A crystallographic evidence of carboxylate(O)...π

Indian Academy of Sciences (India)

inorganic-organic hybrid systems, where π − π inter- actions and .... is about 13.495 Å. The non-coordinating pendant car- boxylate groups of 2 ..... Reedijk J 2004 Angew. Chem. ... Sheldrick G M 1997 SHELXL 97, Program for the solution of ...

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.

Int-Soft Interior Hyperideals of Ordered Semihypergroups

Directory of Open Access Journals (Sweden)

Asghar Khan

2017-07-01

Full Text Available The main theme of this paper is to study ordered semihypergroups in the context of int-soft interior hyperideals. In this paper, the notion of int-soft interior hyperideals are studied and their related properties are discussed. We present characterizations of interior hyperideals in terms of int-soft interior hyperideals. The concepts of int-soft hyperideals and int-soft interior hyperideals coincide in a regular as well as in intra-regular ordered semihypergroups. We prove that every int-soft hyperideal is an int-soft interior hyperideal but the converse is not true which is shown with help of an example. Furthermore we characterize simple ordered semihypergroups by means of int-soft hyperideals and int-soft interior hyperideals.

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.

Prevalence of qnr, intI, and intII genes in extendedspectrum beta ...

African Journals Online (AJOL)

Purpose: To investigate the prevalence of qnr, intI, and intII genes in extended spectrum betalactamase (ESBL)-producing Escherichia coli isolated from clinical samples in Kerman, Iran. Methods: A total of 127 E. coli were collected from clinical samples in Kerman hospitals. The antibiotic susceptibility test was performed ...

Recent results from the ILL NSEs

Energy Technology Data Exchange (ETDEWEB)

Farago, Bela [Institute Laue Langevin, 6 rue Jules Horowitz, 38000 Grenoble (France)]. E-mail: farago@ill.fr

2007-07-15

In this paper I will try to present some recent results on less usual subjects, which I believe are forward pointing to fields which might develop faster as new sources/instruments become available. The first deals with an assembly of spherical microemulsions which under certain conditions self-organize themselves into a cubic phase. Applying contrast variation and covering the large dynamical range of NSE we just start to be able to identify the different kind of relaxations present [B. Molle, et al., Phys. Rev. Lett. 90 (2003) 068305]. The second shows a nice example of diffusion of alkane chains in porous material (zeolite). Here high resolution and high intensity were needed to pinpoint the predicted 'window' effect [H. Jobic, et al., Angew. Chem. Int. Ed. 43(3) (2004) 364]. Finally some results on PMMA/PEO polymer blend will be shown, where the high count rate and simultaneous multi-Q measurement on IN11C made the experiment possible. Still improved resolution would be very welcome to fully extract all possible information [B. Farago, et al., Phys. Rev. E 72 (2005) 031809].

What can we Expect of High-Resolution Spectroscopies on Carbohydrates?

Science.gov (United States)

Cocinero, Emilio J.; Ecija, Patricia; Uriarte, Iciar; Usabiaga, Imanol; Fernández, José A.; Basterretxea, Francisco J.; Lesarri, Alberto; Davis, Benjamin G.

2015-06-01

Carbohydrates are one of the most multifaceted building blocks, performing numerous roles in living organisms. We present several structural investigations on carbohydrates exploiting an experimental strategy which combines microwave (MW) and laser spectroscopies in high-resolution. Laser spectroscopy offers high sensitivity coupled to mass and conformer selectivity, making it ideal for polysaccharides studies. On the other hand, microwave spectroscopy provides much higher resolution and direct access to molecular structure of monosaccharides. This combined approach provides not only accurate chemical insight on conformation, structure and molecular properties, but also benchmarking standards guiding the development of theoretical calculations. In order to illustrate the possibilities of a combined MW-laser approach we present results on the conformational landscape and structural properties of several monosaccharides and oligosaccharides including microsolvation and molecular recognition processes of carbohydrates. E.J. Cocinero, A. Lesarri, P. écija, F.J. Basterretxea, J.-U. Grabow, J.A. Fernández and F. Casta {n}o Angew. Chem. Int. Ed. 51, 3119-3124, 2012. E.J. Cocinero, A. Lesarri, P. écija, Á. Cimas, B.G. Davis, F.J. Basterretxea, J.A. Fernández and F. Casta {n}o J. Am. Chem. Soc. 135, 2845-2852, 2013. E.J. Cocinero, P. Çarçabal, T.D. Vaden, J.P. Simons and B.G. Davis Nature 469, 76-80, 2011. C.S. Barry, E.J. Cocinero, P. Çarçabal, D.P. Gamblin, E.C. Stanca-Kaposta, S. M. Fernández-Alonso, S. Rudić, J.P. Simons and B.G. Davis J. Am. Chem. Soc. 135, 16895-16903, 2013.

Oligomers Based on a Weak Hydrogen Bond Network: the Rotational Spectrum of the Tetramer of Difluoromethane

Science.gov (United States)

Feng, Gang; Evangelisti, Luca; Caminati, Walther; Cacelli, Ivo; Carbonaro, Laura; Prampolini, Giacomo

2013-06-01

Following the investigation of the rotational spectra of three conformers (so-called ``book'', ``prism'' and ``cage'') of the water hexamer, and of some other water oligomers, we report here the rotational spectrum of the tetramer of a freon molecule. The pulse jet Fourier transform microwave (pj-FTMW) spectrum of an isomer of the difluoromethane tetramer has been assigned. This molecular system is made of units of a relatively heavy asymmetric rotor, held together by a network of weak hydrogen bonds. The search of the rotational spectrum has been based on a high-level reference method, the CCSD(T)/CBS protocol. It is interesting to outline that the rotational spectrum of the water tetramer was not observed, probably because the minimum energy structures of this oligomer is effectively nonpolar in its ground states, or because of high energy tunnelling splittings. The rotational spectra of the monomer, dimer, trimer and tetramer of difluoromethane have been assigned in 1952, 1999, 2007, and 2013 (present work), with a decreasing time spacing between the various steps, looking then promising for a continuous and rapid extension of the size limits of molecular systems accessible to MW spectroscopy. C. Pérez, M. T. Muckle, D. P. Zaleski, N. A. Seifert, B. Temelso, G. C. Shields, Z. Kisiel, B. H. Pate, Science {336} (2012) 897. D. R. Lide, Jr., J. Am. Chem. Soc. {74} (1952) 3548. W. Caminati, S. Melandri, P. Moreschini, P. G. Favero, Angew. Chem. Int. Ed. {38} (1999) 2924. S. Blanco, S. Melandri, P. Ottaviani, W. Caminati, J. Am. Chem. Soc. {129} (2007) 2700.

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.

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...

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,...

Crystal structure solution of hydrides containing natEu from neutron powder diffraction data

International Nuclear Information System (INIS)

Kohlmann, H.

1999-01-01

Complete text of publication follows. The location of hydrogen in crystal structures of metal hydrides usually requires neutron diffraction data. Some elements, however, show excessively high absorption cross sections, σ a , for neutrons, thus making this technique seemingly impractical. Therefore no complete, refined crystal structure data of europium hydrides (σ a ( nat Eu) = .4530 barns at λ = 179.8 pm [1]) have been reported so far. It is shown that the absorption can be reduced to a value reasonable for neutron diffraction experiments by taking advantage of the wavelength dependence of σ a combined with the use of annular samples at advanced diffractometers. Neutron powder diffraction data on several nat Eu containing deuterides suitable for the ab initio crystal structure solution and refinement have been taken at D20 and D4 (ILL, Grenoble). The crystal chemistry of these europium hydrides, among them the two new compounds EuMg 2 H 6 and EuMgH 4 [2], is discussed. (author) [1] V.F. Sears, Neutron News 1992, 3, 26-37.; [2] H. Kohlmann, F. Gingl, T. Hansen, K. Yvon, Angew. Chem. Int. Ed. Eng. 1999, 38, accepted

Effects of genetically modified cotton stalks on antibiotic resistance genes, intI1, and intI2 during pig manure composting.

Science.gov (United States)

Duan, Manli; Gu, Jie; Wang, Xiaojuan; Li, Yang; Zhang, Sheqi; Yin, Yanan; Zhang, Ranran

2018-01-01

Genetically modified (GM) cotton production generates a large yield of stalks and their disposal is difficult. In order to study the feasibility of using GM cotton stalks for composting and the changes that occur in antibiotic resistance genes (ARGs) during composting, we supplemented pig manure with GM or non-GM cotton stalks during composting and we compared their effects on the absolute abundances (AA) of intI1, intI2, and ARGs under the two treatments. The compost was mature after processing based on the germination index and C/N ratio. After composting, the AAs of ARGs, intI1, and intI2 were reduced by 41.7% and 45.0% in the non-GM and GM treatments, respectively. The ARG profiles were affected significantly by temperature and ammonia nitrogen. In addition, excluding tetC, GM cotton stalks had no significant effects on ARGs, intI1, and intI2 compared with the non-GM treatment (p composting with livestock manure, and the AAs of ARGs can be reduced. Furthermore, the results of this study provide a theoretical basis for the harmless utilization of GM cotton stalks. Copyright © 2017 Elsevier Inc. All rights reserved.

Evaluation of the toxicity of organic matter in marine sediments

Digital Repository Service at National Institute of Oceanography (India)

Sarkar, A.

stream_size 3 stream_content_type text/plain stream_name 2_Int_Conf_Waste_Mgmt_Chem_Petrochem_Ind_Toxic_Mgmt_1991_258.pdf.txt stream_source_info 2_Int_Conf_Waste_Mgmt_Chem_Petrochem_Ind_Toxic_Mgmt_1991_258.pdf.txt Content...

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

High-performance piezoelectric nanogenerators for self-powered nanosystems: quantitative standards and figures of merit

Science.gov (United States)

Wu, Wenzhuo

2016-03-01

Harvesting energies from the atmosphere cost-effectively is critical for both addressing worldwide long-term energy needs at the macro-scale, and achieving the sustainable maintenance-free operation of nanodevices at the micro-scale (Wang and Wu 2012 Angew. Chem. Int. Ed. 51 11700-21). Piezoelectric nanogenerator (NG) technology has demonstrated its great application potential in harvesting the ubiquitous and abundant mechanical energy. Despite of the progress made in this rapidly-advancing field, a fundamental understanding and common standard for consistently quantifying and evaluating the performance of the various types of piezoelectric NGs is still lacking. In their recent study Crossley and Kar-Narayan (2015 Nanotechnology 26 344001), systematically investigated dynamical properties of piezoelectric NGs by taking into account the effect of driving mechanism and load frequency on NG performance. They further defined the NGs’ figures of merit as energy harvested normalized by applied strain or stress for NGs under strain-driven or stress-driven conditions, which are commonly seen in the vibrational energy harvesting. This work provides new insight and a feasible approach for consistently evaluating piezoelectric nanomaterials and NG devices, which is important for designing and optimizing nanoscale piezoelectric energy harvesters, as well as promoting their applications in emerging areas e.g. the internet of things, wearable devices, and self-powered nanosystems.

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.

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.

Engaging Organic Chemistry Students Using ChemDraw for iPad

Science.gov (United States)

Morsch, Layne A.; Lewis, Michael

2015-01-01

Drawing structures, mechanisms, and syntheses is a vital part of success in organic chemistry courses. ChemDraw for iPad has been used to increase classroom experiences in the preparation of high quality chemical drawings. The embedded Flick-to-Share allows for simple, real-time exchange of ChemDraw documents. ChemDraw for iPad also allows…

Establishing Criteria for Assigning Personnel to Air Force Jobs Requiring Heavy Work

Science.gov (United States)

1978-07-01

loads (for example, carrying meat at the slaughterhouse , carrying of sacks, loading wood by hand) wood cutting in the forest by hand tools, agricultural...8217 factor history. Medical Service Digest (United States Air Force), 27(2), 1976, pp. 14-16. 186 Trimeloni, Col. B.D. The Role of Women in the Air Force...Rahden. Effect of training on maximum oxygen intake and on anaerobic metabolism in man. Int. Z. Angew Physiol., 24(2), 1967, pp. 102-110. 188 Wyndham, C.H

Infrared Spectroscopy of HNO and Noh Suspended in Solid Parahydrogen

Science.gov (United States)

Anderson, David T.; Ruzi, Mahmut

2013-06-01

The only report in the literature on the infrared spectroscopy of the parent oxynitrene NOH was performed using Ar matrix isolation spectroscopy at 10 K. In this previous study, the NOH is synthesized by co-deposition of NO/Ar and a H_2/Ar mixture that is passed through a microwave discharge to create H-atoms. The H-atoms recombine with NO in the Ar matrix to produce mostly HNO, but some NOH is produced as well. In this work we irradiate NO doped parahydrogen solids at 2 K using 193 nm radiation which is known to generate H-atoms as by-products. After the photolysis laser is stopped, we detect growth of HNO and NOH presumably due to reactions of H-atoms with NO analogous to the previous Ar matrix study. The higher energy NOH isomer is predicted by high-level calculations to be in a triplet ground electronic state. Interestingly, the infrared absorptions of NOH for the two observed vibrational modes (bend and OH stretch) display fine structure; an intense central peak with smaller peaks spaced symmetrically to both lower and higher wavenumbers. Further, the spacing between the peaks is the same for both vibrational modes. We believe this fine structure reflects the zero-field splitting of the triplet ground state of NOH (magnetic dipole-dipole interaction) and our most current results and analysis will be presented. G. Maier, H. P. Reisenauer, M. De Marco, Angew. Chem. Int. Ed. 38, 108-110 (1999). M. Fushitani and T. Momose, Low Temp. Phys. 29, 740-743 (2003). U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 136, 164303 (2012).

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.

A core hSSB1–INTS complex participates in the DNA damage response

OpenAIRE

Zhang, Feng; Ma, Teng; Yu, Xiaochun

2013-01-01

Human single-stranded DNA-binding protein 1 (hSSB1) plays an important role in the DNA damage response and the maintenance of genomic stability. It has been shown that the core hSSB1 complex contains hSSB1, INTS3 and C9orf80. Using protein affinity purification, we have identified integrator complex subunit 6 (INTS6) as a major subunit of the core hSSB1 complex. INTS6 forms a stable complex with INTS3 and hSSB1 both in vitro and in vivo. In this complex, INTS6 directly interacts with INTS3. I...

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

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 ...

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.

Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks.

