indeed require us to think in teleological terms, but that this is a fact about us, not about the processes themselves. Nevertheless, even were we to concede his account of the life sciences, this would not secure the credentials of mechanics as a general theory of matter. Hardly any material properties studied in the second half of the eighteenth century were, or could have been, conceived in mechanical terms. Kant's concern with teleology is tangential to the problems facing a general matter theory grounded in mechanics, for the most pressing issues have nothing to do with teleology. They derive rather from a lack of any connection between mechanical forces and material properties. This is evident in chemistry, which Kant dismisses as being unscientific on the grounds that it cannot be formulated in mechanical terms. Copyright © 2016 Elsevier Ltd. All rights reserved.

Correcting for variable laser-target distances of laser-induced breakdown spectroscopy measurements with ChemCam using emission lines of Martian dust spectra

Energy Technology Data Exchange (ETDEWEB)

Melikechi, N.; Mezzacappa, A. [Optical Science Center for Applied Research, Delaware State University, Dover, DE (United States); Cousin, A.; Lanza, N.L. [Los Alamos National Laboratory, Los Alamos, NM (United States); Lasue, J. [Institut de Recherche en Astophysique et Planetologie (IRAP), Universite' Paul Sabatier, Toulouse (France); Clegg, S.M. [Los Alamos National Laboratory, Los Alamos, NM (United States); Berger, G. [Institut de Recherche en Astophysique et Planetologie (IRAP), Universite' Paul Sabatier, Toulouse (France); Wiens, R.C. [Los Alamos National Laboratory, Los Alamos, NM (United States); Maurice, S. [Institut de Recherche en Astophysique et Planetologie (IRAP), Universite' Paul Sabatier, Toulouse (France); Tokar, R.L.; Bender, S. [Planetary Science Institute, Flagstaff, AZ (United States); Forni, O. [Institut de Recherche en Astophysique et Planetologie (IRAP), Universite' Paul Sabatier, Toulouse (France); Breves, E.A.; Dyar, M.D. [Dept. of Astronomy, Mount Holyoke College, South Hadley, MA (United States); Frydenvang, J. [The Niels Bohr Institute, University of Copenhagen, Copenhagen (Denmark); Delapp, D. [Los Alamos National Laboratory, Los Alamos, NM (United States); Gasnault, O. [Institut de Recherche en Astophysique et Planetologie (IRAP), Universite' Paul Sabatier, Toulouse (France); Newsom, H.; Ollila, A.M. [Earth and Planetary Sciences, University of New Mexico, Alburquerque, NM (United States); Lewin, E. [Institut des Sciences de la Terre, Universite Grenoble l-CNRS, Grenoble (France); and others

2014-06-01

As part of the Mars Science Laboratory, the ChemCam instrument acquires remote laser induced breakdown spectra at distances that vary between 1.56 m and 7 m. This variation in distance affects the intensities of the measured LIBS emission lines in non-trivial ways. To determine the behavior of a LIBS emission line with distance, it is necessary to separate the effects of many parameters such as laser energy, laser spot size, target homogeneity, and optical collection efficiency. These parameters may be controlled in a laboratory on Earth but for field applications or in space this is a challenge. In this paper, we show that carefully selected ChemCam LIBS emission lines acquired from the Martian dust can be used to build an internal proxy spectroscopic standard. This in turn, allows for a direct measurement of the effects of the distance of various LIBS emission lines and hence can be used to correct ChemCam LIBS spectra for distance variations. When tested on pre-launch LIBS calibration data acquired under Martian-like conditions and with controlled and well-calibrated targets, this approach yields much improved agreement between targets observed at various distances. This work lays the foundation for future implementation of automated routines to correct ChemCam spectra for differences caused by variable distance. - Highlights: • Selected Martian dust emission lines are used to correct for variable laser-target distances. • The correction model yields improved agreement between targets observed at various distances. • The impact of the model reduces the bias between predicted and actual compositions by as much as 70%. • When implemented, the model will yield spectral corrections for various ChemCam measurements. • This work is a foundation to perform novel stand-off LIBS measurements on Earth and other planets.

Atmospheric chemistry and climate

OpenAIRE

Satheesh, SK

2012-01-01

Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

Stereotype threat's effect on women's achievement in chemistry: The interaction of achievement goal orientation for women in science majors

Science.gov (United States)

Conway-Klaassen, Janice Marjorie

"Stereotype threat is being at risk of confirming, as a self-characteristic, a negative stereotype about one's group" (C. M. Steele & Aronson, 1995, p. 797). A stereotype threat effect then is described as the detrimental impact on a person's performance or achievement measurements when they are placed in a stereotype threat environment. For women, the negative stereotype that exists in our culture states that women are typically not as capable as men in mathematics or science subjects. This study specifically explored the potential impact of stereotype threat on women who have chosen a science-based college major. They were tested in the domain of chemistry, which is related to mathematics and often involves high level of mathematics skills. I attempted to generate a stereotype threat in the participants through describing a chemistry challenge exam as either one that had consistently shown a gender bias against women and to create a nullification effect by describing the exam as one that had shown no gender bias in the past. In the third experimental condition acting as a control, participants received only generic instructions related to taking the test itself. The second part of this study investigated whether stereotype threat effects could impact women's achievement goal orientations. In previous studies performance avoidance goal orientations have been associated with individuals placed in a stereotype threat environment. The findings on the stereotype threat effect were not significant for the chemistry challenge test achievement scores. This may be due to several factors. One factor may be the design of the chemistry challenge test and the instructions for the test. The other factor may be the women in this study. As individuals who have chosen a science based major, they may have developed coping skills and strategies that reduced the impact of a stereotype threat. It is also possible that the testing environment itself generated an implicit stereotype

Factor analysis for instruments of science learning motivation and its implementation for the chemistry and biology teacher candidates

Science.gov (United States)

Prasetya, A. T.; Ridlo, S.

2018-03-01

The purpose of this study is to test the learning motivation of science instruments and compare the learning motivation of science from chemistry and biology teacher candidates. Kuesioner Motivasi Sains (KMS) in Indonesian adoption of the Science Motivation Questionnaire II (SMQ II) consisting of 25 items with a 5-point Likert scale. The number of respondents for the Exploratory Factor Analysis (EFA) test was 312. The Kaiser-Meyer-Olkin (KMO), determinant, Bartlett’s Sphericity, Measures of Sampling Adequacy (MSA) tests against KMS using SPSS 20.0, and Lisrel 8.51 software indicate eligible indications. However testing of Communalities obtained results that there are 4 items not qualified, so the item is discarded. The second test, all parameters of eligibility and has a magnitude of Root Mean Square Error of Approximation (RMSEA), P-Value for the Test of Close Fit (RMSEA <0.05), Goodness of Fit Index (GFI) was good. The new KMS with 21 valid items and composite reliability of 0.9329 can be used to test the level of learning motivation of science which includes Intrinsic Motivation, Sefl-Efficacy, Self-Determination, Grade Motivation and Career Motivation for students who master the Indonesian language. KMS trials of chemistry and biology teacher candidates obtained no significant difference in the learning motivation between the two groups.

Chem systems

International Nuclear Information System (INIS)

Anon.

1992-01-01

This paper reports that world styrene demand, paced by a near doubling of combined requirements in East Asia and Oceania, could reach 19.3 million metric tons by 2000, an average growth rate of 3.7%/year. So concludes Chem Systems Inc., Tarrytown, N.Y., in a study of world styrene markets through the end of the century. Pacific Rim styrene production and consumption throughout the 1990s are predicted to make up increasingly larger shares of world markets, while demand and production lag in the U.S. and western Europe. Demand and capacity in other parts of the world will grow in real terms, increasing combined market shares only slightly. Most of the increase will be driven by demand in East Asia and Oceania, where consumption by century's end is expected to increase 4.48 million metric tons from 2.25 million tons in 1991. Meantime, Japan's styrene demand in 2000 is projected at 2.64 million tons, a 500,000 ton increase from 1991 demand but a net market loss of 1.9%

Progress report, Chemistry and Materials Division, October 1 to December 31, 1975

International Nuclear Information System (INIS)

1976-01-01

Interim research results are reported in solid state science (ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis), general chemistry (analytical chemistry, hydrogen-water exchange, radioactivity measurements, electrochemistry), physical chemistry (radiation and isotope chemistry), materials science (surface chemistry and metal physics), and university research (deuterium exchange and zirconium alloy properties). (E.C.B.)

Undergraduate Chemistry Education: A Workshop Summary

Science.gov (United States)

Sawyer, Keegan; Alper, Joe

2014-01-01

"Undergraduate Chemistry Education" is the summary of a workshop convened in May 2013 by the Chemical Science Roundtable of the National Research Council to explore the current state of undergraduate chemistry education. Research and innovation in undergraduate chemistry education has been done for many years, and one goal of this…

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

... Tehran University of Medical Sciences, Tehran, Iran; Department of Medicinal Chemistry, Faculty of Pharmacy, Shahid Sadoughi University of Medical Sciences, Yazd, Iran; Department of Medicinal Chemistry, Faculty of Pharmacy and Neuroscience Research Center, Institute of Neuropharmacology, Kerman University of ...

Education-oriented Physics-Chemistry for Universities

Directory of Open Access Journals (Sweden)

B. Spoelstra

1985-03-01

Full Text Available The shortage of well-qualified Science teachers is discussed, and possible contributing factors are mentioned. The need for an education-oriented university education in Physics and Chemistry, parallel to the existing courses in Physics and Chemistry, is justified. At the University of Zululand a subject called “Physical Science” (“Natuurwetenskap” was established, bearing in mind the specific requirements of a teaching career in Physical Science at secondary level. “Physical Science” is offered at second and third year level and the syllabus covers equal amounts of Chemistry and Physics. A less formal-mathematical and more descriptive approach is followed, and as wide a field as possible is covered which includes new developments in the physical sciences. We believe that this new course will enhance the training of well-prepared teachers of Physical Science for secondary schools, where a severe shortage prevails. Special reference is made here to the situation in Black schools.

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa

2017-09-15

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa; Laref, Slimane; Raupach, Marc; Tonner, Ralf Ewald

2017-01-01

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

NutriChem 2.0: exploring the effect of plant-based foods on human health and drug efficacy

DEFF Research Database (Denmark)

Ni, Yueqiong; Jensen, Kasper; Kouskoumvekaki, Eirini

2017-01-01

NutriChem is a database generated by text mining of 21 million MEDLINE abstracts that links plant-based foods with their small molecule components and human health effect. In this new, second release of NutriChem (NutriChem 2.0) we have integrated information on overlapping protein targets between...

Tropospheric ozone using an emission tagging technique in the CAM-Chem and WRF-Chem models

Science.gov (United States)

Lupascu, A.; Coates, J.; Zhu, S.; Butler, T. M.

2017-12-01

Tropospheric ozone is a short-lived climate forcing pollutant. High concentration of ozone can affect human health (cardiorespiratory and increased mortality due to long-term exposure), and also it damages crops. Attributing ozone concentrations to the contributions from different sources would indicate the effects of locally emitted or transported precursors on ozone levels in specific regions. This information could be used as an important component of the design of emissions reduction strategies by indicating which emission sources could be targeted for effective reductions, thus reducing the burden of ozone pollution. Using a "tagging" approach within the CAM-Chem (global) and WRF-Chem (regional) models, we can quantify the contribution of individual emission of NOx and VOC precursors on air quality. Hence, when precursor emissions of NOx are tagged, we have seen that the largest contributors on ozone levels are the anthropogenic sources, while in the case of precursor emissions of VOCs, the biogenic sources and methane account for more than 50% of ozone levels. Further, we have extended the NOx tagging method in order to investigate continental source region contributions to concentrations of ozone over various receptor regions over the globe, with a zoom over Europe. In general, summertime maximum ozone in most receptor regions is largely attributable to local emissions of anthropogenic NOx and biogenic VOC. During the rest of the year, especially during springtime, ozone in most receptor regions shows stronger influences from anthropogenic emissions of NOx and VOC in remote source regions.