Science.gov (United States)

Shen, Lin; Yang, Weitao

2018-03-13

Direct molecular dynamics (MD) simulation with ab initio quantum mechanical and molecular mechanical (QM/MM) methods is very powerful for studying the mechanism of chemical reactions in a complex environment but also very time-consuming. The computational cost of QM/MM calculations during MD simulations can be reduced significantly using semiempirical QM/MM methods with lower accuracy. To achieve higher accuracy at the ab initio QM/MM level, a correction on the existing semiempirical QM/MM model is an attractive idea. Recently, we reported a neural network (NN) method as QM/MM-NN to predict the potential energy difference between semiempirical and ab initio QM/MM approaches. The high-level results can be obtained using neural network based on semiempirical QM/MM MD simulations, but the lack of direct MD samplings at the ab initio QM/MM level is still a deficiency that limits the applications of QM/MM-NN. In the present paper, we developed a dynamic scheme of QM/MM-NN for direct MD simulations on the NN-predicted potential energy surface to approximate ab initio QM/MM MD. Since some configurations excluded from the database for NN training were encountered during simulations, which may cause some difficulties on MD samplings, an adaptive procedure inspired by the selection scheme reported by Behler [ Behler Int. J. Quantum Chem. 2015 , 115 , 1032 ; Behler Angew. Chem., Int. Ed. 2017 , 56 , 12828 ] was employed with some adaptions to update NN and carry out MD iteratively. We further applied the adaptive QM/MM-NN MD method to the free energy calculation and transition path optimization on chemical reactions in water. The results at the ab initio QM/MM level can be well reproduced using this method after 2-4 iteration cycles. The saving in computational cost is about 2 orders of magnitude. It demonstrates that the QM/MM-NN with direct MD simulations has great potentials not only for the calculation of thermodynamic properties but also for the characterization of

AutoClickChem: click chemistry in silico.

Directory of Open Access Journals (Sweden)

Jacob D Durrant

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

AutoClickChem: click chemistry in silico.

Science.gov (United States)

Durrant, Jacob D; McCammon, J Andrew

2012-01-01

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

Secondary organic aerosol (trans)formation through aqueous phase guaiacol photonitration: a kinetic study

Science.gov (United States)

Kroflič, Ana; Grgić, Irena

2014-05-01

chromatography (HPLC). The reaction kinetics was determined and the temperature dependence of pseudo-first order rate constants was described by the Arrhenius equation. The guaiacol lifetime in the atmosphere at low temperature was predicted afterwards. Last but not least, the long-term reaction monitoring explained the absence of 6-NG in real aerosol samples analyzed by Kitanovski et al. (2012). Pöschl, U. (2005) Angew. Chem. Int. Ed. 44, 7520-7540. Heald, C.L. et al. (2005) Geophys. Res. Lett. 32, L18809-L18812. Hallquist, M. et al. (2009) Atmos. Chem. Phys. 9, 5155-5236. Lim Y.B. et al. (2010) Atmos. Chem. Phys. 10, 10521-10539. Traversi, D. et al. (2009) Environ. Int. 35, 905-910. Ervens, B. et al. (2011) Atmos. Chem. Phys. 11, 11069-11102. Kitanovski, Z. et al. (2012) J. Chromatogr. A 1268, 35-43.

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...

Infrared Spectroscopy of Noh Suspended in Solid Parahydrogen: Part Two

Science.gov (United States)

Balabanoff, Morgan E.; Mutunga, Fredrick M.; Anderson, David T.

2015-06-01

The only report in the literature on the infrared spectroscopy of the parent oxynitrene NOH was performed using Ar matrix isolation spectroscopy at 10 K. In this previous study, they performed detailed isotopic studies to make definitive vibrational assignments. NOH is predicted by high-level calculations to be in a triplet ground electronic state, but the Ar matrix isolation spectra cannot be used to verify this triplet assignment. In our 2013 preliminary report, we showed that 193 nm in situ photolysis of NO trapped in solid parahydrogen can also be used to prepare the NOH molecule. Over the ensuing two years we have been studying the infrared spectroscopy of this species in more detail. The spectra reveal that NOH can undergo hindered rotation in solid parahydrogen such that we can observe both a-type and b-type rovibrational transitions for the O-H stretch vibrational mode, but only a-type for the mode assigned to the bend. In addition, both observed a-type infrared absorption features (bend and OH stretch) display fine structure; an intense central peak with weaker peaks spaced symmetrically to both lower and higher wavenumbers. The spacing between the peaks is nearly identical for both vibrational modes. We now believe this fine structure is due to spin-rotation interactions and we will present a detailed analysis of this fine structure. Currently, we are performing additional experiments aimed at making 15NOH to test these preliminary assignments. The most recent data and up-to-date analysis will be presented in this talk. G. Maier, H. P. Reisenauer, M. De Marco, Angew. Chem. Int. Ed. 38, 108-110 (1999). U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 136, 164303 (2012). David T. Anderson and Mahmut Ruzi, 68th Ohio State University International Symposium on Molecular Spectroscopy, talk TE01 (2013).

Tight regulation of the intS gene of the KplE1 prophage: a new paradigm for integrase gene regulation.

Directory of Open Access Journals (Sweden)

Gaël Panis

2010-10-01

Full Text Available Temperate phages have the ability to maintain their genome in their host, a process called lysogeny. For most, passive replication of the phage genome relies on integration into the host's chromosome and becoming a prophage. Prophages remain silent in the absence of stress and replicate passively within their host genome. However, when stressful conditions occur, a prophage excises itself and resumes the viral cycle. Integration and excision of phage genomes are mediated by regulated site-specific recombination catalyzed by tyrosine and serine recombinases. In the KplE1 prophage, site-specific recombination is mediated by the IntS integrase and the TorI recombination directionality factor (RDF. We previously described a sub-family of temperate phages that is characterized by an unusual organization of the recombination module. Consequently, the attL recombination region overlaps with the integrase promoter, and the integrase and RDF genes do not share a common activated promoter upon lytic induction as in the lambda prophage. In this study, we show that the intS gene is tightly regulated by its own product as well as by the TorI RDF protein. In silico analysis revealed that overlap of the attL region with the integrase promoter is widely encountered in prophages present in prokaryotic genomes, suggesting a general occurrence of negatively autoregulated integrase genes. The prediction that these integrase genes are negatively autoregulated was biologically assessed by studying the regulation of several integrase genes from two different Escherichia coli strains. Our results suggest that the majority of tRNA-associated integrase genes in prokaryotic genomes could be autoregulated and that this might be correlated with the recombination efficiency as in KplE1. The consequences of this unprecedented regulation for excessive recombination are discussed.

First EURONEAR NEA discoveries from La Palma using the INT

Science.gov (United States)

Vaduvescu, O.; Hudin, L.; Tudor, V.; Char, F.; Mocnik, T.; Kwiatkowski, T.; de Leon, J.; Cabrera-Lavers, A.; Alvarez, C.; Popescu, M.; Cornea, R.; Díaz Alfaro, M.; Ordonez-Etxeberria, I.; Kamiński, K.; Stecklum, B.; Verdes-Montenegro, L.; Sota, A.; Casanova, V.; Martin Ruiz, S.; Duffard, R.; Zamora, O.; Gomez-Jimenez, M.; Micheli, M.; Koschny, D.; Busch, M.; Knofel, A.; Schwab, E.; Negueruela, I.; Dhillon, V.; Sahman, D.; Marchant, J.; Génova-Santos, R.; Rubiño-Martín, J. A.; Riddick, F. C.; Mendez, J.; Lopez-Martinez, F.; Gänsicke, B. T.; Hollands, M.; Kong, A. K. H.; Jin, R.; Hidalgo, S.; Murabito, S.; Font, J.; Bereciartua, A.; Abe, L.; Bendjoya, P.; Rivet, J. P.; Vernet, D.; Mihalea, S.; Inceu, V.; Gajdos, S.; Veres, P.; Serra-Ricart, M.; Abreu Rodriguez, D.

2015-05-01

Since 2006, the European Near Earth Asteroids Research (EURONEAR) project has been contributing to the research of near-Earth asteroids (NEAs) within a European network. One of the main aims is the amelioration of the orbits of NEAs, and starting in 2014 February we focus on the recovery of one-opposition NEAs using the Isaac Newton Telescope (INT) in La Palma in override mode. Part of this NEA recovery project, since 2014 June EURONEAR serendipitously started to discover and secure the first NEAs from La Palma and using the INT, thanks to the teamwork including amateurs and students who promptly reduce the data, report discoveries and secure new objects recovered with the INT and few other telescopes from the EURONEAR network. Five NEAs were discovered with the INT, including 2014 LU14, 2014 NL52 (one very fast rotator), 2014 OL339 (the fourth known Earth quasi-satellite), 2014 SG143 (a quite large NEA), and 2014 VP. Another very fast moving NEA was discovered but was unfortunately lost due to lack of follow-up time. Additionally, another 14 NEA candidates were identified based on two models, all being rapidly followed-up using the INT and another 11 telescopes within the EURONEAR network. They include one object discovered by Pan-STARRS, two Mars crossers, two Hungarias, one Jupiter trojan, and other few inner main belt asteroids (MBAs). Using the INT and Sierra Nevada 1.5 m for photometry, then the Gran Telescopio de Canarias for spectroscopy, we derived the very rapid rotation of 2014 NL52, then its albedo, magnitude, size, and its spectral class. Based on the total sky coverage in dark conditions, we evaluate the actual survey discovery rate using 2-m class telescopes. One NEA is possible to be discovered randomly within minimum 2.8 deg2 and maximum 5.5 deg2. These findings update our past statistics, being based on double sky coverage and taking into account the recent increase in discovery.

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...

Initial characterization of the Pf-Int recombinase from the malaria parasite Plasmodium falciparum.

Directory of Open Access Journals (Sweden)

Mehdi Ghorbal

Full Text Available Genetic variation is an essential means of evolution and adaptation in many organisms in response to environmental change. Certain DNA alterations can be carried out by site-specific recombinases (SSRs that fall into two families: the serine and the tyrosine recombinases. SSRs are seldom found in eukaryotes. A gene homologous to a tyrosine site-specific recombinase has been identified in the genome of Plasmodium falciparum. The sequence is highly conserved among five other members of Plasmodia.The predicted open reading frame encodes for a ∼57 kDa protein containing a C-terminal domain including the putative tyrosine recombinase conserved active site residues R-H-R-(H/W-Y. The N-terminus has the typical alpha-helical bundle and potentially a mixed alpha-beta domain resembling that of λ-Int. Pf-Int mRNA is expressed differentially during the P. falciparum erythrocytic life stages, peaking in the schizont stage. Recombinant Pf-Int and affinity chromatography of DNA from genomic or synthetic origin were used to identify potential DNA targets after sequencing or micro-array hybridization. Interestingly, the sequences captured also included highly variable subtelomeric genes such as var, rif, and stevor sequences. Electrophoretic mobility shift assays with DNA were carried out to verify Pf-Int/DNA binding. Finally, Pf-Int knock-out parasites were created in order to investigate the biological role of Pf-Int.Our data identify for the first time a malaria parasite gene with structural and functional features of recombinases. Pf-Int may bind to and alter DNA, either in a sequence specific or in a non-specific fashion, and may contribute to programmed or random DNA rearrangements. Pf-Int is the first molecular player identified with a potential role in genome plasticity in this pathogen. Finally, Pf-Int knock-out parasite is viable showing no detectable impact on blood stage development, which is compatible with such function.

"CHEM"opera for Chemistry Education

Science.gov (United States)

Chung, Yong Hee

2013-01-01

"CHEM"opera is an opera blended with demonstrations of chemical reactions. It has been produced and performed twice by chemistry undergraduate students at Hallym University in South Korea. It aims to demonstrate interesting chemical reactions to chemistry students, children and the public and to facilitate their understanding of the role…

The MIntAct project—IntAct as a common curation platform for 11 molecular interaction databases

Science.gov (United States)

Orchard, Sandra; Ammari, Mais; Aranda, Bruno; Breuza, Lionel; Briganti, Leonardo; Broackes-Carter, Fiona; Campbell, Nancy H.; Chavali, Gayatri; Chen, Carol; del-Toro, Noemi; Duesbury, Margaret; Dumousseau, Marine; Galeota, Eugenia; Hinz, Ursula; Iannuccelli, Marta; Jagannathan, Sruthi; Jimenez, Rafael; Khadake, Jyoti; Lagreid, Astrid; Licata, Luana; Lovering, Ruth C.; Meldal, Birgit; Melidoni, Anna N.; Milagros, Mila; Peluso, Daniele; Perfetto, Livia; Porras, Pablo; Raghunath, Arathi; Ricard-Blum, Sylvie; Roechert, Bernd; Stutz, Andre; Tognolli, Michael; van Roey, Kim; Cesareni, Gianni; Hermjakob, Henning

2014-01-01

IntAct (freely available at http://www.ebi.ac.uk/intact) is an open-source, open data molecular interaction database populated by data either curated from the literature or from direct data depositions. IntAct has developed a sophisticated web-based curation tool, capable of supporting both IMEx- and MIMIx-level curation. This tool is now utilized by multiple additional curation teams, all of whom annotate data directly into the IntAct database. Members of the IntAct team supply appropriate levels of training, perform quality control on entries and take responsibility for long-term data maintenance. Recently, the MINT and IntAct databases decided to merge their separate efforts to make optimal use of limited developer resources and maximize the curation output. All data manually curated by the MINT curators have been moved into the IntAct database at EMBL-EBI and are merged with the existing IntAct dataset. Both IntAct and MINT are active contributors to the IMEx consortium (http://www.imexconsortium.org). PMID:24234451

L'intégrité au CERN

CERN Document Server

HR, Department

2015-01-01

Pour mener à bien sa mission, le CERN compte sur la confiance et le soutien matériel de ses États membres et de ses partenaires, et se doit de gérer de manière exemplaire les ressources qui lui sont confiées. Dès lors, le CERN attend la plus haute intégrité de la part de tous ses collaborateurs (membres du personnel, consultants, contractants travaillant sur le domaine ou personne engagée à tout autre titre au CERN ou pour le compte de celui-ci). L’intégrité est l’une des valeurs essentielles du CERN. Elle est définie dans le Code de conduite comme le fait d’« agir avec éthique, en toute honnêteté intellectuelle et en étant responsable de ses actes ».

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

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

Process modeling for the Integrated Nonthermal Treatment System (INTS) study

Energy Technology Data Exchange (ETDEWEB)

Brown, B.W.

1997-04-01

This report describes the process modeling done in support of the Integrated Nonthermal Treatment System (INTS) study. This study was performed to supplement the Integrated Thermal Treatment System (ITTS) study and comprises five conceptual treatment systems that treat DOE contract-handled mixed low-level wastes (MLLW) at temperatures of less than 350{degrees}F. ASPEN PLUS, a chemical process simulator, was used to model the systems. Nonthermal treatment systems were developed as part of the INTS study and include sufficient processing steps to treat the entire inventory of MLLW. The final result of the modeling is a process flowsheet with a detailed mass and energy balance. In contrast to the ITTS study, which modeled only the main treatment system, the INTS study modeled each of the various processing steps with ASPEN PLUS, release 9.1-1. Trace constituents, such as radionuclides and minor pollutant species, were not included in the calculations.

ChemAND - a system health monitor for plant chemistry

Energy Technology Data Exchange (ETDEWEB)

Turner, C.W.; Mitchel, G.R.; Tosello, G.; Balakrishnan, P.V.; McKay, G.; Thompson, M. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada); Dundar, Y.; Bergeron, M.; Laporte, R. [Hydro-Quebec, Groupe Chimie, Centrale Nucleaire Gentilly-2, Gentilly, Quebec (Canada)

2001-03-01

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

ChemAND - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

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

2001-01-01

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

ChemAND - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

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

2001-03-01

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

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.

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/.

IntPath--an integrated pathway gene relationship database for model organisms and important pathogens.

Science.gov (United States)

Zhou, Hufeng; Jin, Jingjing; Zhang, Haojun; Yi, Bo; Wozniak, Michal; Wong, Limsoon

2012-01-01

Pathway data are important for understanding the relationship between genes, proteins and many other molecules in living organisms. Pathway gene relationships are crucial information for guidance, prediction, reference and assessment in biochemistry, computational biology, and medicine. Many well-established databases--e.g., KEGG, WikiPathways, and BioCyc--are dedicated to collecting pathway data for public access. However, the effectiveness of these databases is hindered by issues such as incompatible data formats, inconsistent molecular representations, inconsistent molecular relationship representations, inconsistent referrals to pathway names, and incomprehensive data from different databases. In this paper, we overcome these issues through extraction, normalization and integration of pathway data from several major public databases (KEGG, WikiPathways, BioCyc, etc). We build a database that not only hosts our integrated pathway gene relationship data for public access but also maintains the necessary updates in the long run. This public repository is named IntPath (Integrated Pathway gene relationship database for model organisms and important pathogens). Four organisms--S. cerevisiae, M. tuberculosis H37Rv, H. Sapiens and M. musculus--are included in this version (V2.0) of IntPath. IntPath uses the "full unification" approach to ensure no deletion and no introduced noise in this process. Therefore, IntPath contains much richer pathway-gene and pathway-gene pair relationships and much larger number of non-redundant genes and gene pairs than any of the single-source databases. The gene relationships of each gene (measured by average node degree) per pathway are significantly richer. The gene relationships in each pathway (measured by average number of gene pairs per pathway) are also considerably richer in the integrated pathways. Moderate manual curation are involved to get rid of errors and noises from source data (e.g., the gene ID errors in WikiPathways and

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.

The MIntAct project--IntAct as a common curation platform for 11 molecular interaction databases

OpenAIRE

Orchard, S; Ammari, M; Aranda, B; Breuza, L; Briganti, L; Broackes-Carter, F; Campbell, N; Chavali, G; Chen, C; del-Toro, N; Duesbury, M; Dumousseau, M; Galeota, E; Hinz, U; Iannuccelli, M

2014-01-01

IntAct (freely available at http://www.ebi.ac.uk/intact) is an open-source, open data molecular interaction database populated by data either curated from the literature or from direct data depositions. IntAct has developed a sophisticated web-based curation tool, capable of supporting both IMEx- and MIMIx-level curation. This tool is now utilized by multiple additional curation teams, all of whom annotate data directly into the IntAct database. Members of the IntAct team supply appropriate l...

Electroclinic effect in the chiral lamellar α phase of a lyotropic liquid crystal

Science.gov (United States)

Harjung, Marc D.; Giesselmann, Frank

2018-03-01

In thermotropic chiral Sm -A* phases, an electric field along the smectic layers breaks the D∞ symmetry of the Sm -A* phase and induces a tilt of the liquid crystal director. This so-called electroclinic effect (ECE) was first reported by Garoff and Meyer in 1977 and attracted substantial scientific and technological interest due to its linear and submicrosecond electro-optic response [S. Garoff and R. B. Meyer, Phys. Rev. A 19, 338 (1979), 10.1103/PhysRevA.19.338]. We now report the observation of an ECE in the pretransitional regime from a lyotropic chiral lamellar Lα* phase into a lyo-Sm -C* phase, the lyotropic analog to the thermotropic Sm -C* phase which was recently discovered by Bruckner et al. [Angew. Chem. Int. Ed. 52, 8934 (2013), 10.1002/anie.201303344]. We further show that the observed ECE has all signatures of its thermotropic counterpart, namely (i) the effect is chiral in nature and vanishes in the racemic Lα phase, (ii) the effect is essentially linear in the sign and magnitude of the electric field, and (iii) the magnitude of the effect diverges hyperbolically as the temperature approaches the critical temperature of the second order tilting transition. Specific deviations between the ECEs in chiral lamellar and chiral smectic phases are related to the internal field screening effect of electric double layers formed by inevitable ionic impurities in lyotropic phases.

Short Term INT-Formazan Production as a Proxy for Marine Prokaryote Respiration

Science.gov (United States)

Cajal-Medrano, R.; Villegas-Mendoza, J.; Maske, H.

2016-02-01

Prokaryotes are poisoned by the tetrazolium electron transport probe INT on time scales of less than one hour, invalidating the interpretation of the rate of in vivo INT reduction to formazan as a proxy for oxygen consumption rates (Villegas-Mendoza et al. 2015). We measured oxygen consumption rate (R; µM O2 hour-1) and electron transport activity with in vivo INT formazan production (IFP, mM formazan) at 0.5 mM INT during 1 hour exposure time of natural communities and cultures of the marine bacteria Vibrio harveyi growing in batch and continuous cultures. A strong exponential relationship R = 0.20 IFP2.15 (pgrowth rates under aerobic condition. We find that IFP and oxygen consumption increase with bacterial specific growth rates and temperature as expected from basic principles of physiology and biochemistry. Oxygen and nitrogen saturated batch cultures of V. harveyi showed that both, IFP and oxygen consumption increased for 0.8 hours but then stopped similar to natural bacterial communities supporting the above relationship of IFP to prokaryote respiration. Our method implies adding 0.5 mM INT to a plankton sample and incubating for less than 1 hour. After prokaryote separation by size filtration (0.8 mm), the formazan crystals are collected by filtration (0.2 mm) and dissolved in propanol. The absorbance at 485 nm per sample volume yields the formazan potential that is related to prokaryote respiration in the sample.

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.

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.

Études d'intégration pour l'accélérateur LHC

CERN Document Server

Muttoni, Y

2004-01-01

Dans tous les projets de recherche ou industriels, l'intégration est une phase préalable et indispensable à l'installation de services ou d'équipements. Dans une première partie, il est montré comment et suivant quelle méthode ont été conduites les études d'intégration de la machine LHC. Puis dans une deuxième partie, sera présenté le site WEB de l'ICL (Intégration Cellule LHC), l'outil de diffusion des informations générées par les études d'intégration. Enfin, la gestion des documents de non-conformités d'installation, via le système MTF sera décrite.

FastChem: An ultra-fast equilibrium chemistry

Science.gov (United States)

Kitzmann, Daniel; Stock, Joachim

2018-04-01

FastChem is an equilibrium chemistry code that calculates the chemical composition of the gas phase for given temperatures and pressures. Written in C++, it is based on a semi-analytic approach, and is optimized for extremely fast and accurate calculations.

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.

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...

INTS3 controls the hSSB1-mediated DNA damage response

OpenAIRE

Skaar, Jeffrey R.; Richard, Derek J.; Saraf, Anita; Toschi, Alfredo; Bolderson, Emma; Florens, Laurence; Washburn, Michael P.; Khanna, Kum Kum; Pagano, Michele

2009-01-01

Human SSB1 (single-stranded binding protein 1 [hSSB1]) was recently identified as a part of the ataxia telangiectasia mutated (ATM) signaling pathway. To investigate hSSB1 function, we performed tandem affinity purifications of hSSB1 mutants mimicking the unphosphorylated and ATM-phosphorylated states. Both hSSB1 mutants copurified a subset of Integrator complex subunits and the uncharacterized protein LOC58493/c9orf80 (henceforth minute INTS3/hSSB-associated element [MISE]). The INTS3?MISE?h...

Analysis of steam line break of SMART using RETRAN-3D/INT

International Nuclear Information System (INIS)

Kim, Tae-Wan; Kim, Jong-Won; Park, Goon-Cherl

2003-01-01

RETRAN-3D has been modified to be suitable to safety analysis for integral type marine reactor with modular helical-coiled steam generator cassettes. The modified RETRAN-3D, RETRAN-3D/INT, has helical coil heat conductor model and heat transfer coefficient models for tube and shell sides of helical-coiled steam generator. In addition, moving models are added to simulate the effect of ship motions such as inclination, heaving, rolling and so on. RETRAN-3D/INT has been verified with natural circulation experiment conducted in Seoul National University and the analysis results for the first Japanese nuclear ship, MUTSU. In this study, the safety analysis for SMART, which has been developed by Korea Atomic Energy Research Institute, is performed to examine the applicability of RETRAN-3D/INT to the safety analysis of SMART. The steam line break is selected as reference case. The break type is assumed to the guillotine break. The loss of offsite power is considered as a coincident event and the failure of single train of passive residual heat removal system is assumed as single failure. From the results, it is found that RETRAN-3D/INT can appropriately simulate the transient of SMART and the improvement of non-condensable gas model is required. (author)

Interaction sol-structure : Ponts à culées intégrales

OpenAIRE

Dreier, Damien; Muttoni, Aurelio

2010-01-01

Depuis quelques décennies, la part de ponts intégraux dans les nouveaux ouvrages n’a cessé d’augmenter. L’intérêt croissant pour ce type de construction se justifie par leurs nombreux avantages en comparaison avec les ponts équipés de joints de dilatation et d’appuis mécaniques. L’avantage principal est une demande de maintenance fortement réduite, les éléments mécaniques les plus sensibles aux actions mécaniques et environnementa...

Download this PDF file

African Journals Online (AJOL)

.; Mann, K.; Roitman, J.N.; Yatskievych, G.;. Proksch, M.; Proksch, P. J. Plant. Physiol., 1987, 131, 37. Adityachaudhury, N.; Rose, P.C. Int. Symp. Chem. Nat. Prod., 1978, 2, 183,. Berdwaj, D.K.; Jain, R.K.: Munjal, A.; Prasher, M. Indian J. Chem., ...

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...

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.

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.

A quantum - classical simulation of a multi-surface multi-mode ...

Indian Academy of Sciences (India)

Chem. Phys. 10 6388. [12] Sardar S, Paul A K, Sharma R and Adhikari S 2009 J. Chem. Phys. 130 144302. [13] Sardar S, Paul A K, and Adhikari S 2009 Mol. Phys. 23-24 2467. [14] Sardar S, Paul A K, Sharma R, Adhikari S, 2011 Int. J. Quant. Chem. 111 2741. [15] Dirac P A M, 1930 Proc. Cambridge Philos. Soc. 26 376. 5.

PubChem atom environments.

Science.gov (United States)

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

2015-01-01

Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

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%

L’intégration scolaire des enfants handicapés en France: Etat du problème

OpenAIRE

Tomkiewicz, Stanislaw

1991-01-01

Le principe de l’intégration scolaire des enfants handicapés, posé en 1975, a fait naître de grands espoirs et de grandes craintes surtout après 1982. J’ai examiné ici l’état de l’intégration en 1989, ses avantages et ses dangers, les résistances des différents groupes intéressés et les limites de la politique intégrative. RESUMO: O principio da integraçâo escolar das crianças com di ficuldades, colocada em 1975, fez aparecer grandes esperanças e grandes crenças, so...

Interface engineering in inorganic hybrid structures towards improved photocatalysis (Conference Presentation)

Science.gov (United States)

Xiong, Yujie

2016-10-01

Designing new photocatalytic materials for improving photoconversion efficiency is a promising route to alleviate the steadily worsening environmental issues and energy crisis. Despite the invention of a large number of catalytic materials with well-defined structures, their overall efficiency in photocatalysis is still quite limited as the three key steps - light harvesting, charge generation and separation, and charge transfer to surface for redox reactions - have not been substantially improved. To improve each step in the complex process, there is a major trend to develop materials based on inorganic hybrid structures. In this case, interface engineering holds the promise for boosting the overall efficiency, given the key roles of interface structures in charge and energy transfer. In this talk, I will demonstrate several different approaches to designing inorganic hybrid structures with improved photocatalytic performance via interface engineering. The typical demonstrations include semiconductor-plasmonics systems for broad-spectrum light harvesting, metal-semiconductor interfaces for improved charge separation, semiconductor-MOF (metal-organic framework) configurations for activated surface reactions. It is anticipated that this series of works open a new window to rationally designing inorganic hybrid materials for photo-induced applications. References: (1) Bai, S.; Yang, L.; Wang, C.; Lin, Y.; Lu, J.; Jiang, J. and Xiong, Y.*, Angew. Chem. Int. Ed. 54, 14810-14814 (2015). (2) Bai, S.; Jiang, J.; Zhang, Q. and Xiong, Y.*, Chem. Soc. Rev. 44, 2893-2939 (2015). (3) Bai, S.; Li, X.; Kong, Q.; Long, R.; Wang, C.; Jiang, J. and Xiong, Y.*, Adv. Mater. 27, 3444-3452 (2015). (4) Bai, S.; Ge, J.; Wang, L.; Gong, M.; Deng, M.; Kong, Q.; Song, L.; Jiang, J.;* Zhang, Q.;* Luo, Y.; Xie, Y. and Xiong, Y.*, Adv. Mater. 26, 5689-5695 (2014). (5) Li, R.; Hu, J.; Deng, M.; Wang, H.; Wang, X.; Hu, Y.; Jiang, H. L.; Jiang, J.;* Zhang, Q.;* Xie, Y. and Xiong, Y.*, Adv. Mater

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).

Spectroscopic Study of the Interaction between Horse Heart Myoglobin and Zirconium(IV)-Substituted Polyoxometalates as Artificial Proteases.