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.

Science.gov (United States)

McGuire, Ross; Verhoeven, Stefan; Vass, Márton; Vriend, Gerrit; de Esch, Iwan J P; Lusher, Scott J; Leurs, Rob; Ridder, Lars; Kooistra, Albert J; Ritschel, Tina; de Graaf, Chris

2017-02-27

3D-e-Chem-VM is an open source, freely available Virtual Machine ( http://3d-e-chem.github.io/3D-e-Chem-VM/ ) that integrates cheminformatics and bioinformatics tools for the analysis of protein-ligand interaction data. 3D-e-Chem-VM consists of software libraries, and database and workflow tools that can analyze and combine small molecule and protein structural information in a graphical programming environment. New chemical and biological data analytics tools and workflows have been developed for the efficient exploitation of structural and pharmacological protein-ligand interaction data from proteomewide databases (e.g., ChEMBLdb and PDB), as well as customized information systems focused on, e.g., G protein-coupled receptors (GPCRdb) and protein kinases (KLIFS). The integrated structural cheminformatics research infrastructure compiled in the 3D-e-Chem-VM enables the design of new approaches in virtual ligand screening (Chemdb4VS), ligand-based metabolism prediction (SyGMa), and structure-based protein binding site comparison and bioisosteric replacement for ligand design (KRIPOdb).

Remedial mathematics for quantum chemistry

NARCIS (Netherlands)

Koopman, L.; Brouwer, N.; Heck, A.; Buma, W.J.

2008-01-01

Proper mathematical skills are important for every science course and mathematics-intensive chemistry courses rely on a sound mathematical pre-knowledge. In the first-year quantum chemistry course at this university, it was noticed that many students lack basic mathematical knowledge. To tackle the

Computational quantum chemistry website

International Nuclear Information System (INIS)

1997-01-01

This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

Dust modeling over East Asia during the summer of 2010 using the WRF-Chem model

Science.gov (United States)

Zhang, B.; Huang, J.; Chen, S.

2017-12-01

An intense summer dust storm over East Asia during June 24-27, 2010, was systematically analyzed using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) and a variety of in situ measurements and satellite retrievals. The results showed that the WRF-Chem model captured the spatial and temporal distributions of meteorological factors and dust aerosols over East Asia. This summer dust storm was initiated by the approach of a transverse trough in the northwestern Xinjiang. Because of the passage of the cutoff-low, a large amount of cold air was transported southward and further enhanced in the narrow valleys of the Altai and Tianshan Mountains, which resulted in higher wind speeds and huge dust emissions over the Taklimakan Desert (TD). Dust emission fluxes over the TD were as high as 54 μg m-2 s-1 on June 25th. The dust aerosols from the TD then swept across Inner Mongolia, Ningxia and Mongolia, and some were also transported eastward to Beijing, Tianjin, the Hebei region, and even South Korea and Japan. The simulations further showed that summer dust over East Asia exerts an important influence on the radiation budget in the Earth-atmosphere system. Dust heat the atmosphere at a maximum heating rate of 0.14 k day-1, effectively changing the vertical stability of the atmosphere and affecting climate change at regional and even global scales. The dust event-averaged direct radiative forcing induced by dust particles over the TD at all-sky was -6.0, -16.8 and 10.8 W m-2 at the top of the atmosphere, the surface, and in the atmosphere, respectively.

The physical basis of chemistry

CERN Document Server

Warren, Warren S

2000-01-01

If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve

Coupling spectral-bin cloud microphysics with the MOSAIC aerosol model in WRF-Chem: Methodology and results for marine stratocumulus clouds

Science.gov (United States)

Gao, Wenhua; Fan, Jiwen; Easter, R. C.; Yang, Qing; Zhao, Chun; Ghan, Steven J.

2016-09-01

Aerosol-cloud interaction processes can be represented more physically with bin cloud microphysics relative to bulk microphysical parameterizations. However, due to computational power limitations in the past, bin cloud microphysics was often run with very simple aerosol treatments. The purpose of this study is to represent better aerosol-cloud interaction processes in the Chemistry version of Weather Research and Forecast model (WRF-Chem) at convection-permitting scales by coupling spectral-bin cloud microphysics (SBM) with the MOSAIC sectional aerosol model. A flexible interface is built that exchanges cloud and aerosol information between them. The interface contains a new bin aerosol activation approach, which replaces the treatments in the original SBM. It also includes the modified aerosol resuspension and in-cloud wet removal processes with the droplet loss tendencies and precipitation fluxes from SBM. The newly coupled system is evaluated for two marine stratocumulus cases over the Southeast Pacific Ocean with either a simplified aerosol setup or full-chemistry. We compare the aerosol activation process in the newly coupled SBM-MOSAIC against the SBM simulation without chemistry using a simplified aerosol setup, and the results show consistent activation rates. A longer time simulation reinforces that aerosol resuspension through cloud drop evaporation plays an important role in replenishing aerosols and impacts cloud and precipitation in marine stratocumulus clouds. Evaluation of the coupled SBM-MOSAIC with full-chemistry using aircraft measurements suggests that the new model works realistically for the marine stratocumulus clouds, and improves the simulation of cloud microphysical properties compared to a simulation using MOSAIC coupled with the Morrison two-moment microphysics.

How Does the Science Writing Heuristic Approach Affect Students' Performances of Different Academic Achievement Levels? A Case for High School Chemistry

Science.gov (United States)

Kingir, Sevgi; Geban, Omer; Gunel, Murat

2012-01-01

This study investigates the effects of the Science Writing Heuristic (SWH), known as an argumentation-based science inquiry approach, on Grade 9 students' performance on a post-test in relation to their academic achievement levels. Four intact classes taught by 2 chemistry teachers from a Turkish public high school were selected for the study; one…

Getting Real: A General Chemistry Laboratory Program Focusing on "Real World" Substances

Science.gov (United States)

Kerber, Robert C.; Akhtar, Mohammad J.

1996-11-01

-ended exercise on comparison of synthetic and "organic" vitamin C using student-initiated means, including infrared analysis and acid-base and redox titrations. Acknowledgments We gratefully acknowledge the participation of our colleague Robert Schneider in the implementation of this program. Expansion of the program through incorporation of infrared has been made possible by support of the National Science Foundation's Division of Undergraduate Education through grant DUE-9552250, which we also acknowledge with gratitude. Literature Cited 1. An analogous focus in an analytical chemistry laboratory has been described: Sherren, A. T. J. Chem. Educ. 1991, 68, 598-599. 2. Neidig, H. A., Ed. Modular Laboratory Program in Chemistry; Chemical Education Resources, Inc., P. O. Box 357, Palmyra, PA 17078. 3. Kandel, M. J. Chem. Educ. 1989, 66, 322-323; 1988, 65, 782-783. 4. Solomon, S.; Fulep-Poszmik, A.; Lee, A. J. Chem. Educ. 1991, 68, 328-329. 5. Deckey, G. MLPC Module ANAL-335; see ref 2. 6. Wolthuis, E. MLPC Module ANAL-416; see ref 2. 7. Flowers, P. A. J. Chem. Educ. 1990, 67, 1068-1069. 8. Burgstahler, A. W. J. Chem. Educ. 1992, 69, 575-576. 9. Gillette, M. L.; Neidig, H. A. MLPC Module ANAL-361; see ref 2. 10. Markow, P. G. MLPC Module ANAL-372; see ref 2. 11. Fuchsman, W. H.; Garg, S. J. Chem. Educ. 1990, 67, 67-69. 12. Neidig, H. A.; Spencer, J. N. MLPC Module ANAL-395; see ref 2. 13. Glogovsky, R. L. MLPC Module SYNT-439; see ref 2. 14. Street, K. W. J. Chem. Educ. 1988, 65, 914-915. 15. Forland, K. S.; Hauge-Nilsen, G. S. J. Chem. Educ. 1991, 68, 1674-675; Griswold, J. R.; Rauner, R. A. J. Chem. Educ. 1990, 67, 1516-517. 16. Atkins, R. C. J. Chem. Educ. 1975, 52, 550. 17. McCormick, P. G. J. Chem. Educ. 1973, 50, 136-137. 18. Bailey, D. N. J. Chem. Educ. 1974, 51, 488-489. 19. Bowen, H. J. M. J. Chem. Educ. 1990, 67, 75-77; Cloutier, H.; Prud'homme, R. E. J. Chem. Educ. 1985, 62, 815-819. 20. Sherman, M. C. Polymers in Chemistry: Experiments and 2Demonstrations; Workshop

Phosphorus–nitrogen compounds: Part 15. Synthesis ...

Indian Academy of Sciences (India)

Wintec

a. Department of Chemistry, Faculty of Science, Ankara University, Tandoğan, Ankara 06100, Turkey b ... Nuran Asmafılız et al. 364 ...... W, Weynand U, Gschwind R M and Niecke E 2006. Angew. .... Cremer D and Pople J A 1975 J. Am. Chem.

Evaluation of Chemical Representations in Physical Chemistry Textbooks

Science.gov (United States)

Nyachwaya, James M.; Wood, Nathan B.

2014-01-01

That different levels of representation are important for complete understanding of chemistry is an accepted fact in the chemistry education community. This study sought to uncover types of representations used in given physical chemistry textbooks. Textbooks play a central role in the teaching and learning of science (chemistry), and in some…

78 FR 4464 - Proposal Review Panel for Chemistry; Notice of Meeting

Science.gov (United States)

2013-01-22

... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Chemistry; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463, as amended), the National Science Foundation... Chemistry, Room 1055, National Science Foundation, 4201 Wilson Boulevard, Arlington, VA 22230, (703) 292...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

2. Jiangsu Key Laboratory for Chemistry of Low-dimensional Materials, School of Chemistry and Chemical Engineering, Huaiyin Normal University, Huai'an 223300, P R China; Department of Chemistry, Science College, Yanbian University, ...

Evaluation of Biogenic and Fire Emissions in a Global Chemistry Model with NOMADSS, DC3 and SEAC4RS observations

Science.gov (United States)

Emmons, L. K.; Wiedinmyer, C.; Park, M.; Kaser, L.; Apel, E. C.; Guenther, A. B.

2014-12-01

Numerous measurements of compounds produced by biogenic and fire emissions were made during several recent field campaigns in the southeast United States, providing a unique data set for emissions and chemical model evaluation. The NCAR Community Atmosphere Model with Chemistry (CAM-chem) is coupled to the Community Land Model (CLM), which includes the biogenic emissions model MEGAN-v2.1, allowing for online calculation of emissions from vegetation for 150 compounds. Simulations of CAM-chem for summers 2012 and 2013 are evaluated with the aircraft and ground-based observations from DC3, NOMADSS and SEAC4RS. Comparison of directly emitted biogenic species, such as isoprene, terpenes, methanol and acetone, are used to evaluate the MEGAN emissions. Evaluation of oxidation products, including methyl vinyl ketone (MVK), methacrolein, formaldehyde, and other oxygenated VOCs are used to test the model chemistry mechanism. In addition, several biomass burning inventories are used in the model, including FINN, QFED, and FLAMBE, and are compared for their impact on atmospheric composition and ozone production, and evaluated with the aircraft observations.

An Investigation of Zimbabwe High School Chemistry Students' Laboratory Work-Based Images of the Nature of Science

Science.gov (United States)

Vhurumuku, Elaosi; Holtman, Lorna; Mikalsen, Oyvind; Kolsto, Stein D.

2006-01-01

This study investigates the proximal and distal images of the nature of science (NOS) that A-level students develop from their participation in chemistry laboratory work. We also explored the nature of the interactions among the students' proximal and distal images of the NOS and students' participation in laboratory work. Students' views of the…

ChemCalc: a building block for tomorrow's chemical infrastructure.