Science.gov (United States)

Ly, Hong Giang T; Parac-Vogt, Tatjana N

2017-09-20

A recent study [Angew. Chem. Int. Ed. 2015, 54, 7391-7394] has shown that horse heart myoglobin (HHM) is selectively hydrolyzed by a range of zirconium(IV)-substituted polyoxometalates (POMs) under mild conditions. In this study, the molecular interactions between the Zr-POM catalysts and HHM are investigated by using a range of complementary techniques, including circular dichroism (CD), UV/Vis spectroscopy, tryptophan fluorescence spectroscopy, and 1 H and 31 P NMR spectroscopy. A tryptophan fluorescence quenching study reveals that, among all examined Zr-POMs, the most reactive POM, 2:2 Zr IV -Keggin, exhibits the strongest interaction with HHM. 31 P NMR spectroscopy studies show that this POM dissociates in solution, resulting in the formation of a monomeric 1:1 Zr IV -Keggin structure, which is likely to be a catalytically active species. In the presence of Zr IV -POMs, HHM does not undergo complete denaturation, as evidenced by CD, UV/Vis, tryptophan fluorescence, and 1 H NMR spectroscopy. CD spectroscopy shows a gradual decrease in the α-helical content of HHM upon addition of Zr IV -POMs. The largest effect is observed in the presence of a large Zr IV -Wells-Dawson structure, whereas small Zr IV -Lindqvist POM has the least influence on the decrease in the α-helical content of HHM. In all cases, the Soret band at λ=409 nm is maintained in the presence of all examined Zr-POMs, which indicates that no conformational changes in the protein occur near the heme group. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.;

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.

Appel à manifestations d'intérêt

International Development Research Centre (IDRC) Digital Library (Canada)

gprudhomme

17 mars 2014 ... ... de santé, les soins de santé primaires, la santé des mères et des enfants et la ..... général des points ci-dessous à l'étape de la manifestation d'intérêt. ..... font désormais appel à des cliniciens autres que des médecins pour.

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).

IntNetLncSim: an integrative network analysis method to infer human lncRNA functional similarity.

Science.gov (United States)

Cheng, Liang; Shi, Hongbo; Wang, Zhenzhen; Hu, Yang; Yang, Haixiu; Zhou, Chen; Sun, Jie; Zhou, Meng

2016-07-26

Increasing evidence indicated that long non-coding RNAs (lncRNAs) were involved in various biological processes and complex diseases by communicating with mRNAs/miRNAs each other. Exploiting interactions between lncRNAs and mRNA/miRNAs to lncRNA functional similarity (LFS) is an effective method to explore function of lncRNAs and predict novel lncRNA-disease associations. In this article, we proposed an integrative framework, IntNetLncSim, to infer LFS by modeling the information flow in an integrated network that comprises both lncRNA-related transcriptional and post-transcriptional information. The performance of IntNetLncSim was evaluated by investigating the relationship of LFS with the similarity of lncRNA-related mRNA sets (LmRSets) and miRNA sets (LmiRSets). As a result, LFS by IntNetLncSim was significant positively correlated with the LmRSet (Pearson correlation γ2=0.8424) and LmiRSet (Pearson correlation γ2=0.2601). Particularly, the performance of IntNetLncSim is superior to several previous methods. In the case of applying the LFS to identify novel lncRNA-disease relationships, we achieved an area under the ROC curve (0.7300) in experimentally verified lncRNA-disease associations based on leave-one-out cross-validation. Furthermore, highly-ranked lncRNA-disease associations confirmed by literature mining demonstrated the excellent performance of IntNetLncSim. Finally, a web-accessible system was provided for querying LFS and potential lncRNA-disease relationships: http://www.bio-bigdata.com/IntNetLncSim.

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.

191-IJBCS-Article-Dr A D V Ayansina

African Journals Online (AJOL)

RHUMSIKI

Effect of organic amendments on microbial biomass of a tropical soil treated with some ... A.D.V. AYANSINA and B.A. OSO / Int. J. Biol. Chem. Sci. 2(4): 417-424, 2008. 418 cultivation ... microorganisms and transformed to humic ... al., 1987). The application of organic manure (e.g. ..... J. Agric. Food Chem., 34: 746-749.

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.

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

ChemANDTM - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

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

1999-07-01

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

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.

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....

A formação do intérprete educacional e sua atuação em sala de aula

Directory of Open Access Journals (Sweden)

Luiz Cláudio Oliveira Antonio

2015-10-01

Full Text Available É fundamental contar com a participação do intérprete educacional de Língua de Sinais (LS na inclusão. Esse artigo aborda a formação e as diferentes funções dos intérpretes em contextos educacionais inclusivos. Basta ser conhecedor da LS? Isso garante ao intérprete o sucesso em sua função? É preciso também agir como mediador entre professor e os alunos surdos, buscando promover a compreensão. Nessa pesquisa foram realizadas entrevistas semiestruturadas com onze intérpretes que atuam na inclusão, buscando conhecer a formação inicial, o tempo de exercício profissional, quais as motivações e quais as funções que desempenha na sala de aula e na escola. Resultados apontam a ausência de planejamento conjunto professor-intérprete e de acesso prévio aos conteúdos apresentados em sala. Verificou-se que quando o intérprete age pedagogicamente, crianças surdas aprendem mais.

O tradutor/intérprete de língua de sinais: um mediador de fronteiras culturais

Directory of Open Access Journals (Sweden)

Izaulita César Moura

2017-01-01

Full Text Available Discute-se a importância do tradutor/intérprete de Língua de Sinais enquanto um mediador de fronteiras entre dois mundos culturais. Busca-se dar visibilidade à complexidade da tarefa do intérprete não apenas no campo da linguagem, mas também na área da subjetividade, levando em conta contribuições da Psicanálise. Partiu-se de uma pesquisa qualitativa realizada no Instituto Nacional de Educação de Surdos que abordou o tema da linguagem e subjetividade com alunos com surdez profunda. Concluiu-se que o papel social e subjetivo do intérprete de Libras precisa ser mais bem compreendido. O desafio não é apenas traduzir e informar, mas saber guardar os próprios pensamentos e sentimentos, para ser porta voz da fala, da expressão e da emoção de outra pessoa, de um sujeito que se manifesta em total alteridade. Assim, facetas menos conhecidas do papel intersubjetivo do tradutor/intérprete são apontadas.

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.

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.

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...

Comb-e-Chem: an e-science research project

OpenAIRE

Frey, Jeremy G.

2003-01-01

The background to the Comb-e-Chem e-Science pilot project funded under the UK -Science Programme is presented and the areas being addresses within chemistry and more specifically combinatorial chemistry are disucssed. The ways in which the ideas underlying the application of computer technology can improve the production, analysis and dissemination of chemical information and knowledge in a collaborative environment are discussed.

BioInt: an integrative biological object-oriented application framework and interpreter.

Science.gov (United States)

Desai, Sanket; Burra, Prasad

2015-01-01

BioInt, a biological programming application framework and interpreter, is an attempt to equip the researchers with seamless integration, efficient extraction and effortless analysis of the data from various biological databases and algorithms. Based on the type of biological data, algorithms and related functionalities, a biology-specific framework was developed which has nine modules. The modules are a compilation of numerous reusable BioADTs. This software ecosystem containing more than 450 biological objects underneath the interpreter makes it flexible, integrative and comprehensive. Similar to Python, BioInt eliminates the compilation and linking steps cutting the time significantly. The researcher can write the scripts using available BioADTs (following C++ syntax) and execute them interactively or use as a command line application. It has features that enable automation, extension of the framework with new/external BioADTs/libraries and deployment of complex work flows.

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.

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.

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.

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.

NMR experiments for the rapid identification of P=O···H-X type hydrogen bonds in nucleic acids.

Science.gov (United States)

Duchardt-Ferner, Elke; Wöhnert, Jens

2017-10-01

Hydrogen bonds involving the backbone phosphate groups occur with high frequency in functional RNA molecules. They are often found in well-characterized tertiary structural motifs presenting powerful probes for the rapid identification of these motifs for structure elucidation purposes. We have shown recently that stable hydrogen bonds to the phosphate backbone can in principle be detected by relatively simple NMR-experiments, providing the identity of both the donor hydrogen and the acceptor phosphorous within the same experiment (Duchardt-Ferner et al., Angew Chem Int Ed Engl 50:7927-7930, 2011). However, for imino and hydroxyl hydrogen bond donor groups rapidly exchanging with the solvent as well as amino groups broadened by conformational exchange experimental sensitivity is severely hampered by extensive line broadening. Here, we present improved methods for the rapid identification of hydrogen bonds to phosphate groups in nucleic acids by NMR. The introduction of the SOFAST technique into 1 H, 31 P-correlation experiments as well as a BEST-HNP experiment exploiting 3h J N,P rather than 2h J H,P coupling constants enables the rapid and sensitive identification of these hydrogen bonds in RNA. The experiments are applicable for larger RNAs (up to ~ 100-nt), for donor groups influenced by conformational exchange processes such as amino groups and for hydrogen bonds with rather labile hydrogens such as 2'-OH groups as well as for moderate sample concentrations. Interestingly, the size of the through-hydrogen bond scalar coupling constants depends not only on the type of the donor group but also on the structural context. The largest coupling constants were measured for hydrogen bonds involving the imino groups of protonated cytosine nucleotides as donors.

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...

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.

Démarche intégrée pour assurer la sécurité alimentaire et ...

International Development Research Centre (IDRC) Digital Library (Canada)

Démarche intégrée pour assurer la sécurité alimentaire et nutritionnelle aux Philippines. La malnutrition demeure un problème grave aux Philippines, notamment chez les enfants. La mise en place de programmes intégrés de nutrition et de culture potagère dans les écoles pourrait-elle contribuer à remédier à ce problème ...

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.

XII — Taux de l’intérêt, taux de l’escompte, prix de l’or

OpenAIRE

Juglar, Clément

2014-01-01

[Taux de l’intérêt à long et à court terme. — Qu’est-ce qui règle le taux de l’intérêt ? — Variations du taux de l’intérêt en France et en Angleterre. — Taux de l’escompte. Écart de prix entre les ventes à terme et les ventes au comptant. — La banque ne commandite pas le travail, elle fait circuler le crédit. — Le taux de capitalisation des rentes ne suit pas le taux de l’escompte. — Influence de la hausse de l’escompte. — Hausse de l’escompte, prix de l’or, flux et reflux des métaux précieux...

Progrès de l'intégration régionale, rôle et stratégie du Groupe de la

International Development Research Centre (IDRC) Digital Library (Canada)

mgv3643

8 déc. 2009 ... 1. Progrès de l‟Intégration Régionale,. Rôle et Stratégie du Groupe de la Banque Africaine de Développement dans la promotion de l‟intégration régionale en Afrique. Gabriel Mougani. Département NEPAD, Intégration Régionale et Commerce ...

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.

Cleanup of metals and hydrocarbons contaminated soils using the ChemTech process

International Nuclear Information System (INIS)

Stephenson, R.; Yan, V.; Lim, S.

1997-01-01

The ChemTech soil treatment process, an on-site ex-situ system, comprised of a three-phase fluidized bed to scour, emulsify and chemically leach soil contaminants into a process water, was described. The cleaned soils are then removed from the process circuit by means of a hydrodynamic classifier. At this point they are suitable for return to the excavation site. The process was demonstrated on a pilot scale in January 1997 by Klohn-Crippen Consultants at a demonstration program of emerging and innovative technologies sponsored by the Bay Area Defence Conversion Action Team (BADCAT), to assist with the remediation of twelve closing military bases in the San Francisco area. The ChemTest demonstration involved the removal of copper, chromium, lead and zinc from the Hunter Point Naval Reserve, plus treatability tests on a number of other contaminated soil samples. The ChemTech process was selected by federal and state regulatory agencies from 21 proposed technologies on the basis of performance, effectiveness, low cost, and absence of secondary environmental impacts. This paper provides details of the demonstration program, addresses the applicability of the technology to other sites, and provides cost estimates of unit cleanup costs. 3 refs., 4 tabs., 4 figs

ChemInform Abstract: The Palladium-Catalyzed Aerobic Kinetic Resolution of Secondary Alcohols: Reaction Development, Scope, and Applications.

KAUST Repository

Ebner, David C.; Bagdanoff, Jeffrey T.; Ferreira, Eric M.; McFadden, Ryan; Caspi, Daniel D.; Trend, Raissa M.; Stoltz, Brian M.

2010-01-01

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

ChemInform Abstract: The Palladium-Catalyzed Aerobic Kinetic Resolution of Secondary Alcohols: Reaction Development, Scope, and Applications.

KAUST Repository

Ebner, David C.

2010-03-30

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

Construction d’un outil pour évaluer le degré d’intégration des TIC dans l’enseignement

Directory of Open Access Journals (Sweden)

Pierre-François Coen

2006-01-01

Full Text Available Après un bref survol des enjeux liés à l’intégration des TIC dans l’enseignement, cet article présente le processus de construction d’un instrument (les Vignettes de situation pour l’intégration des TIC ou Visi-TIC destiné à évaluer le degré d’intégration des TIC dans l’enseignement. Il présente les différentes étapes d’élaboration et de validation de cet outil. Proposé en deux variantes (française/allemande pour des élèves âgés de 6 à 7 ans jusqu’à 18 ans, ce nouvel outil s’appuie sur le modèle systémique de l’innovation de Depover et Strebelle (1997, et présente l’avantage d’envisager l’intégration des TIC dans une dynamique de changement.

Does GaH5 exist?

Science.gov (United States)

Speakman, Lucas D.; Turney, Justin M.; Schaefer, Henry F.

2005-11-01

The existence or nonexistence of GaH5 has been widely discussed [N. M. Mitzel, Angew. Chem. Int. Ed. 42, 3856 (2003)]. Seven possible structures for gallium pentahydride have been systematically investigated using ab initio electronic structure theory. Structures and vibrational frequencies have been determined employing self-consistent field, coupled cluster including all single and double excitations (CCSD), and CCSD with perturbative triples levels of theory, with at least three correlation-consistent polarized-valence-(cc-pVXZ and aug-cc-pVXZ) type basis sets. The X˜A'1 state for GaH5 is predicted to be weakly bound complex 1 between gallane and molecular hydrogen, with Cs symmetry. The dissociation energy corresponding to GaH5→GaH3+H2 is predicted to be De=2.05kcalmol-1. The H-H stretching fundamental is predicted to be v =4060cm-1, compared to the tentatively assigned experimental feature of Wang and Andrews [J. Phys. Chem. A 107, 11371 (2003)] at 4087cm-1. A second Cs structure 2 with nearly equal energy is predicted to be a transition state, corresponding to a 90° rotation of the H2 bond. Thus the rotation of the hydrogen molecule is essentially free. However, hydrogen scrambling through the C2v structure 3 seems unlikely, as the activation barrier for scrambling is at least 30kcalmol-1 higher in energy than that for the dissociation of GaH5 to GaH3 and H2. Two additional structures consisting of GaH3 with a dihydrogen bond perpendicular to gallane (C3v structure 4) and an in-plane dihydrogen bond [Cs(III) structure 5] were also examined. A C3v symmetry second-order saddle point has nearly the same energy as the GaH3+H2 dissociation limit, while the Cs(III) structure 5 is a transition structure to the C3v structure. The C4v structure 6 and the D3h structure 7 are much higher in energy than GaH3+H2 by 88 and 103kcalmol-1, respectively.