Science.gov (United States)

Patiny, Luc; Borel, Alain

2013-05-24

Web services, as an aspect of cloud computing, are becoming an important part of the general IT infrastructure, and scientific computing is no exception to this trend. We propose a simple approach to develop chemical Web services, through which servers could expose the essential data manipulation functionality that students and researchers need for chemical calculations. These services return their results as JSON (JavaScript Object Notation) objects, which facilitates their use for Web applications. The ChemCalc project http://www.chemcalc.org demonstrates this approach: we present three Web services related with mass spectrometry, namely isotopic distribution simulation, peptide fragmentation simulation, and molecular formula determination. We also developed a complete Web application based on these three Web services, taking advantage of modern HTML5 and JavaScript libraries (ChemDoodle and jQuery).

Mathcad in the Chemistry Curriculum Symbolic Software in the Chemistry Curriculum

Science.gov (United States)

Zielinski, Theresa Julia

2000-05-01

collection of peer-reviewed documents is developing through this column at the JCE Internet Web site, http://jchemed.chem.wisc.edu/JCEWWW/Features/ McadInChem/index.html. With this column we add three peer-reviewed and tested Mathcad documents to the JCE site. In Linear Least-Squares Regression, Sidney H. Young and Andrzej Wierzbicki demonstrate various implicit and explicit methods for determining the slope and intercept of the regression line for experimental data. The document shows how to determine the standard deviation for the slope, the intercept, and the standard deviation of the overall fit. Students are next given the opportunity to examine the confidence level for the fit through the Student's t-test. Examination of the residuals of the fit leads students to explore the possibility of rejecting points in a set of data. The document concludes with a discussion of and practice with adding a quadratic term to create a polynomial fit to a set of data and how to determine if the quadratic term is statistically significant. There is full documentation of the various steps used throughout the exposition of the statistical concepts. Although the statistical methods presented in this worksheet are generally accessible to average physical chemistry students, an instructor would be needed to explain the finer points of the matrix methods used in some sections of the worksheet. The worksheet is accompanied by a set of data for students to use to practice the techniques presented. It would be worthwhile for students to spend one or two laboratory periods learning to use the concepts presented and then to apply them to experimental data they have collected for themselves. Any linear or linearizable data set would be appropriate for use with this Mathcad worksheet. Alternatively, instructors may select sections of the document suited to the skill level of their students and the laboratory tasks at hand. In a second Mathcad document, Non-Linear Least-Squares Regression, Young and

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

... Area of Analytical Chemistry, Faculty of Experimental Sciences, University of Huelva, Agrifood Campus of International Excellence, ceiA3. Avd. Tres de Marzo S/N, 21007 Huelva, Spain; Department of Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical Sciences, University of Chile, P.O. Box 233, ...

Opportunities in chemistry and materials science for topological insulators and their nanostructures

KAUST Repository

Kong, Desheng

2011-10-24

Electrical charges on the boundaries of topological insulators favour forward motion over back-scattering at impurities, producing low-dissipation, metallic states that exist up to room temperature in ambient conditions. These states have the promise to impact a broad range of applications from electronics to the production of energy, which is one reason why topological insulators have become the rising star in condensed-matter physics. There are many challenges in the processing of these exotic materials to use the metallic states in functional devices, and they present great opportunities for the chemistry and materials science research communities. © 2011 Macmillan Publishers Limited. All rights reserved.

Modelling Poly-Aromatic Hydrocarbons "online" with the GEOS-Chem Europe and Asia regional models.

Science.gov (United States)

Ivatt, P.; Evans, M. J.

2017-12-01

Poly-Aromatic Hydrocarbons (PAHs) are carcinogens and so are restricted by international treaties. PAHs are mainly emitted into the atmosphere by domestic (heating and cooking), natural (forest fires burning), as well as some industrial processes (coke ovens). PAHs partition between the gas and particle phase (notably carbonaceous particles) based on their volatility. In recent years, interest has turned to the possible health effects of their oxidation products (both nitrogenated and oxygenated) as it has been suggested that these oxidation products may be even more carcinogenic than the parent PAHs. To increase our understanding of the processes controlling the regional concentrations of PAHs and their oxidation products an "online" PAH model has been developed within the GEOS-Chem framework. This provides for the representation of the coupled aerosol/gas phase chemistry of the parent PAH and its secondary oxidation products. Benzo[a]pyrene is used as an exemplar but the methodology is flexible and the approach can be used for any PAH species. Comparisons are made with observations and the sources of variability discussed.

Accounting for model error in air quality forecasts: an application of 4DEnVar to the assimilation of atmospheric composition using QG-Chem 1.0

Directory of Open Access Journals (Sweden)

E. Emili

2016-11-01

Full Text Available Model errors play a significant role in air quality forecasts. Accounting for them in the data assimilation (DA procedures is decisive to obtain improved forecasts. We address this issue using a reduced-order coupled chemistry–meteorology model based on quasi-geostrophic dynamics and a detailed tropospheric chemistry mechanism, which we name QG-Chem. This model has been coupled to the software library for the data assimilation Object Oriented Prediction System (OOPS and used to assess the potential of the 4DEnVar algorithm for air quality analyses and forecasts. The assets of 4DEnVar include the possibility to deal with multivariate aspects of atmospheric chemistry and to account for model errors of a generic type. A simple diagnostic procedure for detecting model errors is proposed, based on the 4DEnVar analysis and one additional model forecast. A large number of idealized data assimilation experiments are shown for several chemical species of relevance for air quality forecasts (O3, NOx, CO and CO2 with very different atmospheric lifetimes and chemical couplings. Experiments are done both under a perfect model hypothesis and including model error through perturbation of surface chemical emissions. Some key elements of the 4DEnVar algorithm such as the ensemble size and localization are also discussed. A comparison with results of 3D-Var, widely used in operational centers, shows that, for some species, analysis and next-day forecast errors can be halved when model error is taken into account. This result was obtained using a small ensemble size, which remains affordable for most operational centers. We conclude that 4DEnVar has a promising potential for operational air quality models. We finally highlight areas that deserve further research for applying 4DEnVar to large-scale chemistry models, i.e., localization techniques, propagation of analysis covariance between DA cycles and treatment for chemical nonlinearities. QG-Chem can provide a

Operational on-line coupled chemical weather forecasts for Europe with WRF/Chem

Science.gov (United States)

Hirtl, Marcus; Mantovani, Simone; Krüger, Bernd C.; Flandorfer, Claudia; Langer, Matthias

2014-05-01

Air quality is a key element for the well-being and quality of life of European citizens. Air pollution measurements and modeling tools are essential for the assessment of air quality according to EU legislation. The responsibilities of ZAMG as the national weather service of Austria include the support of the federal states and the public in questions connected to the protection of the environment in the frame of advisory and counseling services as well as expert opinions. ZAMG conducts daily Air-Quality forecasts using the on-line coupled model WRF/Chem. Meteorology is simulated simultaneously with the emissions, turbulent mixing, transport, transformation, and fate of trace gases and aerosols. The emphasis of the application is on predicting pollutants over Austria. Two domains are used for the simulations: the mother domain covers Europe with a resolution of 12 km, the inner domain includes the alpine region with a horizontal resolution of 4 km; 45 model levels are used in the vertical direction. The model runs 2 times per day for a period of 72 hours and is initialized with ECMWF forecasts. On-line coupled models allow considering two-way interactions between different atmospheric processes including chemistry (both gases and aerosols), clouds, radiation, boundary layer, emissions, meteorology and climate. In the operational set-up direct-, indirect and semi-direct effects between meteorology and air chemistry are enabled. The model is running on the HPCF (High Performance Computing Facility) of the ZAMG. In the current set-up 1248 CPUs are used. As the simulations need a big amount of computing resources, a method to safe I/O-time was implemented. Every MPI task writes all its output into the shared memory filesystem of the compute nodes. Once the WRF/Chem integration is finished, all split NetCDF-files are merged and saved on the global file system. The merge-routine is based on parallel-NetCDF. With this method the model runs about 30% faster on the SGI

In Situ Strategy of the 2011 Mars Science Laboratory to Investigate the Habitability of Ancient Mars

Science.gov (United States)

Mahaffy, Paul R.

2011-01-01

The ten science investigations of the 2011 Mars Science Laboratory (MSL) Rover named "Curiosity" seek to provide a quantitative assessment of habitability through chemical and geological measurements from a highly capable robotic' platform. This mission seeks to understand if the conditions for life on ancient Mars are preserved in the near-surface geochemical record. These substantial payload resources enabled by MSL's new entry descent and landing (EDL) system have allowed the inclusion of instrument types nevv to the Mars surface including those that can accept delivered sample from rocks and soils and perform a wide range of chemical, isotopic, and mineralogical analyses. The Chemistry and Mineralogy (CheMin) experiment that is located in the interior of the rover is a powder x-ray Diffraction (XRD) and X-ray Fluorescence (XRF) instrument that provides elemental and mineralogical information. The Sample Analysis at Mars (SAM) suite of instruments complements this experiment by analyzing the volatile component of identically processed samples and by analyzing atmospheric composition. Other MSL payload tools such as the Mast Camera (Mastcam) and the Chemistry & Camera (ChemCam) instruments are utilized to identify targets for interrogation first by the arm tools and subsequent ingestion into SAM and CheMin using the Sample Acquisition, Processing, and Handling (SA/SPaH) subsystem. The arm tools include the Mars Hand Lens Imager (MAHLI) and the Chemistry and Alpha Particle X-ray Spectrometer (APXX). The Dynamic Albedo of Neutrons (DAN) instrument provides subsurface identification of hydrogen such as that contained in hydrated minerals

Nuclear analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Brune, D.; Forkman, B.; Persson, B.

1984-01-01

This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

Nuclear analytical chemistry

International Nuclear Information System (INIS)

Brune, D.; Forkman, B.; Persson, B.

1984-01-01

This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection

Fundamental and Applied Bioorganometallic Chemistry of Technetium and Rhenium

International Nuclear Information System (INIS)

Alberto, R.; Braband, H.; Benz, M.; Can, D.; Imstepf, S.; Felber, M.; Spingler, B.

2016-01-01

Site directed accumulation is the base for therapy and imaging with inorganic medicinal compounds. To match selectively the structural properties of receptors, the topology of targeting complexes must be flexible and easily adaptable. For in vivo application, kinetic stability is desirable and in an advanced design, the complex itself can become part of the structure to be recognized by the receptor (3D structural space occupation concept).1 To match these requirements, we introduced the fac-{99mTcI(CO)3}+ building block many years ago. Many different complexes with this core were subjected to targeting studies and the organometallic chemistry of Tc developed rapidly beyond designs for molecular imaging. Some prominent examples will give insight into their structures and activities for molecular imaging. For complementing the fac-{99mTcI(CO)3}+ tag, we switched from low- to high-valent complexes. The isolobal fac-{99mTcVII(O)3}+ building block was introduced.2 Preparation of TcVII complexes is an example about how research is translated to routinely applicable conditions. For proceeding towards theranostics, homologous complexes with Re for therapy and with 99mTc complexes for imaging are mandatory. A new synthetic approach enabled the preparation of cyclopentadienyl complexes of both elements and based on pharmaceutically active lead structures.3 Newly introduced bis-arene complexes scopes at using these structures in analogy to ferrocene.4 The presentation exemplifies how questions from, ultimately practical, application lead to basic developments. Unexpected results in turn influence the discovery of new imaging and therapeutic agents.5 (1) Meggers, E. Curr. Opin. Chem. Biol. 2007, 11, 287. (2) Braband, H.; Tooyama, Y.; Fox, T.; Alberto, R. Chem. Eur. J. 2009, 15, 633. (3) Can, D.; Spingler, B.; Schmutz, P.; Mendes, F.; Raposinho, P.; Fernandes, C.; Carta, F.; Innocenti, A.; Santos, I.; Supuran, C. T.; Alberto, R. Angew. Chem. Int. Edit. 2012, 51, 3354. (4) Benz

The physical chemistry and materials science behind sinter-resistant catalysts.