Source apportionment of particulate matter in Chinese megacities: the implication for emission control strategies

Science.gov (United States)

Huang, Ru-Jin; Elser, Miriam; Wang, Qiyuan Wang; Bozzetti, Carlo; Wolf, Robert; Wang, Yichen; Ni, Haiyan; Wang, Meng; Ho, Kin-Fai; Han, Yongming; Dällenbach, Kaspar; Canonaco, Francesco; Slowik, Jay; El Haddad, Imad; Baltensperger, Urs; Cao, Junji; Prévôt, André S. H.

2015-04-01

-1036. Canonaco, F., Crippa, M., Slowik, J. G., Baltensperger, U., Prévôt, A. S. H. (2013) Atmos. Meas. Tech., 6, 3649-3661. Pöschl, U. (2005) Angew. Chem. Int. Ed., 44, 7520-7540. Hallquist, M., et al. (2009) Atmos. Chem. Phys., 9, 5155-5236. Huang, R.-J., et al. (2014) Nature 514, 218-222.

ChemSession'09 - 6. Warsaw Seminar of the PhD Students in Chemistry - Abstracts; ChemSession'09 - 6. Warszawskie Seminarium Doktorantow Chemikow - Streszczenia

Energy Technology Data Exchange (ETDEWEB)

NONE

2009-07-01

Book of Abstracts contains short descriptions of presentations 3 lectures and 105 posters presented during ChemSession'09 - 6{sup th} Warsaw Seminar of the PhD Students in Chemistry. Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also found.

ChemSession'08 - 5. Warsaw Seminar of the PhD Students in Chemistry - Abstracts; ChemSession'08 - 5. Warszawskie Seminarium Doktorantow Chemikow - Streszczenia

Energy Technology Data Exchange (ETDEWEB)

Madura, I [ed.

2008-07-01

Book of Abstracts consists of short descriptions of presentations: 5 lectures and 127 posters presented during ChemSession'08 - 5{sup th} Warsaw Seminar of the PhD Students in Chemistry. Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also found.

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

Directory of Open Access Journals (Sweden)

Phadungsukanan Weerapong

2012-08-01

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

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

Science.gov (United States)

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

2012-08-07

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

Interactive Gaussian Graphical Models for Discovering Depth Trends in ChemCam Data

Science.gov (United States)

Oyen, D. A.; Komurlu, C.; Lanza, N. L.

2018-04-01

Interactive Gaussian graphical models discover surface compositional features on rocks in ChemCam targets. Our approach visualizes shot-to-shot relationships among LIBS observations, and identifies the wavelengths involved in the trend.

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

Méthode intégro-variationnelle appliquée aux probèmes intérieur et extérieur avec surface libre de l'hydrodynamique linéaire Integro-Variational Method Applied to Indoor and Outdoor Problems with a Free Surface of Linear Hydrodinamics

Directory of Open Access Journals (Sweden)

Berhault C.

2006-11-01

Full Text Available Le but de cet article est de montrer que l'on peut appliquer une rintégro-variationnelle pour résoudre les problèmes intérieur (comportementliquide en milieu confiné et extérieur (diffraction-radiation de l'hydrodynamique linéaire. Une comparaison des résultats obtenus pour le problème intérieur dans Q les méthodes classiques : équation intégrale (singularités et formulation rationnelle (éléments finis, montre les avantages de cette méthode. The aim of this article is to show that an integro-variational method can be applied for solving interior (behavior of a liquid in a confined environment and exterior (diffraction-radiation problems of linear hydrodynamics. A comparison of the results obtained for the interior problem in IR2 with conventional methods, i.e. intégral équation (singularities and variational formulation (finite elements, shows the advantages of this method.

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....

2295-IJBCS-Article-Sylvester Okorondu

African Journals Online (AJOL)

hp

Int. J. Biol. Chem. Sci. 9(2): 1038-1049, April 2015. ISSN 1997-342X (Online), ISSN 1991-8631 (Print) .... method of generating energy (electricity) from wastewater. ..... methods applied in this work. ... Microbiologists, Environmental Engineers.

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.

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.

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.;

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

IntCal04 terrestrial radiocarbon age calibration, 0-26 cal kyr BP

NARCIS (Netherlands)

Reimer, Paula J.; Baillie, Mike G.L.; Bard, Edouard; Bayliss, Alex; Beck, J. Warren; Bertrand, Chanda J.H.; Blackwell, Paul G.; Buck, Caitlin E.; Burr, George S.; Cutler, Kirsten B.; Damon, Paul E.; Edwards, R. Lawrence; Fairbanks, Richard G.; Friedrich, Michael; Guilderson, Thomas P.; Hogg, Alan G.; Hughen, Konrad A.; Kromer, Bernd; McCormac, Gerry; Manning, Sturt; Bronk Ramsey, Christopher; Reimer, Ron W.; Remmele, Sabine; Southon, John R.; Stuiver, Minze; Talamo, Sahra; Taylor, F.W.; Plicht, Johannes van der; Weyhenmeyer, Constanze E.

2004-01-01

A new calibration curve for the conversion of radiocarbon ages to calibrated (cal) ages has been constructed and internationally ratified to replace IntCal98, which extended from 0–24 cal kyr BP (Before Present, 0 cal BP = AD 1950). The new calibration data set for terrestrial samples extends from

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

The ChemChar process

International Nuclear Information System (INIS)

Manahan, S.E.; Kinner, L.L.; Larsen, D.W.

1992-01-01

This paper reports on reverse-burn gasification is a thermochemical process that offers a number of advantages over conventional incineration for the treatment of a variety of waste materials. Patented as the ChemChar Process, reverse-burn gasification can treat wastes in the forms of solids, liquids, sludges, and soils. Waste constituents are destroyed by conversion to a combustible gas and to a dry, inert, carbonaceous solid which is either non-hazardous or can be readily mixed with cement to prevent leaching of the radioactive, toxic, or heavy metal constituents that are retained in the char residue or ash. In this way, reverse-burn gasification can be a very effective method for treating organic waste sludges containing heavy metals and mixed wastes consisting of hazardous chemicals contaminated with radioactive substances. As with any gasification waste treatment process, reverse-burn gasification offers inherent advantages in the areas of destruction efficiency and emissions control. This is because, instead of an exhaust gas that must treated to control emissions, gasification produces a combustible gas that is burned. Trace levels of contaminants are destroyed in burning the gas, and a catalyst may be employed, if necessary

Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution.

Science.gov (United States)

Volpi, Riccardo; Camilo, Ana Claudia Santos; Filho, Demetrio A da Silva; Navarrete, Juan T López; Gómez-Lor, Berta; Delgado, M Carmen Ruiz; Linares, Mathieu

2017-09-13

We have performed a multiscale approach to study the influence of peripheral substitution in the semiconducting properties of discotic liquid-crystalline triindoles. Charge carrier mobility as high as 1.4 cm 2 V -1 s -1 was experimentally reported for triindoles substituted with alkynyl chains on the periphery (Gómez-Lor et al. Angew. Chem., Int. Ed., 2011, 50, 7399-7402). In this work, our goal is to get a deeper understanding of both the molecular electronic structure and microscopic factors affecting the charge transport properties in triindoles as a function of the spacer group connecting the central cores with the external alkyl chains (i.e., alkyne or phenyl spacers groups). To this end, we first perform Quantum Mechanical (QM) calculations to assess how the peripheral substitution affects the electronic structure and the internal reorganization energy. Secondly, boxes of stacked molecules were built and relaxed through molecular dynamics to obtain realistic structures. Conformational analysis and calculations of transfer integrals for closed neighbours were performed. Our results show that the insertion of ethynyl spacers between the central aromatic core and the flexible peripheral chains results in lower reorganization energies and enhanced intermolecular order within the stacks with a preferred cofacial 60° staggered conformation, which would result in high charge-carrier mobilities in good agreement with the experimental data. This work allows a deeper understanding of charge carrier mobility in columnar phases, linking the structural order at the molecular level to the property of interest, i.e. the charge carrier mobility. We hope that this understanding will improve the design of systems at the supramolecular level aiming at obtaining a more defined conducting channel, higher mobility and smaller fluctuations within the column.

Electrochemical CO2 Reduction by Ni-containing Iron Sulfides: How Is CO2 Electrochemically Reduced at Bisulfide-Bearing Deep-sea Hydrothermal Precipitates?

International Nuclear Information System (INIS)

Yamaguchi, Akira; Yamamoto, Masahiro; Takai, Ken; Ishii, Takumi; Hashimoto, Kazuhito; Nakamura, Ryuhei

2014-01-01

The discovery of deep-sea hydrothermal vents on the late 1970's has led to many hypotheses concerning chemical evolution in the prebiotic ocean and the early evolution of energy metabolism in ancient Earth. Such studies stand on the quest for the bioenergetic evolution to utilize reducing chemicals such as H 2 for CO 2 reduction and carbon assimilation. In addition to the direct reaction of H 2 and CO 2 , the electrical current passing across a bisulfide-bearing chimney structure has pointed to the possible electrocatalytic CO 2 reduction at the cold ocean-vent interface (R. Nakamura, et al. Angew. Chem. Int. Ed. 2010, 49, 7692 − 7694). To confirm the validity of this hypothesis, here, we examined the energetics of electrocatalytic CO 2 reduction by iron sulfide (FeS) deposits at slightly acidic pH. Although FeS deposits inefficiently reduced CO 2 , the efficiency of the reaction was substantially improved by the substitution of Fe with Ni to form FeNi 2 S 4 (violarite), of which surface was further modified with amine compounds. The potential-dependent activity of CO 2 reduction demonstrated that CO 2 reduction by H 2 in hydrothermal fluids was involved in a strong endergonic electron transfer reaction, suggesting that a naturally occurring proton-motive force (PMF) as high as 200 mV would be established across the hydrothermal vent chimney wall. However, in the chimney structures, H 2 generation competes with CO 2 reduction for electrical current, resulting in rapid consumption of the PMF. Therefore, to maintain the PMF and the electrosynthesis of organic compounds in hydrothermal vent mineral deposits, we propose a homeostatic pH regulation mechanism of FeS deposits, in which elemental hydrogen stored in the hydrothermal mineral deposits is used to balance the consumption of the electrochemical gradient by H 2 generation

Partial enthalpies of Bi and Te in Bi-Te melts and of In and Te in In-Te melts

International Nuclear Information System (INIS)

Yassin, Abeer; Amzil, Abdelhamid; Castanet, Robert

2000-01-01

Full text.Calorimetric measurement are reported which allow the enthalpic behaviour of Bi-Te melts to be established. Further work is required, however, to supplement results obtained for In-Te melts. The partial enthalpies of bismuth and tellurium in the Bi-Te melts at 755K and those of indium and tellurium in the In-Te melts at 1010 and 987K were measured at high dilution by direct reaction calorimetry (drop method) with the help of a Tian-Calvet calorimeter. The limiting partial enthalpies of the components were deduced by extrapolation at infinite dilution: Δh f,∞ B i(755K)/KJ.mol -1 = -34.0 and Δh f,∞ Te(755K) /KJ·mol -1 = -24.1 in the Bi-Te melts Δh f,∞ In(1010K) /KJ·mol -1 = -75.9 and Δh f,∞ Te(1010K) /KJ·mol -1 = -47.8 in the In-Te melts Δh f,∞ In(987K) /KJ·mol -1 = -75.2 and Δh f,∞ Te(987K) /KJ·mol -1 = -48.0 in the In-Te melts

Campylobacter jejuni induces diverse kinetics and profiles of cytokine genes in INT-407 cells

International Nuclear Information System (INIS)

Al-Amri, Ahlam I.; Bakhiet, Moiz O.; Botta, Giuseppe A.; Tabbara, Khaled S.; Ismaeel, Abdelrahman Y.; Al-Mahmeed, Ali E.; Bin Danya, Khalid M.

2008-01-01

Objective was to examine the kinetic ability of embryonic human epithelial INT-407 cells to express messenger ribonucleic acid (mRNA) for various cytokines and chemokines in response to Campylobacter jejuni (C. jejuni) stimulation. In an experimental single-blind study, cultured embryonic human epithelial INT-407 cells were treated with different concentrations of viable C. jejuni, its sonicated and filtered supernatant. A modified non-radioactive in situ hybridization using probe cocktails was used to measure mRNA levels for the pro-inflammatory cytokines interleukin (IL)-1beta, IL-6, interferon-gamma, tumor necrosis factor (TNF)-alpha, transforming growth factor (TGF)-beta1 and IL-8 and the anti-inflammatory cytokines, IL-4 and IL-10. The study was carried out from September 2005 to March 2007 at the Department of Microbiology, Immunology and Infectious Diseases, College of Medicine and Medical Sciences, Arabian Gulf University, Bahrain. Viable C. jejuni sonicated bacteria and filtered supernatant induced high mRNA expression for the pro-inflammatory cytokines IL-1 beta, IL-6, IFN-gama, TNF-alpha, TGF-beta and IL-8 which peaked at the 12 hours post stimulation. Anti-inflammatory cytokine IL-4 and IL-10 mNRA expression were induced maximally at 3 hours post stimulation mainly by sonicated bacteria and filtrated supernatant, however, not with living bacteria and filtrated supernatant, however, not with living bacteria. Untreated embryonic human epithelial INT-407 cells expressed low amount of mNRA for the various cytokines and chemokines at all time points. For each cytokine, 4 samples were used per time hour. This study demonstrated that embryonic human epithelial INT-407 cells in response to viable C. jejuni or its cytotxins can alter cytokine and chemokine mNRA expression patterns and kinetics suggesting a potential role for these mediators in the immunopathogenesis of the infection caused by this pathogen, which might be relevant for future immunotherapeutic

Development of a Grid-Independent Geos-Chem Chemical Transport Model (v9-02) as an Atmospheric Chemistry Module for Earth System Models

Science.gov (United States)

Long, M. S.; Yantosca, R.; Nielsen, J. E; Keller, C. A.; Da Silva, A.; Sulprizio, M. P.; Pawson, S.; Jacob, D. J.