Science.gov (United States)

Dai, Yunqian; Lu, Ping; Cao, Zhenming; Campbell, Charles T; Xia, Younan

2018-06-18

Catalyst sintering, a main cause of the loss of catalytic activity and/or selectivity at high reaction temperatures, is a major concern and grand challenge in the general area of heterogeneous catalysis. Although all heterogeneous catalysts are inevitably subjected to sintering during their operation, the immediate and drastic consequences can be mitigated by carefully engineering the catalytic particles and their interactions with the supports. In this tutorial review, we highlight recent progress in understanding the physical chemistry and materials science involved in sintering, including the discussion of advanced techniques, such as in situ microscopy and spectroscopy, for investigating the sintering process and its rate. We also discuss strategies for the design and rational fabrication of sinter-resistant catalysts. Finally, we showcase recent success in improving the thermal stability and thus sinter resistance of supported catalytic systems.

Is ozone model bias driven by errors in cloud predictions? A quantitative assessment using satellite cloud retrievals in WRF-Chem

Science.gov (United States)

Ryu, Y. H.; Hodzic, A.; Barré, J.; Descombes, G.; Minnis, P.

2017-12-01

Clouds play a key role in radiation and hence O3 photochemistry by modulating photolysis rates and light-dependent emissions of biogenic volatile organic compounds (BVOCs). It is not well known, however, how much of the bias in O3 predictions is caused by inaccurate cloud predictions. This study quantifies the errors in surface O3 predictions associated with clouds in summertime over CONUS using the Weather Research and Forecasting with Chemistry (WRF-Chem) model. Cloud fields used for photochemistry are corrected based on satellite cloud retrievals in sensitivity simulations. It is found that the WRF-Chem model is able to detect about 60% of clouds in the right locations and generally underpredicts cloud optical depths. The errors in hourly O3 due to the errors in cloud predictions can be up to 60 ppb. On average in summertime over CONUS, the errors in 8-h average O3 of 1-6 ppb are found to be attributable to those in cloud predictions under cloudy sky conditions. The contribution of changes in photolysis rates due to clouds is found to be larger ( 80 % on average) than that of light-dependent BVOC emissions. The effects of cloud corrections on O­3 are about 2 times larger in VOC-limited than NOx-limited regimes, suggesting that the benefits of accurate cloud predictions would be greater in VOC-limited than NOx-limited regimes.

Medical Mycology and the Chemistry Classroom: Germinating Student Interest in Organic Chemistry

Science.gov (United States)

Bliss, Joseph M.; Reid, Christopher W.

2013-01-01

Efforts to provide active research context to introductory courses in basic sciences are likely to better engage learners and provide a framework for relevant concepts. A simple teaching and learning experiment was conducted to use concepts in organic chemistry to solve problems in the life sciences. Bryant University is a liberal arts university…

Predicting continued participation in college chemistry for men and women

Science.gov (United States)

Deboer, George E.

The purpose of this study was to test the effectiveness of a cognitive motivational model of course selection patterns to explain the continued participation of men and women in college science courses. A number of cognitive motivational constructs were analyzed in a path model and their effect on students' intention to continue in college chemistry was determined. Variables in the model included self-perceived ability in science, future expectations, level of past success, effort expended, subjective interpretations of both past success and task difficulty, and the intention to continue in college chemistry.The results showed no sex differences in course performance, the plan to continue in chemistry, perceived ability in science, or past achievement in science courses. The path analysis did confirm the usefulness of the cognitive motivational perspective to explain the intention of both men and women to continue in science. Central to that process appears to be a person's belief about their ability. Students who had confidence in their ability in chemistry expected to do well in the future and were more likely to take more chemistry. Ability ratings in turn were dependent on a number of past achievement experiences and the personal interpretation of those experiences.

XIX Mendeleev Congress on general and applied chemistry. Abstract book in 4 volumes. Volume 4. Chemistry aspects of modern energy and alternative energy resources. Chemistry of fossil and renewable hydrocarbon raw materials. Analytical chemistry: novel methods and devices for chemical research and analysis. Chemical education

International Nuclear Information System (INIS)

2011-01-01

The abstracts of the XIX Mendeleev Congress on general and applied chemistry held 25-30 September 2011 in Volgograd are presented. The program includes the Congress plenary and section reports, poster presentations, symposia and round tables on key areas of chemical science and technology, and chemical education. The work of the Congress was held the following sections: 1. Fundamental problems of chemical sciences; 2. Chemistry and technology of materials, including nanomaterials; 3. Physicochemical basis of metallurgical processes; 4. Current issues of chemical production, technical risk assessment; 5. Chemical aspects of modern power and alternative energy sources; 6. Chemistry of fossil and renewable hydrocarbons; 7. Analytical chemistry: new methods and instruments for chemical research and analysis; 8. Chemical education. Volume 4 includes abstracts of oral and poster presentations and presentations of correspondent participants of the sections: Chemistry aspects of modern energy and alternative energy resources; Chemistry of fossil and renewable hydrocarbon raw materials; Analytical chemistry: novel methods and devices for chemical research and analysis; Chemical education, and author index [ru

The potassic sedimentary rocks in Gale Crater, Mars, as seen by ChemCam Onboard Curiosity

Science.gov (United States)

Le Deit, Laetitia; Mangold, Nicolas; Forni, Olivier; Cousin, Agnes; Lasue, Jeremie; Schröder, Susanne; Wiens, Roger C.; Sumner, Dawn Y.; Fabre, Cecile; Stack, Katherine M.; Anderson, Ryan; Blaney, Diana L.; Clegg, Samuel M.; Dromart, Gilles; Fisk, Martin; Gasnault, Olivier; Grotzinger, John P.; Gupta, Sanjeev; Lanza, Nina; Le Mouélic, Stephane; Maurice, Sylvestre; McLennan, Scott M.; Meslin, Pierre-Yves; Nachon, Marion; Newsom, Horton E.; Payre, Valerie; Rapin, William; Rice, Melissa; Sautter, Violaine; Treiman, Alan H.

2016-01-01

The Mars Science Laboratory rover Curiosity encountered potassium-rich clastic sedimentary rocks at two sites in Gale Crater, the waypoints Cooperstown and Kimberley. These rocks include several distinct meters thick sedimentary outcrops ranging from fine sandstone to conglomerate, interpreted to record an ancient fluvial or fluvio-deltaic depositional system. From ChemCam Laser-Induced Breakdown Spectroscopy (LIBS) chemical analyses, this suite of sedimentary rocks has an overall mean K2O abundance that is more than 5 times higher than that of the average Martian crust. The combined analysis of ChemCam data with stratigraphic and geographic locations reveals that the mean K2O abundance increases upward through the stratigraphic section. Chemical analyses across each unit can be represented as mixtures of several distinct chemical components, i.e., mineral phases, including K-bearing minerals, mafic silicates, Fe-oxides, and Fe-hydroxide/oxyhydroxides. Possible K-bearing minerals include alkali feldspar (including anorthoclase and sanidine) and K-bearing phyllosilicate such as illite. Mixtures of different source rocks, including a potassium-rich rock located on the rim and walls of Gale Crater, are the likely origin of observed chemical variations within each unit. Physical sorting may have also played a role in the enrichment in K in the Kimberley formation. The occurrence of these potassic sedimentary rocks provides additional evidence for the chemical diversity of the crust exposed at Gale Crater.

Organic Chemistry Masterclasses

Indian Academy of Sciences (India)

of Science Education that is published monthly by the Academy since January 1996. ...... Modern chemistry is also emerging from molecules derived from the .... photochemical reactions, the traditional correlation diagram approach is more ...

Modern Trends in Inorganic Chemistry

Indian Academy of Sciences (India)

Administrator

The series of symposia on 'Modern Trends in Inorganic Chemistry' (MTIC), which began in 1985 at the Indian Association for Cultivation of Science, Calcutta has evolved into a forum for the Inorganic Chemistry fraternity of the country to meet every two years and discuss the current status and future projections of research in.

Chemistry Division annual progress report for period ending April 30, 1993

Energy Technology Data Exchange (ETDEWEB)

Poutsma, M.L.; Ferris, L.M.; Mesmer, R.E.

1993-08-01

The Chemistry Division conducts basic and applied chemical research on projects important to DOE`s missions in sciences, energy technologies, advanced materials, and waste management/environmental restoration; it also conducts complementary research for other sponsors. The research are arranged according to: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, chemistry of advanced inorganic materials, structure and dynamics of advanced polymeric materials, chemistry of transuranium elements and compounds, chemical and structural principles in solvent extraction, surface science related to heterogeneous catalysis, photolytic transformations of hazardous organics, DNA sequencing and mapping, and special topics.

Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

Science.gov (United States)

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

2018-06-13

An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

The Nuclear and Radiochemistry in Chemistry Education Curriculum Project

International Nuclear Information System (INIS)

Robertson, J.D.; Missouri University, Columbia, MO; Kleppinger, E.W.

2005-01-01

Given the mismatch between supply of and demand for nuclear scientists, education in nuclear and radiochemistry has become a serious concern. The Nuclear and Radiochemistry in Chemistry Education (NRIChEd) Curriculum Project was undertaken to reintroduce the topics normally covered in a one-semester radiochemistry course into the traditional courses of a four-year chemistry major: general chemistry, organic chemistry, quantitative and instrumental analysis, and physical chemistry. NRIChEd uses a three-pronged approach that incorporates radiochemistry topics when related topics in the basic courses are covered, presents special topics of general interest as a vehicle for teaching nuclear and radiochemistry alongside traditional chemistry, and incorporates the use of non-licensed amounts of radioactive substances in demonstrations and student laboratory experiments. This approach seeks not only to reestablish nuclear science in the chemistry curriculum, but to use it as a tool for elucidating fundamental and applied aspects of chemistry as well. Moreover, because of its relevance in many academic areas, nuclear science enriches the chemistry curriculum by encouraging interdisciplinary thinking and problem solving. (author)

Investigating Students' Similarity Judgments in Organic Chemistry

Science.gov (United States)

Graulich, N.; Bhattacharyya, G.

2017-01-01

Organic chemistry is possibly the most visual science of all chemistry disciplines. The process of scientific inquiry in organic chemistry relies on external representations, such as Lewis structures, mechanisms, and electron arrows. Information about chemical properties or driving forces of mechanistic steps is not available through direct…

Affordances of Instrumentation in General Chemistry Laboratories

Science.gov (United States)

Sherman, Kristin Mary Daniels

2010-01-01

The purpose of this study is to find out what students in the first chemistry course at the undergraduate level (general chemistry for science majors) know about the affordances of instrumentation used in the general chemistry laboratory and how their knowledge develops over time. Overall, students see the PASCO(TM) system as a useful and accurate…

Supramolecular chemistry - interdisciplinary branch of science

International Nuclear Information System (INIS)

Radecka-Paryzek, W.

1997-01-01

The scientific problems connected with supramolecular chemistry have been reviewed. The basic concepts have been defined as well as rules governed of macromolecules formation. The special emphasize has been put on present and possible in future application of such systems

Whither Constructivism?--A Chemistry Teachers' Perspective

Science.gov (United States)

Niaz, Mansoor

2008-01-01

Constructivism in science education has been the subject of considerable debate in the science education literature. The purpose of this study was to facilitate chemistry teachers' understanding that the tentative nature of scientific knowledge leads to the coexistence and rivalries among different forms of constructivism in science education. The…

Effectiveness of Case-Based Learning Instruction on Pre-Service Teachers' Chemistry Motivation and Attitudes toward Chemistry

Science.gov (United States)

Çam, Aylin; Geban, Ömer

2017-01-01

Background: The development of primary pre-service teachers' chemistry motivation and attitudes toward chemistry were examined in order to develop their science literacy using case-based learning. Students' ideas were emphasized, real-life situations were discussed, and students could share their ideas and knowledge with peers; as a result,…

CASSINI S MIMI CHEMS SENSOR CALIBRATED DATA V1.0

Data.gov (United States)

National Aeronautics and Space Administration — The Cassini Magnetospheric Imaging Instrument(MIMI) Charge Energy Mass Spectrometer (CHEMS) contains a deflection system and an overall field of view of 159 x 4 deg....

Theoretical modeling and analysis of the emission spectra of a ChemCam standard: Basalt BIR-1A

Energy Technology Data Exchange (ETDEWEB)

Colgan, J. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Judge, E.J. [Chemical Diagnostics and Engineering, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Johns, H.M.; Kilcrease, D.P. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Barefield, J.E. [Chemical Diagnostics and Engineering, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); McInroy, R. [Physical Chemistry and Applied Spectroscopy, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hakel, P. [Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wiens, R.C. [Space and Remote Sensing Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Clegg, S.M. [Physical Chemistry and Applied Spectroscopy, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2015-08-01

We report on efforts to perform theoretical modeling of the emission spectrum measured from a basalt sample. We compare our calculations with measurements that were made to provide standards for the ChemCam instrument on the Mars Science Laboratory. We find that to obtain good agreement between modeling and the measurement, it is necessary to determine atomic and ionic level populations via a multi-element approach in which the free electron density that is created influences all the species within the plasma. Calculations that consider each element separately are found to be in poorer agreement with the measured spectrum, indicating that the ‘matrix effect’ term often used to describe the influence of other species on the emission spectrum from a given element is due to the influence of the global electron density of the plasma. We explore the emission features in both the visible and near-infrared wavelength ranges, and also examine radiation transport effects for some of the most intense features found in the basalt spectrum. Finally, we also provide comparisons of the ChemCam measurement with new high-resolution spectral measurements. - Highlights: • LIBS basalt spectrum • Ab-initio theoretical modeling • Discussion of matrix effects • Discussion of radiation transport effects • High-resolution measurements of Basalt.

Tropospheric Bromine Chemistry: Implications for Present and Pre-industrial Ozone and Mercury

Science.gov (United States)

Parella, J. P.; Jacob, D. J.; Liang, Q.; Zhang, Y.; Mickley, L. J.; Miller, B.; Evans, M. J.; Yang, X.; Pyle, J. A.; Theys, N.;

Sensitivity of simulated convection-driven stratosphere-troposphere exchange in WRF-Chem to the choice of physical and chemical parameterization

Science.gov (United States)

Phoenix, Daniel B.; Homeyer, Cameron R.; Barth, Mary C.

2017-08-01

Tropopause-penetrating convection is capable of rapidly transporting air from the lower troposphere to the upper troposphere and lower stratosphere (UTLS), where it can have important impacts on chemistry, the radiative budget, and climate. However, obtaining in situ measurements of convection and convective transport is difficult and such observations are historically rare. Modeling studies, on the other hand, offer the advantage of providing output related to the physical, dynamical, and chemical characteristics of storms and their environments at fine spatial and temporal scales. Since these characteristics of simulated convection depend on the chosen model design, we examine the sensitivity of simulated convective transport to the choice of physical (bulk microphysics or BMP and planetary boundary layer or PBL) and chemical parameterizations in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem). In particular, we simulate multiple cases where in situ observations are available from the recent (2012) Deep Convective Clouds and Chemistry (DC3) experiment. Model output is evaluated using ground-based radar observations of each storm and in situ trace gas observations from two aircraft operated during the DC3 experiment. Model results show measurable sensitivity of the physical characteristics of a storm and the transport of water vapor and additional trace gases into the UTLS to the choice of BMP. The physical characteristics of the storm and transport of insoluble trace gases are largely insensitive to the choice of PBL scheme and chemical mechanism, though several soluble trace gases (e.g., SO2, CH2O, and HNO3) exhibit some measurable sensitivity.

Humanizing Chemistry Education: From Simple Contextualization to Multifaceted Problematization

Science.gov (United States)

Sjöström, Jesper; Talanquer, Vicente

2014-01-01

Chemistry teaching has traditionally been weakly connected to everyday life, technology, society, and history and philosophy of science. This article highlights knowledge areas and perspectives needed by the humanistic (and critical-reflexive) chemistry teacher. Different humanistic approaches in chemistry teaching, from simple contextualization…

A Case-Based Scenario with Interdisciplinary Guided-Inquiry in Chemistry and Biology: Experiences of First Year Forensic Science Students

Science.gov (United States)

Cresswell, Sarah L.; Loughlin, Wendy A.

2017-01-01

In this paper, insight into forensic science students' experiences of a case-based scenario with an interdisciplinary guided-inquiry experience in chemistry and biology is presented. Evaluation of student experiences and interest showed that the students were engaged with all aspects of the case-based scenario, including the curriculum theory…

Defining Integrated Science Education and Putting It to Test

OpenAIRE

Åström, Maria

2008-01-01

The thesis is made up by four studies, on the comprehensive theme of integrated and subject-specific science education in Swedish compulsory school. A literature study on the matter is followed by an expert survey, then a case study and ending with two analyses of students' science results from PISA 2003 and PISA 2006. The first two studies explore similarities and differences between integrated and subject-specific science education, i.e. Science education and science taught as Biology, Chem...

Electrostatics in Chemistry

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 7. Electrostatics in Chemistry - Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 7 July 1999 pp 14-23 ...

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.

Advisory Council on College Chemistry Newsletter Number 16.

Science.gov (United States)

Advisory Council on Coll. Chemistry.

Discussed are the goals of the Advisory Council on College Chemistry and the effect on College Chemistry of termination of National Science Foundation funding. Reported are conferences on (1) the relevance of thermodynamics to chemists and engineers and its place in a chemistry curriculum, (2) new approaches to teaching thermodynamics in an…

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.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 5 ... achieved by threecomponent condensation of corresponding ketones and aldehydes, ... Laboratory of Organic Chemistry Research, Department of Organic Chemistry, ...

Polymeric Medical Sutures: An Exploration of Polymers and Green Chemistry

Science.gov (United States)

Knutson, Cassandra M.; Schneiderman, Deborah K.; Yu, Ming; Javner, Cassidy H.; Distefano, Mark D.; Wissinger, Jane E.

2017-01-01

With new K-12 national science standards emerging, there is an increased need for experiments that integrate engineering into the context of society. Here we describe a chemistry experiment that combines science and engineering principles while introducing basic polymer and green chemistry concepts. Using medical sutures as a platform for…

Gender Differences in Cognitive and Noncognitive Factors Related to Achievement in Organic Chemistry

Science.gov (United States)

Turner, Ronna C.; Lindsay, Harriet A.

2003-05-01

For many college students in the sciences, organic chemistry poses a difficult challenge. Indeed, success in organic chemistry has proven pivotal in the careers of a vast number of students in a variety of science disciplines. A better understanding of the factors that contribute to achievement in this course should contribute to efforts to increase the number of students in the science disciplines. Further, an awareness of gender differences in factors associated with achievement should aid efforts to bolster the participation of women in chemistry and related disciplines. Using a correlation research design, the individual relationships between organic chemistry achievement and each of several cognitive variables and noncognitive variables were assessed. In addition, the relationships between organic chemistry achievement and combinations of these independent variables were explored. Finally, gender- and instructor-related differences in the relationships between organic chemistry achievement and the independent variables were investigated. Cognitive variables included the second-semester general chemistry grade, the ACT English, math, reading, and science-reasoning scores, and scores from a spatial visualization test. Noncognitive variables included anxiety, confidence, effectance motivation, and usefulness. The second-semester general chemistry grade was found to be the best indicator of performance in organic chemistry, while the effectiveness of other predictors varied between instructors. In addition, gender differences were found in the explanations of organic chemistry achievement variance provided by this study. In general, males exhibited stronger correlations between predictor variables and organic chemistry achievement than females.

pH and temperature dual-sensitive liposome gel based on novel cleavable mPEG-Hz-CHEMS polymeric vaginal delivery system

Directory of Open Access Journals (Sweden)

Chen D

2012-05-01

Full Text Available Daquan Chen,1,2 Kaoxiang Sun,1,2 Hongjie Mu,1 Mingtan Tang,3 Rongcai Liang,1,2 Aiping Wang,1,2 Shasha Zhou,1 Haijun Sun,1 Feng Zhao,1 Jianwen Yao,1 Wanhui Liu1,21School of Pharmacy, Yantai University, 2State Key Laboratory of Longacting and Targeting Drug Delivery Systems, Yantai, 3School of Pharmaceutical Sciences, Shandong University, Jinan, People's Republic of ChinaBackground: In this study, a pH and temperature dual-sensitive liposome gel based on a novel cleavable hydrazone-based pH-sensitive methoxy polyethylene glycol 2000-hydrazone-cholesteryl hemisuccinate (mPEG-Hz-CHEMS polymer was used for vaginal administration.Methods: The pH-sensitive, cleavable mPEG-Hz-CHEMS was designed as a modified pH-sensitive liposome that would selectively degrade under locally acidic vaginal conditions. The novel pH-sensitive liposome was engineered to form a thermogel at body temperature and to degrade in an acidic environment.Results: A dual-sensitive liposome gel with a high encapsulation efficiency of arctigenin was formed and improved the solubility of arctigenin characterized by Fourier transform infrared spectroscopy and differential scanning calorimetry. The dual-sensitive liposome gel with a sol-gel transition at body temperature was degraded in a pH-dependent manner, and was stable for a long period of time at neutral and basic pH, but cleavable under acidic conditions (pH 5.0. Arctigenin encapsulated in a dual-sensitive liposome gel was more stable and less toxic than arctigenin loaded into pH-sensitive liposomes. In vitro drug release results indicated that dual-sensitive liposome gels showed constant release of arctigenin over 3 days, but showed sustained release of arctigenin in buffers at pH 7.4 and pH 9.0.Conclusion: This research has shed some light on a pH and temperature dual-sensitive liposome gel using a cleavable mPEG-Hz-CHEMS polymer for vaginal delivery.Keywords: mPEG-Hz-CHEMS polymer, pH-sensitive liposomes, thermosensitive

Modern Trends in Inorganic Chemistry (MTIC-XIII)

Indian Academy of Sciences (India)

MAC 10

Institute of Science, Bangalore during December 7–10, 2009. The MTIC series of ... The topics covered in this issue span a wide range from ... chemistry that reflect the current trends of research in inorganic chemistry in India. We thank the ...

NutriChem: a systems chemical biology resource to explore the medicinal value of plant-based foods

DEFF Research Database (Denmark)

Jensen, Kasper; Panagiotou, Gianni; Kouskoumvekaki, Irene

2015-01-01

million MEDLINE abstracts for information thatlinks plant-based foods with their small moleculecomponents and human disease phenotypes. Nu-triChem contains text-mined data for 18478 pairs of1772 plant-based foods and 7898 phytochemicals,and 6242 pairs of 1066 plant-based foods and 751diseases. In addition......,there is currently no exhaustive resource on thehealth benefits associated to specific dietary inter-ventions, or a resource covering the broad molecu-lar content of food. Here we present the first releaseof NutriChem, available athttp://cbs.dtu.dk/services/NutriChem-1.0, a database generated by text miningof 21...