2015-01-01

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been re-engineered to also serve as an atmospheric chemistry module for Earth system models (ESMs). This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of the GEOSChem scientific code, permitting the exact same GEOSChem code to be used as an ESM module or as a standalone CTM. In this manner, the continual stream of updates contributed by the CTM user community is automatically passed on to the ESM module, which remains state of science and referenced to the latest version of the standard GEOS-Chem CTM. A major step in this re-engineering was to make GEOS-Chem grid independent, i.e., capable of using any geophysical grid specified at run time. GEOS-Chem data sockets were also created for communication between modules and with external ESM code. The grid-independent, ESMF-compatible GEOS-Chem is now the standard version of the GEOS-Chem CTM. It has been implemented as an atmospheric chemistry module into the NASA GEOS- 5 ESM. The coupled GEOS-5-GEOS-Chem system was tested for scalability and performance with a tropospheric oxidant-aerosol simulation (120 coupled species, 66 transported tracers) using 48-240 cores and message-passing interface (MPI) distributed-memory parallelization. Numerical experiments demonstrate that the GEOS-Chem chemistry module scales efficiently for the number of cores tested, with no degradation as the number of cores increases. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemistry module means that the relative cost goes down with increasing number of cores in a massively parallel environment.

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.

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.

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

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

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.

HExpoChem: a systems biology resource to explore human exposure to chemicals

DEFF Research Database (Denmark)

Taboureau, Olivier; Jacobsen, Ulrik Plesner; Kalhauge, Christian Gram

2013-01-01

of computational biology approaches are needed to assess the health risks of chemical exposure. Here we present HExpoChem, a tool based on environmental chemicals and their bioactivities on human proteins with the objective of aiding the qualitative exploration of human exposure to chemicals. The chemical...

The performance of the 'CentrifiChem' parallel fast analyser using packaged reagents.

Science.gov (United States)

Henry, P; Saunders, R A

1975-05-01

The CentrifiChem system was used with packaged reagent kits for the following determinations: albumin, alanine and aspartate aminotransferases, creatinine, glucose, and alpha-hydroxybutyrate and lactate dehydrogenases. The linearity obtainable for each assay was investigated, and particular attention was paid to finding the most suitable instrument settings.

Exon sequence requirements for excision in vivo of the bacterial group II intron RmInt1

Directory of Open Access Journals (Sweden)

Toro Nicolás

2011-05-01

Full Text Available Abstract Background Group II intron splicing proceeds through two sequential transesterification reactions in which the 5' and 3'-exons are joined together and the lariat intron is released. The intron-encoded protein (IEP assists the splicing of the intron in vivo and remains bound to the excised intron lariat RNA in a ribonucleoprotein particle (RNP that promotes intron mobility. Exon recognition occurs through base-pairing interactions between two guide sequences on the ribozyme domain dI known as EBS1 and EBS2 and two stretches of sequence known as IBS1 and IBS2 on the 5' exon, whereas the 3' exon is recognized through interaction with the sequence immediately upstream from EBS1 [(δ-δ' interaction (subgroup IIA] or with a nucleotide [(EBS3-IBS3 interaction (subgroup IIB and IIC] located in the coordination-loop of dI. The δ nucleotide is involved in base pairing with another intron residue (δ' in subgroup IIB introns and this interaction facilitates base pairing between the 5' exon and the intron. Results In this study, we investigated nucleotide requirements in the distal 5'- and 3' exon regions, EBS-IBS interactions and δ-δ' pairing for excision of the group IIB intron RmInt1 in vivo. We found that the EBS1-IBS1 interaction was required and sufficient for RmInt1 excision. In addition, we provide evidence for the occurrence of canonical δ-δ' pairing and its importance for the intron excision in vivo. Conclusions The excision in vivo of the RmInt1 intron is a favored process, with very few constraints for sequence recognition in both the 5' and 3'-exons. Our results contribute to understand how group II introns spread in nature, and might facilitate the use of RmInt1 in gene targeting.

2435-IJBCS-Article-Chimezie Ekeke Josephine

African Journals Online (AJOL)

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there are similarities and variations in the shape, number and size of vascular bundles, nature of epidermis, ... C. EKEKE et al. / Int. J. Biol. Chem. Sci. 9(4): 1875-1887, 2015. 1876. (Okoli, 2013). ... various parts of Nigeria were used for this.

1835-IJBCS-Article-Hermann Desiré Mbouabda

African Journals Online (AJOL)

hp

Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. Sci. ... natural fertilizers to increase Irish potato yield, we assessed the use of ..... matter in the Bokashi as well as in the soil ... prevent molecular damage and damage by.

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)

La ansiedad escénica en intérpretes musicales chilenos

Directory of Open Access Journals (Sweden)

Mimí Marinovic

2006-06-01

Full Text Available La ansiedad escénica (AE es uno de los mayores problemas del ejercicio profesional de los intérpretes musicales. Encuestas realizadas en países desarrollados revelan cifras de prevalencia entre 24% -70% y citan casos severos, causantes del abandono de la carrera. Objetivos: detectar la prevalencia de la AE en músicos chilenos que desempeñan su profesión en los principales conjuntos de música de concierto y determinar algunos de los factores que, a su juicio, influyen en su aparición. Método: 249 intérpretes (122 instrumentistas, 26 directores y 101 cantantes respondieron un cuestionario autoaplicado, incluido en una investigación más amplia sobre los intérpretes de arte. Este instrumento fue complementado con 36 entrevistas abiertas (13 instrumentistas, 6 directores y 11 cantantes. Resultados: el 78% de los músicos estudiados admitió haber sufrido AE, más mujeres que varones. El 64% consideró que ella se relaciona principalmente con la tarea a ejecutar (preparación insuficiente, dificultad de la obra, mientras que el 32% lo atribuyó a factores personales (ser nervioso, temor al fracaso y sólo el 4% a factores situacionales. Hubo diferencias significativas por género, especialidad y edad. Las entrevistas permitieron profundizar acerca del alcance de estos resultados. Conclusiones: se constató una alta prevalencia de AE, la cual debiera ser abordada interdisciplinariamente por especialistas de la salud mental y la música en beneficio de la educación general, la formación especializada y el desarrollo profesional de los intérpretes musicalesPerformance anxiety (PA is one of the major problems that musicians face in their careers. Surveys carried out in developed countries show prevalence figures ranging 24% -70% and quote severe cases leading to abandonment of the profession. Objectives: detect the prevalence of PA in Chilean musicians working in the main groups of concert music and determine some of the factors that

Mixed waste treatment using the ChemChar thermolytic detoxification technique

Energy Technology Data Exchange (ETDEWEB)

Kuchynka, D. [Mirage Systems, Sunnyvale, CA (United States)

1995-10-01

The diversity of mixed waste matrices contained at Department of Energy sites that require treatment preclude a single, universal treatment technology capable of handling sludges, solids, heterogeneous debris, aqueous and organic liquids and soils. This report describes the ChemChar thermolytic detoxification process. The process is a thermal, chemically reductive technology that converts the organic portion of mixed wastes to a synthesis gas, while simultaneously absorbing volatile inorganics on a carbon-based char.

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

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...

Programme intégré de lutte contre le paludisme en Afrique ...

International Development Research Centre (IDRC) Digital Library (Canada)

Le paludisme demeure le plus grand facteur de morbidité et de mortalité dans ... sur le système de santé (diagnostic, gestion et prévention des cas), de mesures ... la recherche visant à comprendre la dynamique sociétale et environnementale ... Rapport technique final Écosanté / le contrôle intégré du paludisme basé sur ...

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

Fuels and Combustion Technologies for Aerospace Propulsion

Science.gov (United States)

2016-09-01

technology, it has been extensively investigated since the late 1980s. Mudawar and (1) Cader, T.; Westra, L. J.; Eden, R. C. IEEE Trans. Device Mater...of this research will be useful for (11) Mudawar , I.; Estes, K. A. J. Heat Transfer 1996, 118, 672–679. (12) Horacek, B.; Kiger, K. T.; Kim, J. Int. J...Lunkad, S. F.; Buwa, V. V.; Nigam, K. D. P. Chem. Eng. Sci. 2007, 62, 7214–7224. (18) Bernardin, J. D.; Stebbins, C. J.; Mudawar , I. Int. J. Heat

2278-IJBCS-Article-Nanfack Minkeu Ferdinand

African Journals Online (AJOL)

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Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. Sci. 9(3): 1630-1643, ..... (Ferrer, 2003; Pimentel, 2005; Meeker et al.,. 2008; Zeinab et ..... Collado A, Stevenson J, Scaife S,. Dafa'alla T, Fu G, .... Kisinza W, David J-P. 2014.

Ultraviolet spectroscopic evaluation of bioactive saponin fraction ...

African Journals Online (AJOL)

This study was to evaluate and characterize the saponin principles, using chromatographic and ..... triterpenoids, reducing sugars, amino acids, flavonoids, ..... blood glucose levels of diabetic rats. Int. J. Biol. Chem. ... homeostatic plants in Edo and Delta. States of ... mellitus: Systematic review and meta- analysis. BMJ,.

Aerosol comparisons between sunphotometry / sky radiometry and the GEOS-Chem model

Science.gov (United States)

Chaubey, J. P.; Hesaraki, S.; O'Neill, N. T.; Saha, A.; Martin, R.; Lesins, G. B.; Abboud, I.

2014-12-01

Comparisons of aerosol optical depth (AOD), spectral AOD parameters and microphysical parameters derived from AEROCAN / AERONET sunphotometer / sky radiometer data acquired over Canada were compared with GEOS-Chem (Geos5,v9-01-03) estimations. The Canadian sites were selected so as to encompass a representative variety of different aerosol types ranging from fine mode (submicron) pollution and smoke aerosols, coarse mode (supermicron) dust, fine and coarse mode marine aerosols, volcanic (fine mode) sulfates and volcanic (coarse mode) ash, etc). A particular focus was placed on comparisons at remote Canadian sites with a further focus on Arctic sites. The analysis included meteorological-scale event comparisons as well as seasonal and yearly comparisons on a climatological scale. The investigations were given a further aerosol type context by comparing optical retrievals of fine and coarse mode AOD with the AODs of the different aerosol types predicted by GEOS-Chem. The effects of temporal and spectral cloud screening of the sunphotometer data on the quality and robustness of these comparisons was the object of an important supporting investigation. The results of this study will be presented for a 3 year period from 2009 to 2011.

L'intégration des plantes médicinales en Inde | IDRC - International ...

International Development Research Centre (IDRC) Digital Library (Canada)

3 févr. 2011 ... Un nouveau programme lancé par le gouvernement de l'Inde pour intégrer les plantes médicinales aux pratiques médicales traditionnelles et aux moyens de subsistance habituels pourrait être une source de revenus pour les villageois qui en font la cueillette et rendre leur utilisation plus sécuritaire.

MetrIntSimil—An Accurate and Robust Metric for Comparison of Similarity in Intelligence of Any Number of Cooperative Multiagent Systems

Directory of Open Access Journals (Sweden)

Laszlo Barna Iantovics

2018-02-01

Full Text Available Intelligent cooperative multiagent systems are applied for solving a large range of real-life problems, including in domains like biology and healthcare. There are very few metrics able to make an effective measure of the machine intelligence quotient. The most important drawbacks of the designed metrics presented in the scientific literature consist in the limitation in universality, accuracy, and robustness. In this paper, we propose a novel universal metric called MetrIntSimil capable of making an accurate and robust symmetric comparison of the similarity in intelligence of any number of cooperative multiagent systems specialized in difficult problem solving. The universality is an important necessary property based on the large variety of designed intelligent systems. MetrIntSimil makes a comparison by taking into consideration the variability in intelligence in the problem solving of the compared cooperative multiagent systems. It allows a classification of the cooperative multiagent systems based on their similarity in intelligence. A cooperative multiagent system has variability in the problem solving intelligence, and it can manifest lower or higher intelligence in different problem solving tasks. More cooperative multiagent systems with similar intelligence can be included in the same class. For the evaluation of the proposed metric, we conducted a case study for more intelligent cooperative multiagent systems composed of simple computing agents applied for solving the Symmetric Travelling Salesman Problem (STSP that is a class of NP-hard problems. STSP is the problem of finding the shortest Hamiltonian cycle/tour in a weighted undirected graph that does not have loops or multiple edges. The distance between two cities is the same in each opposite direction. Two classes of similar intelligence denoted IntClassA and IntClassB were identified. The experimental results show that the agent belonging to IntClassA intelligence class is less

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

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.;

ChemProt: a disease chemical biology database

DEFF Research Database (Denmark)

Taboureau, Olivier; Nielsen, Sonny Kim; Audouze, Karine Marie Laure

2011-01-01

Systems pharmacology is an emergent area that studies drug action across multiple scales of complexity, from molecular and cellular to tissue and organism levels. There is a critical need to develop network-based approaches to integrate the growing body of chemical biology knowledge with network...... biology. Here, we report ChemProt, a disease chemical biology database, which is based on a compilation of multiple chemical-protein annotation resources, as well as disease-associated protein-protein interactions (PPIs). We assembled more than 700 000 unique chemicals with biological annotation for 30...... evaluation of environmental chemicals, natural products and approved drugs, as well as the selection of new compounds based on their activity profile against most known biological targets, including those related to adverse drug events. Results from the disease chemical biology database associate citalopram...

Intéresser les jeunes à la chose publique | CRDI - Centre de ...

International Development Research Centre (IDRC) Digital Library (Canada)

22 oct. 2010 ... Les gouvernements ont tout intérêt à faire appel à la solidarité naturelle des jeunes en les consultant et en les amenant à participer aux processus de prise ... Dans un pays comme dans l'autre, cependant, les jeunes votent peu, et ce, en dépit du vote obligatoire au Brésil (au risque d'être mis à l'amende) et ...

Application de la gestion intégrale de l'innovation dans les petites et ...

International Development Research Centre (IDRC) Digital Library (Canada)

'application d'un cadre de gestion intégrale de l'innovation destiné exclusivement aux PME. Les capacités de recherche et de mise en oeuvre seront améliorées au moyen d'une formation aux cycles supérieurs ou d'une autre nature.

Nanoplatforms for Detection, Remediation and Protection Against Chem-Bio Warfare

Science.gov (United States)

Denkbaş, E. B.; Bayram, C.; Kavaz, D.; Çirak, T.; Demirbilek, M.