Support for chemistry symposia at the 2011 American Association for the Advancement of Science meeting, February 17-21 2011

Energy Technology Data Exchange (ETDEWEB)

Casey, Charles [Univ. of Wisconsin, Madison, WI (United States)

2011-08-20

This proposal supported Chemistry Symposia at the 2011 American Association for the Advancement of Science (AAAS) Meeting in Washington, DC February 17-21, 2011. The Chemistry Section of AAAS presented an unusually strong set of symposia for the 2011 AAAS meeting to help celebrate the 2011 International Year of Chemistry. The AAAS meeting provided an unusual opportunity to convey the excitement and importance of chemistry to a very broad audience and allowed access to a large contingent of the scientific press. Excellent suggestions for symposia were received from AAAS Chemistry Fellows and from the chairs of the American Chemical Society Technical Divisions. The AAAS Chemistry executive committee selected topics that would have wide appeal to scientists, the public, and the press for formal proposals of symposia. The symposia proposals were peer reviewed by AAAS. The Chemistry Section made a strong case to the program selection committee for approval of the chemistry symposia and 6 were approved for the 2011 annual meeting. The titles of the approved symposia were: (1) Powering the Planet: Generation of Clean Fuels from Sunlight and Water, (2) Biological Role and Consequences of Intrinsic Protein Disorder, (3) Chemically Speaking: How Organisms Talk to Each Other, (4) Molecular Self-Assembly and Artificial Molecular Machines, (5) Frontiers in Organic Materials for Information Processing, Energy and Sensors, and (6) Celebrating Marie Curie's 100th Anniversary of Her Nobel Prize in Chemistry. The Chemistry Section of AAAS is provided with funds to support only 1-2 symposia a year. Because of the much greater number of symposia approved in conjunction with observance of the 2011 International Year of Chemistry, additional support was sought from DOE to help support the 30 invited speakers and 8 symposia moderators/organizers. Support for the symposia provided the opportunity to highlight the excitement of current chemical research, to educate the public about

The Contribution of Constructivist Instruction Accompanied by Concept Mapping in Enhancing Pre-Service Chemistry Teachers' Conceptual Understanding of Chemistry in the Laboratory Course

Science.gov (United States)

Aydin, Sevgi; Aydemir, Nurdane; Boz, Yezdan; Cetin-Dindar, Ayla; Bektas, Oktay

2009-01-01

The present study aimed to evaluate whether a chemistry laboratory course called "Laboratory Experiments in Science Education" based on constructivist instruction accompanied with concept mapping enhanced pre-service chemistry teachers' conceptual understanding. Data were collected from five pre-service chemistry teachers at a university…

New developments on ChemCam laser transmitter and potential applications for other planetology programs

Science.gov (United States)

Faure, Benoît; Durand, Eric; Maurice, Sylvestre; Bruneau, Didier; Montmessin, Franck

2017-11-01

ChemCam is a LIBS Instrument mounted on the MSL 2011 NASA mission. The laser transmitter of this Instrument has been developed by the French society Thales Optronique (former Thales Laser) with a strong technical support from CNES. The paper will first rapidly present the performance of this laser and will then describe the postChemCam developments realized on and around this laser for new planetology programs.

Twenty years of chemistry associated with the needs and utilization of nuclear reactors at the 'Boris Kidric' Institute of nuclear sciences, Vinca, Yugoslavia

International Nuclear Information System (INIS)

1969-01-01

This publication covers nine review papers on the following topics related to the needs and utilization of nuclear reactors in the Boris Kidric Institute of nuclear sciences during previous twenty years: radiochemistry, hot atom chemistry, isotope production, spent nuclear fuel reprocessing, chemistry of transuranium elements; liquid radioactive waste processing, purification of reactor coolant water by inorganic ion exchangers, research related to deuterium concentration processes, and chemical dosimetry at the RA reactor [sr

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

Quantum Chemistry; A concise introduction for students of physics, chemistry, biochemistry and materials science

Science.gov (United States)

Thakkar, Ajit J.

2017-09-01

This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference.

Preparing for a Global Scientific Workforce: Lessons Learned by the Chemistry Community

Science.gov (United States)

Baranovic, M.; Nameroff, T.

2005-12-01

Globalization has significant implications for science, science education, and the workforce. Flows of capital and knowledge are altering patterns of economic and technological development. Technology is allowing science to be conducted in real time on a global scale. International connections and mobility are increasing worldwide. At the same time science is becoming a truly global endeavor, the convergence of disciplines suggests that scientists from different backgrounds can learn from each other's experiences in addressing these challenges and opportunities. This presentation reviews some of the impacts of globalization on the chemically related sciences, students, and profession. As a result of globalization, today's practitioners of chemistry need an ever-expanding skill set to succeed. In addition to a strong command of the basic principles of chemistry, students and practitioners need to know how to work on multicultural teams, have knowledge of other languages, and be able to communicate effectively. The American Chemical Society (ACS) is coming to terms with and responding to changes in the nature of chemistry and its practice. This presentation will explore some of the innovative efforts of ACS to meet the challenges for chemistry in an era of globalization. The Earth and space sciences community may benefit from the chemistry community's "lessons learned."

The aqueous chemistry of oxides

CERN Document Server

Bunker, Bruce C

2016-01-01

The Aqueous Chemistry of Oxides is a comprehensive reference volume and special topics textbook that explores all of the major chemical reactions that take place between oxides and aqueous solutions. The book highlights the enormous impact that oxide-water reactions have in advanced technologies, materials science, geochemistry, and environmental science.

Molecular sciences

International Nuclear Information System (INIS)

Anon.

1975-01-01

The research in molecular sciences summarized includes photochemistry, radiation chemistry, geophysics, electromechanics, heavy-element oxidizers , heavy element chemistry collisions, atoms, organic solids. A list of publications is included

CHEM2D-OPP: A new linearized gas-phase ozone photochemistry parameterization for high-altitude NWP and climate models

Directory of Open Access Journals (Sweden)

J. P. McCormack

2006-01-01

Full Text Available The new CHEM2D-Ozone Photochemistry Parameterization (CHEM2D-OPP for high-altitude numerical weather prediction (NWP systems and climate models specifies the net ozone photochemical tendency and its sensitivity to changes in ozone mixing ratio, temperature and overhead ozone column based on calculations from the CHEM2D interactive middle atmospheric photochemical transport model. We evaluate CHEM2D-OPP performance using both short-term (6-day and long-term (1-year stratospheric ozone simulations with the prototype high-altitude NOGAPS-ALPHA forecast model. An inter-comparison of NOGAPS-ALPHA 6-day ozone hindcasts for 7 February 2005 with ozone photochemistry parameterizations currently used in operational NWP systems shows that CHEM2D-OPP yields the best overall agreement with both individual Aura Microwave Limb Sounder ozone profile measurements and independent hemispheric (10°–90° N ozone analysis fields. A 1-year free-running NOGAPS-ALPHA simulation using CHEM2D-OPP produces a realistic seasonal cycle in zonal mean ozone throughout the stratosphere. We find that the combination of a model cold temperature bias at high latitudes in winter and a warm bias in the CHEM2D-OPP temperature climatology can degrade the performance of the linearized ozone photochemistry parameterization over seasonal time scales despite the fact that the parameterized temperature dependence is weak in these regions.

Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement VIII, halogen species evaluation for atmospheric chemistry

International Nuclear Information System (INIS)

Atkinson, R.; Baulch, D.L.; Cox, R.A.; Hampson, R.F. Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J.

2000-01-01

This paper updates and extends part of the previous data base of critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992); 26, 521 (1997); 26, 1329 (1997); 28, 191 (1999)]. The present evaluation is limited to the inorganic halogen family of atmospherically important reactions. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 102 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each thermal reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. For each photochemical reaction the data sheets list the preferred values of the photoabsorption cross sections and the quantum yields of the photochemical reactions together with comments on how they were selected. The data sheets are intended to provide the basic physical chemical data needed as input for calculations that model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an appendix listing the available values of enthalpies of formation of the reactant and product species

Electrostatics in Chemistry

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 2. Electrostatics in Chemistry - Basic Principles. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 2 February 1999 pp 8-19. Fulltext. Click here to view fulltext PDF. Permanent link:

Reference Sources in Chemistry

OpenAIRE

Sthapit, Dilip Man

1995-01-01

Information plays an important role in the development of every field. Therefore a brief knowledge regarding information sources is necessary to function in any field. There are many information sources about scientific and technical subjects. In this context there are many reference sources in Chemistry too. Chemistry is one important part of the science which deals with the study of the composition of substances and the chemical changes that they undergo. The purpose of this report is...

A facile approach for the synthesis of indenoimidazole derivatives ...

Indian Academy of Sciences (India)

J. Chem. Sci. Vol. 128, No. 12, December 2016, pp. 1841–1847. c Indian Academy of Sciences. DOI 10.1007/s12039-016-1181-2. A facile approach for the synthesis of ... pounds 1 and 2 are presented here in terms of crystal engineering and supramolecular chemistry. ... zoles are heterocyclic organic compounds of wide.

24th Current Trends in Computational Chemistry

Science.gov (United States)

2017-05-17

Corps of Engineers Army Research Office Conference on Current Trends in Computational Chemistry 2016 NOVEMBER 11-12, 2016 JACKSON, MS... Chemistry and Biochemistry Jackson, MS 39217 U.S.A. Tel: 6019793723 E-mail: shonda@icnanotox.org Richard Alo Dean College of Science, Engineering ...Report: 24th Current Trends in Computational Chemistry The views, opinions and/or findings contained in this report are those of the author(s) and should

Use of combinatorial chemistry to speed drug discovery.

Science.gov (United States)

Rádl, S

1998-10-01

IBC's International Conference on Integrating Combinatorial Chemistry into the Discovery Pipeline was held September 14-15, 1998. The program started with a pre-conference workshop on High-Throughput Compound Characterization and Purification. The agenda of the main conference was divided into sessions of Synthesis, Automation and Unique Chemistries; Integrating Combinatorial Chemistry, Medicinal Chemistry and Screening; Combinatorial Chemistry Applications for Drug Discovery; and Information and Data Management. This meeting was an excellent opportunity to see how big pharma, biotech and service companies are addressing the current bottlenecks in combinatorial chemistry to speed drug discovery. (c) 1998 Prous Science. All rights reserved.

Chemistry in the Popular Culture: Mass Media, Music and Outreach Events

Directory of Open Access Journals (Sweden)

Jergović, B.

2011-01-01

Full Text Available Science is often identified with the discipline of chemistry particularly in the popular sphere and in visual culture. The image of science or its profile is created mainly in the mass media, but also in other spheres and in many different ways. Mass media are in the focus of many research groups, as the most frequent and efficient source of scientific information to the public. Science communication research is rather intense also in the attempt to understand the non-linear interaction with popular music and film. In addition, public activities of scientific institutions are being investigated, as well as the public image of science in projects where scientists are directly communicating with the general, lay audience. Notwithstanding, a link between research and the practice of science communication is non-existent. Public communication of science is more emerging than planned, there are many isolated actors and programs, and ‘hard’ sciences are not keen on using the social sciences’ knowledge and skills. In order to improve this situation, it is essential to understand how the public image of science is created, and how science interacts with its audiences. Here, the public image of science is discussed with regard to the news values and the new circumstances for mass communication, particularly the convergence of different media, which offers new possibilities for science in the public. An analysis of the media coverage of chemistry in the International Chemistry Year 2011 shows huge differences in the frequency and nature of the media coverage, particularly with regard to media convergence and the use of different media simultaneously. Outreach events are discussed in the light of the influence on their visitors. Since science communication is present in other spheres of popular culture, and in nonlinear top-down manner, we shortly discuss communication about chemistry in pop music in the attempt to suggest the need to communicate

Preparing Physics and Chemistry Teachers at the University of Arizona

Science.gov (United States)

Novodvorsky, Ingrid

2006-04-01

Beginning in 2000, science majors at the University of Arizona who wish to teach in middle or high schools have enrolled in the College of Science Teacher Preparation Program (CoS TPP). Students in the program take General Education courses, content courses, and science pedagogy courses that make them eligible for teacher certification. Students can remain in their science degree programs, and take the required science pedagogy courses, or they can enroll in a BS in Science Education degree that includes the pedagogy courses, with concentrations available in Biology, Chemistry, Earth Science, and Physics. Science educators from six different departments, two permanent Adjunct Instructors, and two Teachers in Residence teach the program's courses. (One of the Teachers in Residence is supported by the PhysTEC project.) Most of the pedagogy courses include field experiences in area science classrooms; the program works with some 115 mentor teachers from throughout the Tucson area, who host preservice teachers in their field experiences. In the first six years of the program, 14 program graduates have been chemistry and physics teachers. This compares to a total of six chemistry and physics teachers produced by the College of Education program in the four years preceding the creation of the CoS TPP. In this presentation, I will describe the unique features of the courses that prospective chemistry and physics teachers take and the field experiences in which they participate. In addition, I will describe how PhysTEC-supplied resources have been used to improve the program, and the ways in which we are assessing the program's success.

Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database

Directory of Open Access Journals (Sweden)

Mariusz Butkiewicz

2013-01-01

Full Text Available With the rapidly increasing availability of High-Throughput Screening (HTS data in the public domain, such as the PubChem database, methods for ligand-based computer-aided drug discovery (LB-CADD have the potential to accelerate and reduce the cost of probe development and drug discovery efforts in academia. We assemble nine data sets from realistic HTS campaigns representing major families of drug target proteins for benchmarking LB-CADD methods. Each data set is public domain through PubChem and carefully collated through confirmation screens validating active compounds. These data sets provide the foundation for benchmarking a new cheminformatics framework BCL::ChemInfo, which is freely available for non-commercial use. Quantitative structure activity relationship (QSAR models are built using Artificial Neural Networks (ANNs, Support Vector Machines (SVMs, Decision Trees (DTs, and Kohonen networks (KNs. Problem-specific descriptor optimization protocols are assessed including Sequential Feature Forward Selection (SFFS and various information content measures. Measures of predictive power and confidence are evaluated through cross-validation, and a consensus prediction scheme is tested that combines orthogonal machine learning algorithms into a single predictor. Enrichments ranging from 15 to 101 for a TPR cutoff of 25% are observed.

Nuclear Chemistry, exercises

International Nuclear Information System (INIS)

Savio, E.; Saucedo, E.

2002-01-01

Those exercises have as objective to introduce the student in the basic concepts of nuclear chemistry: a) way of decline b) balances of mass used in nuclear reactions c) how to calculate activities, activity concentrations and specific activity d) radiotracers use in biomedical sciences pharmaceutical

Analytical Chemistry Laboratory

Science.gov (United States)

Anderson, Mark

2013-01-01

The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.

Liaison activities with the Institute of Physical Chemistry/Russian Academy of Science Fiscal Year 1995

International Nuclear Information System (INIS)

Delegard, C.H.

1995-09-01

Investigations into the chemistry of alkaline Hanford Site tank waste (TTP RL4-3-20-04) were conducted in Fiscal Year 1995 at Westinghouse Hanford Company under the support of the Efficient Separations and Processing Crosscutting Program (EM-53). The investigation had two main subtasks: liaison with the Institute of Physical Chemistry of the Russian Academy of Science and further laboratory testing of the chemistry of thermal reconstitution of Hanford Site tank waste. Progress, which was achieved in the liaison subtask during Fiscal Year 1995, is summarized as follows: (1) A technical dialogue has been established with Institute scientists. (2) Editing was done on a technical literature review on the chemistry of transuranic elements and technetium in alkaline media written by researchers at the Institute. The report was issued in May 1995 as a Westinghouse Hanford Company document. (3) Four tasks from the Institute were selected for support by the U.S. Department of Energy. Work on three tasks commenced on 1 March 1995; the fourth task commenced on 1 April 1995. (4) Technical information describing the composition of Hanford Site tank waste was supplied to the Institute. (5) A program review of the four tasks was conducted at the Institute during a visit 25 August to 1 September, 1995. A lecture on the origin, composition, and proposed treatment of Hanford Site tank wastes was presented during this visit. Eight additional tasks were proposed by Institute scientists for support in Fiscal Year 1996. (6) A paper was presented at the Fifth International Conference on Radioactive Waste Management and Environmental Remediation (ICEM'95) in Berlin, Germany on 3 to 9 September, 1995 on the solubility of actinides in alkaline media

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

1 V Ferretti2. Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh 160 014, India; Center for Structural Diffractometry and Department of Chemical and Pharmaceutical Sciences, University of ...

A New Project-Based Lab for Undergraduate Environmental and Analytical Chemistry

Science.gov (United States)

Adami, Gianpiero

2006-01-01

A new project-based lab was developed for third year undergraduate chemistry students based on real world applications. The experience suggests that the total analytical procedure (TAP) project offers a stimulating alternative for delivering science skills and developing a greater interest for analytical chemistry and environmental sciences and…

Symposium on high temperature and materials chemistry

International Nuclear Information System (INIS)

1989-10-01

This volume contains the written proceedings of the Symposium on High Temperature and Materials Chemistry held in Berkeley, California on October 24--25, 1989. The Symposium was sponsored by the Materials and Chemical Sciences Division of Lawrence Berkeley Laboratory and by the College of Chemistry of the University of California at Berkeley to discuss directions, trends, and accomplishments in the field of high temperature and materials chemistry. Its purpose was to provide a snapshot of high temperature and materials chemistry and, in so doing, to define status and directions

Symposium on high temperature and materials chemistry

Energy Technology Data Exchange (ETDEWEB)

1989-10-01

This volume contains the written proceedings of the Symposium on High Temperature and Materials Chemistry held in Berkeley, California on October 24--25, 1989. The Symposium was sponsored by the Materials and Chemical Sciences Division of Lawrence Berkeley Laboratory and by the College of Chemistry of the University of California at Berkeley to discuss directions, trends, and accomplishments in the field of high temperature and materials chemistry. Its purpose was to provide a snapshot of high temperature and materials chemistry and, in so doing, to define status and directions.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Author Affiliations. Kajal Krishna Rajak1 Sankar Prasad Rath2. Department of Chemistry, Jadavpur University, Calcutta 700 032, India; Department of Inorganic Chemistry, Indian Association for the Cultivation of Science, Calcutta 700 032, India ...

BCTC for Windows: Abstract of Issue 9903W

Science.gov (United States)

Whisnant, David M.; McCormick, James A.

1999-05-01

. Literature Cited 1. Whisnant, D. M.; McCormick, J. A. BCTC for Windows; J. Chem. Educ. Software 1992, 5B2. 2. Whisnant, D. M. J. Chem. Educ. 1984, 61, 627-629. 3. Whisnant, D. M. J. Chem. Educ. 1992, 69, 42. 4. Camille and Henry Dreyfus Institute on the Chemistry of Water, 1990; Institute for Chemical Education Summer Workshops, University of Wisconsin-Madison, 1991. 5. Roberts, L. Science 1991, 251, 624-626; ibid, 254, 377. Keywords Computer Room; Simulation; High School; General; General Science; Environmental Chemistry; Chemistry and Society; Water Chemistry Hardware and Software Requirements for BCTC for Windows

IM-Chem: The Use of Instant Messaging to Improve Student Performance and Personalize Large Lecture General Chemistry Courses

Science.gov (United States)

Behmke, Derek A.; Atwood, Charles H.

2012-01-01

Previous research has linked poor student performance with the depersonalized feeling of large lecture courses. Various forms of enhanced communication have been tried that appear to enhance personalization in large courses. For general chemistry classes taught in a 365-seat lecture hall at the University of Georgia, we have attempted to enhance…

Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry.

Science.gov (United States)

Pecher, Lisa; Laref, Slimane; Raupach, Marc; Tonner, Ralf

2017-11-20

By using computational chemistry it has been shown that the adsorption of ether molecules on Si(001) under ultrahigh vacuum conditions can be understood with classical concepts of organic chemistry. Detailed analysis of the two-step reaction mechanism-1) formation of a dative bond between the ether oxygen atom and a Lewis acidic surface atom and 2) nucleophilic attack of a nearby Lewis basic surface atom-shows that it mirrors acid-catalyzed ether cleavage in solution. The O-Si dative bond is the strongest of its kind, and the reactivity in step 2 defies the Bell-Evans-Polanyi principle. Electron rearrangement during C-O bond cleavage has been visualized with a newly developed method for analyzing bonding, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular S N 2 reactions. Our findings illustrate how surface science and molecular chemistry can mutually benefit from each other and unexpected insight can be gained. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

2012 Gordon Research Conference, Organometallic Chemistry, 8-13 2012

Energy Technology Data Exchange (ETDEWEB)

Hillhouse, Gregory [Univ. of Chicago, IL (United States)

2012-07-13

The 2012 Organometallic Chemistry Gordon Research Conference will highlight new basic science and fundamental applications of organometallic chemistry in industrial, academic, and national lab settings. Scientific themes of the conference will include chemical synthesis, reactivity, catalysis, polymer chemistry, bonding, and theory that involve transition-metal (and main-group) interactions with organic moieties.

Academic excellence workshops in chemistry and physics

Science.gov (United States)

Mills, Susan Rose

In the mid-1970's, Uri Treisman, at the University of California, Berkeley, developed an academic excellence workshop program that had important successes in increasing minority student achievement and persistence in calculus. The present dissertation research is an in-depth study of chemistry and physics workshops at the California State Polytechnic University, Pomona. Data for the first, longitudinal component of this study were obtained by tracking to Spring 1998 all workshop minority students, i.e., Latino, African American, and Native American workshop students, a random sample of non-workshop minority students, and a random sample of non-targeted students, i.e., Anglo and Asian students, enrolled in first-quarter General Chemistry or Physics during specific quarters of 1992 or 1993. Data for the second component were obtained by administering questionnaires, conducting interviews, and observing science students during Fall, 1996. Workshop participation was a significant predictor of first-quarter course grade for minority students in both chemistry and physics, while verbal and mathematics Scholastic Aptitude Test (SAT) scores were not significant predictors of beginning course grade for minority science students. The lack of predictive ability of the SAT and the importance of workshop participation in minority students' beginning science course performance are results with important implications for educators and students. In comparing pre-college achievement measures for workshop and non-targeted students, non-targeted students' mathematics SAT scores were significantly higher than chemistry and physics workshop students' scores. Nonetheless, workshop participation "leveled the field" as workshop and non-targeted students performed similarly in beginning science courses. Positive impacts of workshop participation on achievement, persistence, efficiency, social integration, and self-confidence support the continued and expanded funding of workshop programs

Air pollution modeling over very complex terrain: An evaluation of WRF-Chem over Switzerland for two 1-year periods

Science.gov (United States)

Ritter, Mathias; Müller, Mathias D.; Tsai, Ming-Yi; Parlow, Eberhard

2013-10-01

The fully coupled chemistry module (WRF-Chem) within the Weather Research and Forecasting (WRF) model has been implemented over a Swiss domain for the years 2002 and 1991. The very complex terrain requires a high horizontal resolution (2 × 2 km2), which is achieved by nesting the Swiss domain into a coarser European one. The temporal and spatial distribution of O3, NO2 and PM10 as well as temperature and solar radiation are evaluated against ground-based measurements. The model performs well for the meteorological parameters with Pearson correlation coefficients of 0.92 for temperature and 0.88-0.89 for solar radiation. Temperature has root mean square errors (RMSE) of 3.30 K and 3.51 K for 2002 and 1991 and solar radiation has RMSEs of 122.92 and 116.35 for 2002 and 1991, respectively. For the modeled air pollutants, a multi-linear regression post-processing was used to eliminate systematic bias. Seasonal variations of post-processed air pollutants are represented correctly. However, short-term peaks of several days are not captured by the model. Averaged daily maximum and daily values of O3 achieved Pearson correlation coefficients of 0.69-0.77 whereas averaged NO2 and PM10 had the highest correlations for yearly average values (0.68-0.78). The spatial distribution reveals the importance of PM10 advection from the Po valley to southern Switzerland (Ticino). The absolute errors are ranging from - 10 to 15 μg/m3 for ozone, - 9 to 3 μg/m3 for NO2 and - 4 to 3 μg/m3 for PM10. However, larger errors occur along heavily trafficked roads, in street canyons or on mountains. We also compare yearly modeled results against a dedicated Swiss dispersion model for NO2 and PM10. The dedicated dispersion model has a slightly better statistical performance, but WRF-Chem is capable of computing the temporal evolution of three-dimensional data for a variety of air pollutants and meteorological parameters. Overall, WRF-Chem with the application of post-processing algorithms can

K P Kaliappan | Speakers | Indian Academy of Sciences

Indian Academy of Sciences (India)

, Email: kpk@chem.iitb.ac.in. Krishna P Kaliappan, IIT-Bombay, elected to Fellowship in 2016. Kaliappan is a recipient of Prof. C. N. R. Rao National Prize in Chemical Sciences (2015) and the Swarnajayanti Fellowship (2007). He received his ...

Chemistry Vocabulary Attainment among Higher Secondary Students

Science.gov (United States)

Gafoor, K. Abdul; Greeshma, K.

2014-01-01

In the context of growing empirical evidence to lack of clear understanding of the language of the science content, undesirable student outcomes including difficulty in learning science and a lack of interest with their science content area, and chemistry being particularly loaded with specialized terminology of its own, this study analyzed the…

A STUDY ON THE EFFECT OF CASE BASED LEARNING FOR PRE-SERVICE SCIENCE TEACHERS’ ATTITUDES TOWARDS AN ANALYTICAL CHEMISTRY LABORATORY EXPERIMENT

OpenAIRE

Alpat, Sibel Kılınç; Uyulgan, Melis Arzu; Özbayrak, Özge; Alpat, Şenol

2011-01-01

It is aimed to analyze the change of the pre-service science teachers‘ attitudes towards chemistry laboratories using case-based learning, an active learning method, in this research. This research is an semiexperimental study with a control group. The sample of this research was originated by the second-year students (N=61) of the department of science education in Dokuz Eylul University, Faculty of Buca Education. In the first stage of the research, a case about the experiment of determinin...

Environmental chemistry of the actinide elements

International Nuclear Information System (INIS)

Rao Linfeng

1986-01-01

The environmental chemistry of the actinide elements is a new branch of science developing with the application of nuclear energy on a larger and larger scale. Various aspects of the environmental chemistry of the actinide elements are briefly reviewed in this paper, such as its significance in the nuclear waste disposal, its coverage of research fields and possible directions for future study

small-scale chemistry for a hands-on approach to chemistry practical

African Journals Online (AJOL)

IICBA01

Department of Chemistry, Norwegian University of Science and Technology, ..... kits were acquired from South Africa (Mylab project, Northwest University). .... solve/handle the lab problems, and, even less, to explore innovative ways ..... lessons at their own pace, they were good at managing and saving time for activities like.

Proceedings of the 11. ENQA: Brazilian meeting on analytical chemistry. Challenges for analytical chemistry in the 21st century. Book of Abstracts

International Nuclear Information System (INIS)

2001-01-01

The 11th National Meeting on Analytical Chemistry was held from 18 to 21 September, 2001 at the Convention Center of UNICAMP, with the theme Challenges for Analytical Chemistry in the 21st Century. This meeting have discussed on the development of new methods and analytical tools needed to solve new challenges. The papers presented topics related to the different sub-areas of Analytical Chemistry such as Environmental Chemistry; Chemiometry techniques; X-ray Fluorescence Analysis; Spectroscopy; Separation Processes; Electroanalytic Chemistry and others. Were also included lectures on the Past and Future of Analytical Chemistry and on Ethics in Science

Enhancing Preservice Teachers' Understanding of Students' Misconceptions in Learning Chemistry

Science.gov (United States)

Naah, Basil Mugaga

2015-01-01

Preservice teachers enrolled in a modified introductory chemistry course used an instructional rubric to improve and evaluate their understanding of students' misconceptions in learning various chemistry concepts. A sample of 79 preservice teachers first explored the state science standards to identify chemistry misconceptions associated with the…

WHAT MAKES CHEMISTRY DIFFICULT?

African Journals Online (AJOL)

IICBA01

School of Natural and Computational Science Dire Dawa University, Ethiopia,. 2 ... lack of teaching aids and the difficulty of the language of chemistry. ... lab every other week consisting of concept pretests on the web, hand-written homework, ...

NATO Advanced Research Workshop on Chemical Instabilities : Applications in Chemistry, Engineering, Geology, and Materials Science

CERN Document Server

Baras, F

1984-01-01

On March 14-18, 1983 a workshop on "Chemical Instabilities: Applications in Chemistry, Engineering, Geology, and Materials Science" was held in Austin, Texas, U.S.A. It was organized jointly by the University of Texas at Austin and the Universite Libre de Bruxelles and sponsored qy NATO, NSF, the University of Texas at Austin, the International Solvay Institutes and the Ex­ xon Corporation. The present Volume includes most of the material of the in­ vited lectures delivered in the workshop as well as material from some posters, whose content was directly related to the themes of the invited lectures. In ,recent years, problems related to the stability and the nonlinear dynamics of nonequilibrium systems invaded a great num­ ber of fields ranging from abstract mathematics to biology. One of the most striking aspects of this development is that subjects reputed to be "classical" and "well-established" like chemistry, turned out to give rise to a rich variety of phenomena leading to multiple steady states and...

Conference 'Republic Anniversary Conference of young scientists, dedicated to 30 thirtieth anniversary of Institute of Chemistry of Academy of Sciences of Republic of Tajikistan' Proceedings

International Nuclear Information System (INIS)

1986-04-01

This collection of thesis of Republic Anniversary Conference of young scientists, dedicated to 30 thirtieth anniversary of Institute of Chemistry of Academy of Sciences of Republic of Tajikistan present the results of investigation of young scientists-chemists of Tajikistan which was carried out from 1974 till 1976 years in the area of physical, nonorganic, analytical, applied and organic chemistry. They are consider the questions of matters synthesis with beforehand given properties

Chemical Characterization and Source Apportionment of Size Fractionated Atmospheric Aerosols, and, Evaluating Student Attitudes and Learning in Large Lecture General Chemistry Classes

Science.gov (United States)

Allen, Gregory Harold

between the OOA2 and WBOA factors and smoke levels indicates that these factors can be used to identify the influence of biomass burning on ambient aerosols. The effectiveness of using the ChemWiki instead of a traditional textbook was investigated during the spring quarter of 2014. Student performance was measured using common midterms, a final, and a pre/post content exams. We also employed surveys, the Colorado Learning Attitudes about Science Survey (CLASS) for Chemistry, and a weekly time-on-task survey to quantify students' attitudes and study habits. The effectiveness of the ChemWiki compared to a traditional textbook was examined using multiple linear regression analysis with a standard non-inferiority testing framework. Results show that the performance of students in the section who were assigned readings from the ChemWiki was non-inferior to the performance of students in the section who were assigned readings from the traditional textbook, indicating that the ChemWiki does not substantially differ from the standard textbook in terms of student learning outcomes. The results from the surveys also suggest that the two classes were similar in their beliefs about chemistry and overall average time spent studying. These results indicate that the ChemWiki is a viable cost-saving alternative to traditional textbooks. The impact of using active learning techniques in a large lecture general chemistry class was investigated by assessing student performance and attitudes during the fall 2014 and winter 2015 quarters. One instructor applied active learning strategies while the remaining instructors employed more traditional lecture styles. Student performance, learning, learning environments, and attitudes were measured using a standardized pre/post exams, common final exams, classroom observations, and the CLASS chemistry instrument in large lecture general chemistry courses. Classroom observation data showed that the active learning class was the most student centered

Enriching Learning for First Year Chemistry Students: Introduction of Adobe Connect

Science.gov (United States)

Smith, Erica; Lye, Peter; Greatrex, Ben; Taylor, Michelle; Stupans, Ieva

2013-01-01

The study of chemistry is central within science and other associated degrees. At the University of New England in Armidale academics need to provide chemistry teaching in both a distance and the traditional on-campus mode within science and other degrees. This study explores the contribution that the adoption of Adobe Connect technology can make…

Integrated Lecture and Laboratory Chemistry Components of Science Education Program for Early and Middle Childhood Education Majors

Science.gov (United States)

Lunsford, S. K.

2004-05-01

Two new chemistry courses were developed for early childhood and middle childhood education majors. The results of a pre- and posttest in the courses indicate success in developing student content knowledge and ability to problem solve. In addition these courses are designed to develop preservice teachers' understanding of the National Science Education Standards and foster support for implementing these standards in their classrooms. These courses provide materials, resources, and guidance in implementing the standards in their future teaching careers.

Structure analysis of molecular systems in the Institute of Macromolecular Chemistry of the Czech Academy of Sciences

Czech Academy of Sciences Publication Activity Database

Hašek, Jindřich

2010-01-01

Roč. 17, 2a (2010), k32-k34 ISSN 1211-5894. [Struktura 2010. Soláň, 14.06.2010-17.06.2010] R&D Projects: GA AV ČR IAA500500701; GA ČR GA305/07/1073 Institutional research plan: CEZ:AV0Z40500505 Keywords : Academy of Sciences of the Czech Republic * X-ray structure analysis * crystallography Subject RIV: CD - Macromolecular Chemistry http:// xray .cz/ms/bul2010-2a/hasek.pdf

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Author Affiliations. Magdy A H Zahran1 Atef M Ibrahim2. Organic Chemistry Laboratory, Department of Chemistry, Faculty of Science, Menoufiya University, 32511, Egypt; Department of Microbiology and Biotechnology, Genetic Engineering and Biotechnology Institute, Menoufiya University, 32511, Egypt ...

Physics and Chemistry of Earth Materials

Science.gov (United States)

Navrotsky, Alexandra

1994-11-01

Stressing the fundamental solid state behavior of minerals, and emphasizing both theory and experiment, this text surveys the physics and chemistry of earth materials. The author begins with a systematic tour of crystal chemistry of both simple and complex structures (with completely new structural drawings) and discusses how to obtain structural and thermodynamic information experimentally. Dr. Navrotsky also reviews the quantitative concepts of chemical bonding--band theory, molecular orbit and ionic models. She then covers physical properties and relates microscopic features to macroscopic thermodynamic behavior and treats high pressure phase transitions, amorphous materials and solid state reactions. The author concludes with a look at the interface between mineral physics and materials science. Highly illustrated throughout, this book fills the gap between undergraduate texts and specialized review volumes and is appropriate for students and researchers in earth science and materials science.

Chem-Prep PZT 95/5 for Neutron Generator Applications: Particle Size Distribution Comparison of Development and Production-Scale Powders

International Nuclear Information System (INIS)

SIPOLA, DIANA L.; VOIGT, JAMES A.; LOCKWOOD, STEVEN J.; RODMAN-GONZALES, EMILY D.

2002-01-01

The Materials Chemistry Department 1846 has developed a lab-scale chem-prep process for the synthesis of PNZT 95/5, a ferroelectric material that is used in neutron generator power supplies. This process (Sandia Process, or SP) has been successfully transferred to and scaled by Department 14192 (Ceramics and Glass Department), (Transferred Sandia Process, or TSP), to meet the future supply needs of Sandia for its neutron generator production responsibilities. In going from the development-size SP batch (1.6 kg/batch) to the production-scale TSP powder batch size (10 kg/batch), it was important that it be determined if the scaling process caused any ''performance-critical'' changes in the PNZT 95/5 being produced. One area where a difference was found was in the particle size distributions of the calcined PNZT powders. Documented in this SAND report are the results of an experimental study to determine the origin of the differences in the particle size distribution of the SP and TSP powders

Cleanup of metals and hydrocarbons contaminated soils using the ChemTech process

International Nuclear Information System (INIS)