Chemical and biological substances have been used as warfare agents by terrorists by varying degree of sophistication. It is critical that these agents be detected in real-time with high level of sensitively, specificity, and accuracy. Many different types of techniques and systems have been developed to detect these agents. But there are some limitations in these conventional techniques and systems. Limitations include the collection, handling and sampling procedures, detection limits, sample transfer, expensive equipment, personnel training, and detection materials. Due to the unique properties such as quantum effect, very high surface/volume ratio, enhanced surface reactivity, conductivity, electrical and magnetic properties of the nanomaterials offer great opportunity to develop very fast, sensitive, accurate and cost effective detection techniques and systems to detect chemical and biological (chem.-bio) warfare agents. Furthermore, surface modification of the materials is very easy and effective way to get functional or smart surfaces to be used as nano-biosensor platform. In that respect many different types of nanomaterials have been developed and used for the detection, remediation and protection, such as gold and silver nanoparticles, quantum dots, Nano chips and arrays, fluorescent polymeric and magnetic nanoparticles, fiber optic and cantilever based nanobiosensors, nanofibrillar nanostructures etc. This study summarizes preparation and characterization of nanotechnology based approaches for the detection of and remediation and protection against chem.-bio warfare agents.

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.

2013-IJBCS-Article-Edem Kolodzi

African Journals Online (AJOL)

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Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. Sci. .... The process often used in platforms is .... things” (e.g., Cu, Zn) and the “non-main things” (e.g., Ni, Pb, Cd). .... quality compost and selling carbon credits thus generated ...

1568-IJBCS-Article-Mohamed Soumanou

African Journals Online (AJOL)

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Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. ... Les indices d'acide, de peroxyde et de réfraction des différents échantillons de beurre ont été ...... Exporting quality and quantity. ... Kapseu C, Mbiapo FT, Linder M, Fanni.

Second derivative spectrophotometric determination of ...

African Journals Online (AJOL)

Hemn

2013-11-13

Nov 13, 2013 ... olanzapine in pharmaceutical formulation.Int.J.ChemTech. Res.2(1):756-761. Stanisz B, Paszun S, Lesniak M (2009). Validation of UV derivative spectrophotometric method for determination of benazepril hydrochloride in tablets and evaluation of its stability.ActaPoloniaePharmaceutica-Drug Research.

A Case Study in Competitive Technical and Market Intelligence Support and Lessons Learned for the uChemLab LDRD Grand Challenge Project; TOPICAL

International Nuclear Information System (INIS)

SOUTHWELL, EDWIN T.; GARCIA, MARIE L.; MEYERS, CHARLES E.

2001-01-01

The(mu)ChemLab(trademark) Laboratory Directed Research and Development (LDRD) Grand Challenge project began in October 1996 and ended in September 2000. The technical managers of the(mu)ChemLab(trademark) project and the LDRD office, with the support of a consultant, conducted a competitive technical and market demand intelligence analysis of the(mu)ChemLab(trademark). The managers used this knowledge to make project decisions and course adjustments. CTI/MDI positively impacted the project's technology development, uncovered potential technology partnerships, and supported eventual industry partner contacts. CTI/MDI analysis is now seen as due diligence and the(mu)ChemLab(trademark) project is now the model for other Sandia LDRD Grand Challenge undertakings. This document describes the CTI/MDI analysis and captures the more important ''lessons learned'' of this Grand Challenge project, as reported by the project's management team

Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Methods Comparaison des valeurs de pKa de quelques acides aminés, dipeptides et tripeptides, prédites en utilisant les méthodes COSMO-RS, ChemAxon et ACD/Labs

Directory of Open Access Journals (Sweden)

Toure O.

2013-05-01

données internes contenant des structures chimiques ainsi que leurs valeurs expérimentales de pKa. L’écart-type moyen des valeurs prédites vaut respectivement 0,596 pour la méthode COSMO-RS, 0,445 pour la méthode ChemAxon et 0,490 pour la méthode ACD/Labs. Au vu de ces résultats, la méthode COSMO-RS apparaît comme une méthode prometteuse pour prédire les valeurs de pKa de molécules d’intérêt dans l’industrie alimentaire pour lesquelles peu de données de pKa sont disponibles comme les peptides, d’autant plus que les méthodes ACD/Labs et ChemAxon ont été paramétrées en utilisant un grand nombre de données expérimentales (incluant certaines des molécules étudiées dans cet article alors que la méthode COSMO-RS a été utilisée d’un point de vue purement prédictif. L’objectif final de cette étude est d’utiliser ces valeurs de pKa dans un modèle thermodynamique prédictif pour des produits d’intérêt dans l’industrie alimentaire. Pour ce faire, les effets de certains facteurs (comme le traitement des conformations dans les calculs COSMO-RS,l’infuence de la force ionique pouvant influencer la comparaison entre les données expérimentales et les données prédites, seront discutés.

diversité des pratiques d'intégration agriculture – élevage

African Journals Online (AJOL)

BOL BI

Dans le sud la région de Maradi, l'agriculture et l'élevage sont les deux principales activités socio-économiques qui occupent environ 95% de la population. Ces activités sont pratiquées de façon intégrée dans un contexte de très forte pression démographique (plus de 70 habitants/km²). Pour comprendre les pratiques ...

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

L'intégration des accélérateurs du CERN

CERN Document Server

Chemli, S; CERN. Geneva. TS Department

2008-01-01

L?intégration du LHC a ouvert des perspectives pour une gestion plus complète des accélérateurs du CERN. La base de données LAYOUT a permis d'assurer la continuité des phases de définition optique du projet, d'intégration 3D et de contrôles de conformité des installations. Les scans et modélisations 3D en couches des installations réalisées constituent un outil déterminant pour la préparation des interventions dans le cadre des procédures de sécurité ALARA. Il est proposé de reproduire cette méthodologie pour les nouveaux projets comme pour les accélérateurs existants. La mise à jour de l'anneau SPS dans LAYOUT semble être la priorité. La base de données SURVEY contient déjà une vue d'ensemble des accélérateurs, chaque composant étant référencé dans le Système de Coordonnées du CERN, selon les définitions théoriques "sources" au 1/100 mm. Base pour l'alignement, elle stocke également les positions réelles des machines. Elle complète ainsi l'information linéaire de LAY...

El intérprete de Lengua de Signos en el ámbito educativo: problemática y propuestas de mejora

Directory of Open Access Journals (Sweden)

Marina Uría Fernández

2017-01-01

Full Text Available La figura del intérprete de Lengua de Signos es un recurso en el aprendizaje de los alumnos con discapacidad auditiva que contribuye al desarrollo de la experiencia bilingüe en los centros educativos españoles. Este estudio se centra en la figura del intérprete de Lengua de Signos como pieza fundamental en el entorno de aprendizaje del alumnado sordo en la Comunidad Autónoma de Castilla y León. El objetivo general del estudio es analizar los factores que obstaculizan y facilitan la labor del intérprete en los centros educativos de Castilla y León. Se ha utilizado una metodología de corte cualitativo de exploración descriptiva y evaluativa orientada a la decisión, utilizando el análisis DAFO para la interpretación de los resultados obtenidos. La muestra de este estudio ha estado constituida por diez intérpretes de Lengua de Signos que ejercían su profesión en centros públicos de Castilla y León durante el curso académico 2013/2014, seleccionados a través de la técnica cualitativa de informantes clave. Los resultados obtenidos destacan el desconocimiento del profesional intérprete de Lengua de Signos por parte de la comunidad educativa, la falta de criterios normativos que regulen equitativamente la participación de este profesional en el centro, y finalmente, la necesidad de una mayor integración de esta figura en el ámbito educativo para mejorar la calidad de la experiencia bilingüe de los alumnos sordos. Algunas de las propuestas más relevantes para superar los puntos débiles y potenciar los puntos fuertes identificados en el estudio son potenciar el trabajo en equipo entre todos los agentes educativos y sociales, la sensibilización y asesoramiento de toda la comunidad educativa y el desarrollo de estrategias individualizadas y adaptadas a las necesidades de cada uno de estos alumnos.

Functional Analysis of the Beclin-1 Tumor Suppressor Interaction with hVps34 (Type-III P13’-kinase) in Breast Cancer Cells

Science.gov (United States)

2008-06-01

Methods for monitoring autophagy. Int.J Biochem.Cell Biol., 36: 2491-2502, 2004. 13. Scarlatti , F., Bauvy, C., Ventruti, A., Sala, G., Cluzeaud, F...J.Biol.Chem., 279: 18384-18391, 2004. 14. Scarlatti , F., Maffei, R., Beau, I., Codogno, P., and Ghidoni, R. Role of non-canonical Beclin 1- independent

1735-IJBCS-Article-Ladoh Christelle Flora

African Journals Online (AJOL)

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Int. J. Biol. Chem. Sci. 7(3): 924-937, 2013. 937. Predatory. Behavior. Functional. Ecosystems and Communities, Global. Science Books, 1: 105-120. Dejean A, Giberneau M. 2000. A rainforest ant mosaic: the edge effect. Sociobiology,. 35: 385-401. Dejean A, Nkongmeneck B, Corbara B,. Djieto-Lordon C. 1991. Impact des.

552-IJBCS-Article-Dr Nana Sarfo A. Derkyi

African Journals Online (AJOL)

DR GATSING

N. S.A. DERKYI et al. / Int. J. Biol. Chem. Sci. 4(3): 616-623, 2010. 617 produce. Cowpea grains are damaged in storage by the cowpea storage weevil. Callosobruchus maculatus (Fabricious –. Coleoptera: Bruchidae). If the insects are not effectively controlled, grain damage could reach 100%. Grains heavily damaged by.

INT (2-(4-Iodophenyl)-3-(4-Nitrophenyl)-5-(Phenyl) Tetrazolium Chloride) Is Toxic to Prokaryote Cells Precluding Its Use with Whole Cells as a Proxy for In Vivo Respiration.

Science.gov (United States)

Villegas-Mendoza, Josué; Cajal-Medrano, Ramón; Maske, Helmut

2015-11-01

Prokaryote respiration is expected to be responsible for more than half of the community respiration in the ocean, but the lack of a practical method to measure the rate of prokaryote respiration in the open ocean resulted in very few published data leaving the role of organotrophic prokaryotes open to debate. Oxygen consumption rates of oceanic prokaryotes measured with current methods may be biased due to pre-incubation size filtration and long incubation times both of which can change the physiological and taxonomic profile of the sample during the incubation period. In vivo INT reduction has been used in terrestrial samples to estimate respiration rates, and recently, the method was introduced and applied in aquatic ecology. We measured oxygen consumption rates and in vivo INT reduction to formazan in cultures of marine bacterioplankton communities, Vibrio harveyi and the eukaryote Isochrysis galbana. For prokaryotes, we observed a decrease in oxygen consumption rates with increasing INT concentrations between 0.05 and 1 mM. Time series after 0.5 mM INT addition to prokaryote samples showed a burst of in vivo INT reduction to formazan and a rapid decline of oxygen consumption rates to zero within less than an hour. Our data for non-axenic eukaryote cultures suggest poisoning of the eukaryote. Prokaryotes are clearly poisoned by INT on time scales of less than 1 h, invalidating the interpretation of in vivo INT reduction to formazan as a proxy for oxygen consumption rates.

iNR-PhysChem: a sequence-based predictor for identifying nuclear receptors and their subfamilies via physical-chemical property matrix.

Directory of Open Access Journals (Sweden)

Xuan Xiao

Full Text Available Nuclear receptors (NRs form a family of ligand-activated transcription factors that regulate a wide variety of biological processes, such as homeostasis, reproduction, development, and metabolism. Human genome contains 48 genes encoding NRs. These receptors have become one of the most important targets for therapeutic drug development. According to their different action mechanisms or functions, NRs have been classified into seven subfamilies. With the avalanche of protein sequences generated in the postgenomic age, we are facing the following challenging problems. Given an uncharacterized protein sequence, how can we identify whether it is a nuclear receptor? If it is, what subfamily it belongs to? To address these problems, we developed a predictor called iNR-PhysChem in which the protein samples were expressed by a novel mode of pseudo amino acid composition (PseAAC whose components were derived from a physical-chemical matrix via a series of auto-covariance and cross-covariance transformations. It was observed that the overall success rate achieved by iNR-PhysChem was over 98% in identifying NRs or non-NRs, and over 92% in identifying NRs among the following seven subfamilies: NR1--thyroid hormone like, NR2--HNF4-like, NR3--estrogen like, NR4--nerve growth factor IB-like, NR5--fushi tarazu-F1 like, NR6--germ cell nuclear factor like, and NR0--knirps like. These rates were derived by the jackknife tests on a stringent benchmark dataset in which none of protein sequences included has ≥60% pairwise sequence identity to any other in a same subset. As a user-friendly web-server, iNR-PhysChem is freely accessible to the public at either http://www.jci-bioinfo.cn/iNR-PhysChem or http://icpr.jci.edu.cn/bioinfo/iNR-PhysChem. Also a step-by-step guide is provided on how to use the web-server to get the desired results without the need to follow the complicated mathematics involved in developing the predictor. It is anticipated that iNR-PhysChem may

ConfChem Conference on Flipped Classroom: Using a Blog to Flip a Classroom

Science.gov (United States)

Haile, January D.

2015-01-01

This communication summarizes one of the invited papers to the Flipped Classroom ACS Division of Chemical Education Committee on Computers in Chemical Education online ConfChem held from May 18 to June 24, 2014. Just in Time Teaching is a technique in which students read the material before class and respond to a few questions. In a first-year…

Création d'outils pour la mesure de l'intégration des technologies de ...

International Development Research Centre (IDRC) Digital Library (Canada)

... dont les technologies de l'information et de la communication (TIC) sont intégrées en classe. ... Colombia, Mexico, Peru, Uruguay. Project Leader. Susana Martínez Restrepo. Institution. Fundación para la Educación Superior y el Desarrollo.

Facteurs associés à l’intégration stratégique des TIC par le personnel enseignant

OpenAIRE

Busana, Gilbert

2001-01-01

Ce mémoire porte sur les facteurs qui incitent le personnel enseignant à faire une intégration stratégique des TIC1. Nous avons remarqué qu’une partie des enseignants et des enseignantes, en faible proportion, réussissent à faire une telle intégration, et qu’une partie n’en font pas. L’objectif de cette recherche est d’identifier les facteurs qui tendent à avoir une influence sur ce phénomène, ainsi que de saisir leur rôle et de comprendre comment ils opèrent. Dans une premiè...

Pour que l'exploitation minière marche : intégrer des petits mineurs ...

International Development Research Centre (IDRC) Digital Library (Canada)

31 janv. 2011 ... Pour que l'exploitation minière marche : intégrer des petits mineurs pauvres dans ... ou reconnaissance de l'État est le mode de vie d'environ 13 millions de ... Selon l'Organisation internationale du travail (OIT), entre 11 et 13 millions ... mineurs subissent des discriminations et n'ont accès qu'aux parties les ...

Intégration régionale, commerce et essor du secteur privé (Namibie ...

International Development Research Centre (IDRC) Digital Library (Canada)

Intégration régionale, commerce et essor du secteur privé (Namibie). La Namibie aspire à atteindre un niveau de vie comparable à celui des pays développés d'ici 2030. Le Namibian Economic Policy Research Unit (NEPRU), le principal institut de recherche sur la politique économique du pays, a pour mandat d'aider le ...

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.

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.

Att sluta eller inte sluta : En litteraturstudie om tobaksavvänjningsmetoder

OpenAIRE

Bjellman, Karin

2007-01-01

Att sluta eller inte sluta? En litteraturstudie om tobaksavvänjningsmetoder Bjellman, K. Tobaksbruket har en lång historia, och de tobaksrelaterade sjukdomarna kostar samhället miljarder i sjukvårdskostnader och produktionsbortfall varje år. Andelen rökare minskar stadigt i Sverige, idag röker ca 15 procent av befolkningen. Resultaten från olika metoder för tobaksavvänjning är tämligen blygsamma, och ugefär nittio procent av de som slutar röka gör det på egen hand. Syftet med denna studie var...

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

Géohistoire de la Nouvelle-Zélande: unité territoriale et intégration à l’espace-monde

Directory of Open Access Journals (Sweden)

François Cognard

2012-03-01

Full Text Available Tout au long de son histoire, la société néo-zélandaise s'est efforcée de nouer des liens avec le monde extérieur tout en maintenant l'intégrité de son territoire multi-insulaire. Selon une perspective privilégiant le temps long, cet article décrit les spécificités physiques et humaines de l'archipel du Pacifique sud ainsi que son processus d'intégration à l'économie monde. Une approche qui, à l'aide de la modélisation graphique, souligne l'originalité des dynamiques spatiales du territoire national caractérisées par l'opposition entre ses deux principales îles.

Calibration of the Fluorine, Chlorine and Hydrogen Content of Apatites With the ChemCam LIBS Instrument

Science.gov (United States)

Meslin, P.-Y.; Cicutto, L.; Forni, O.; Drouet, C.; Rapin, W.; Nachon, M.; Cousin, A.; Blank, J. G.; McCubbin, F. M.; Gasnault, O.;

Local first integrals for systems of differential equations

International Nuclear Information System (INIS)

Zhang Xiang

2003-01-01

The main purpose of this paper is to provide some sufficient conditions for a system of differential equations to have local first integrals in a certain neighbourhood of a singularity. Our results generalize those given in Kwek et al (2003 Z. Angew. Math. Phys. 54 26) and Li et al (2003 Z. Angew. Math. Phys. 54 235)

The Chem-E-Car as a Vehicle for Service Learning through K-12 Outreach

Science.gov (United States)

Chirdon, William

2017-01-01

This article presents the results of combining the American Institute of Chemical Engineers' (AIChE) Chem-E-Car competition activities with engineering outreach to K-12 students in a service-learning course. Survey results are presented to show how the program develops technical skills as well as leadership, teamwork, and communication skills in…

Insularité et démographie dans la mer Intérieure japonaise

Directory of Open Access Journals (Sweden)

Philippe PELLETIER

1992-12-01

Full Text Available Les îles éloignées (ritô tiennent une place importante dans l’espace japonais. Les îles de la mer Intérieure se dépeuplèrent fortement pendant la Haute Croissance. Un graphique corrélant leur évolution démographique et leur distance par rapport à Honshû et Shikoku nous aide à comprendre que l’éloignement insulaire joua un rôle relatif.

1012-IJBCS-Article-Dr Simon Akpona

African Journals Online (AJOL)

DR GATSING

M. GOMINA ASSOUMANOU et al. / Int. J. Biol. Chem. Sci. 5(3): 1153-1164, 2011. 1157. Tableau 1: Caractéristiques physico-chimiques des boissons utilisées pour 100 cm3 (Chevassus et. Favier, 1976 ; Kayode et al., 2007 ; Adeleke et Abiodun, 2010). Boissons. Eau. (%). Protides. (g). Lipides. (g). Glucides. (g). Ca++. (mg).

2073-IJBCS-Article-François Ntep

African Journals Online (AJOL)

hp

Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem ... This underground water also revealed microbial contamination, with values of ... Despite the efforts made by the authorities in .... (Mg2+) and calcium (Ca2+) were determined by ... and hydro-carbonate (HCO3 ..... catchment scale between 1.4 and 2.5 for a.

et Ceratitis anonae

African Journals Online (AJOL)

climatiques. Int. J. Biol. Chem. Sci.,. 9(6): 2698-2715. Lloyd AC, Hamacek EL, Kopittke RA, Peek. T, Wyatt PM, Neale CJ, Elkema M. 2010. Area-wide management of fruit flies (Diptera: tephritidae) in the. Central Burnett district of Queensland,. Australia. Crop Protection, 29: 462-. 469. Mille C. 2010. Les mouches des fruits de.

1682-IJBCS-Article-Ademola Yakub

African Journals Online (AJOL)

hp

Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. ... Water samples were collected and analyzed using standard methods at five stations in each of the two water bodies. ... (Figure 1). It has connections to the sea via ... lowest level of lead was recorded at station .... very high concentrations at higher trophic.

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/

E4CHEM. A simulation program for the fate of chemicals in the environment. Handbook. User`s guide and description. Version 3.6. December 1995

Energy Technology Data Exchange (ETDEWEB)

Brueggemann, R [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien; Drescher-Kaden, U [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien; Muenzer, B [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien

1996-02-01

The predominant aims of E4CHEM are: Deterministic description of the chemical`s behavior in the environment with varying ecoparameters including the special aspects; Behavior of the same chemical in different compartments; Behavior of different chemicals in the same compartment with the same ecoparameters; Tracing back of chemicals detected in the environment to the possible source by means of check procedures like in EXWAT, one of the E4CHEM models; Discharge of the user from extensive calculation operations; Interpretation of experimental results. In combination with statistics and algebraic tools (lattice theory) but not included in E4CHEM yet: Selection of descriptors as tool for priority setting; Identification and ranking of chemicals according to their risk to the environment by comparing descriptors within descriptor matrices about the behavior of chemicals deived from the different models. Furthermore: Identification of chemical applicable as reference substances with respect to environmental behavior. The program E4CHEM is described in this manual. (orig./SR)

Mise au point de la protection intégrée du colza : exemple du phoma (Leptosphaeria maculans

Directory of Open Access Journals (Sweden)

Aubertot Jean-Noël

2003-05-01

Full Text Available En France, le phoma est considéré comme la maladie la plus préoccupante du colza. Il n’existe aucune méthode de lutte à la fois efficace, rentable et respectueuse de l’environnement. Il apparaît donc nécessaire de développer la lutte intégrée de la culture contre cette maladie. Cette communication présente les résultats d’un programme de recherche visant à analyser et à modéliser les effets des systèmes de culture sur le développement de la maladie. Des pistes concrètes pour la mise en oeuvre de la lutte intégrée contre le phoma sont proposées.

Incorporation of amphiphilic ruthenium(II) ammine complexes into Langmuir-Blodgett thin films with switchable quadratic nonlinear optical behavior.

Science.gov (United States)

Boubekeur-Lecaque, Leïla; Coe, Benjamin J; Harris, James A; Helliwell, Madeleine; Asselberghs, Inge; Clays, Koen; Foerier, Stijn; Verbiest, Thierry

2011-12-19

Nine nonlinear optical (NLO) chromophores with pyridinium electron acceptors have been synthesized by complexing new proligands with {Ru(II)(NH(3))(5)}(2+) electron-donor centers. The presence of long alkyl/fluoroalkyl chain substituents imparts amphiphilic properties, and these cationic complexes have been characterized as their PF(6)(-) salts by using various techniques including electronic absorption spectroscopy and cyclic voltammetry. Each complex shows three reversible/quasireversible redox processes; a Ru(III/II) oxidation and two ligand-based reductions. The energies of the intense visible d → π* metal-to-ligand charge-transfer (MLCT) absorptions correlate to some extent with the ligand reduction potentials. (1)H NMR spectroscopy also provides insights into the relative electron-withdrawing strengths of the new ligands. Single crystal X-ray structures have been determined for two of the proligand salts and one complex salt, [Ru(II)(NH(3))(5)(4-C(16)H(33)PhQ(+))]Cl(3)·3.25H(2)O (PhQ(+) = N-phenyl-4,4'-bipyridinium), showing centrosymmetric packing structures in each case. The PF(6)(-) analogue of the latter complex has been used to deposit reproducibly high-quality, multilayered Langmuir-Blodgett (LB) thin films. These films show a strong second harmonic generation (SHG) response from a 1064 nm laser; their MLCT absorbance increases linearly with the number of layers (N) and I(2ω)/I(ω)(2) (I(2ω) = intensity at 532 nm; I(ω) = intensity at 1064 nm) scales quadratically with N, consistent with homogeneous deposition. LB films on indium tin oxide (ITO)-coated glass show electrochemically induced switching of the SHG response, with a decrease in activity of about 50% on Ru(II) → Ru(III) oxidation. This effect is reversible, but reproducible over only a few cycles before the signal from the Ru(II) species diminishes. This work extrapolates our original solution studies (Coe, B. J. et al. Angew. Chem., Int. Ed.1999, 38, 366) to the first demonstration of

Reactivity of Chromium(III) Nutritional Supplements in Biological Media: An X-Ray Absorption Spectroscopic Study

Energy Technology Data Exchange (ETDEWEB)

Nguyen, A.; Mulyani, I.; Levina, A.; Lay, P.A.

2009-05-22

Chromium(III) nutritional supplements are widely used due to their purported ability to enhance glucose metabolism, despite growing evidence on low activity and the potential genotoxicity of these compounds. Reactivities of Cr(III) complexes used in nutritional formulations, including [Cr3O(OCOEt)6(OH2)3]+ (A), [Cr(pic)3] (pic) = 2-pyridinecarboxylato(-) (B), and trans-[CrCl2(OH2)4]+ (CrCl3 {center_dot} 6H2O; C), in a range of natural and simulated biological media (artificial digestion systems, blood and its components, cell culture media, and intact L6 rat skeletal muscle cells) were studied by X-ray absorption near-edge structure (XANES) spectroscopy. The XANES spectroscopic data were processed by multiple linear-regression analyses with the use of a library of model Cr(III) compounds, and the results were corroborated by the results of X-ray absorption fine structure spectroscopy and electrospray mass spectrometry. Complexes A and B underwent extensive ligand-exchange reactions under conditions of combined gastric and intestinal digestion (in the presence of a semisynthetic meal, 3 h at 310 K), as well as in blood serum and in a cell culture medium (1-24 h at 310 K), with the formation of Cr(III) complexes with hydroxo and amino acid/protein ligands. Reactions of compounds A-C with cultured muscle cells led to similar ligand-exchange products, with at least part of Cr(III) bound to the surface of the cells. The reactions of B with serum greatly enhanced its propensity to be converted to Cr(VI) by biological oxidants (H2O2 or glucose oxidase system), which is proposed to be a major cause of both the insulin-enhancing activity and toxicity of Cr(III) compounds (Mulyani, I.; Levina, A.; Lay, P. A. Angew. Chem. Int. Ed. 2004, 43, 4504-4507). This finding enhances the current concern over the safety of consumption of large doses of Cr(III) supplements, particularly [Cr(pic)3].

ChemSession'09 - 6. Warsaw Seminar of the PhD Students in Chemistry - Abstracts

International Nuclear Information System (INIS)

2009-01-01

Book of Abstracts contains short descriptions of presentations 3 lectures and 105 posters presented during ChemSession'09 - 6 th Warsaw Seminar of the PhD Students in Chemistry. Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also found

Interações entre o aluno com surdez, o professor e o intérprete em aulas de física: uma perspectiva Vygotskiana

Directory of Open Access Journals (Sweden)

Jaqueline Santos Vargas

2014-09-01

Full Text Available O estudo apresenta uma análise das interações entre o aluno com surdez, o professor e o intérprete em sala de aula, além do papel desses sujeitos no processo de inclusão do aluno surdo. Trata-se de uma pesquisa qualitativa realizada em 10 escolas públicas de Ensino Médio de Campo Grande-MS que receberam 24 alunos com surdez. Nessa análise utilizamos a abordagem histórico cultural de Vygotsky. Os resultados evidenciaram que apenas o intérprete interage efetivamente com esses alunos e pouco colabora para que eles interajam com pessoas que não dominam a Língua Brasileira de Sinais. Em sala de aula, o professor transfere ao intérprete a responsabilidade pelo ensino e a aprendizagem desses alunos.

Effet de la supplémentation de la farine des feuilles de Moringa ...

African Journals Online (AJOL)

Leaf flour in broiler production in Niger. ABSTRACT. In Niger, broilers are increasingly popular, and their diet requires a certain balance between the ..... caractéristiques des carcasses des poulets de chair alimentés avec des rations alimentaires à base de graines de. Mucuna pruriens. Int. J. Biol. Chem. Sci. 5(6):. 2306-231 ...

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

IntCal13 and Marine13 Radiocarbon Age Calibration Curves 0–50,000 Years cal BP

NARCIS (Netherlands)

Reimer, Paula J.; Bard, Edouard; Bayliss, Alex; Beck, J. Warren; Blackwell, Paul G.; Bronk Ramsey, Christopher; Buck, Caitlin E.; Cheng, Hai; Edwards, R. Lawrence; Friedrich, Michael; Grootes, Pieter M.; Guilderson, Thomas P.; Haflidason, Haflidi; Hajdas, Irka; Hatté, Christine; Heaton, Timothy J.; Hoffmann, Dirk L.; Hogg, Alan G.; Hughen, Konrad A.; Kaiser, K. Felix; Kromer, Bernd; Manning, Sturt W.; Niu, Mu; Reimer, Ron W.; Richards, David A.; Scott, E. Marian; Southon, John R.; Staff, Richard A.; Turney, Christian S.M.; Plicht, Johannes van der; Reimer, Paula J.

2013-01-01

The IntCal09 and Marine09 radiocarbon calibration curves have been revised utilizing newly available and updated data sets from C-14 measurements on tree rings, plant macrofossils, speleothems, corals, and foraminifera. The calibration curves were derived from the data using the random walk model

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.

ChemSession'08 - 5. Warsaw Seminar of the PhD Students in Chemistry - Abstracts

International Nuclear Information System (INIS)

Madura, I.

2008-01-01

Book of Abstracts consists of short descriptions of presentations: 5 lectures and 127 posters presented during ChemSession'08 - 5 th Warsaw Seminar of the PhD Students in Chemistry. Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also found

Current status of the ParInt package for parallel multivariate integration

International Nuclear Information System (INIS)

Doncker, E. de; Kaugars, K.; Cucos, L.; Zanny, R.

2002-01-01

The ParInt project focuses on the development of parallel algorithms and software for the computation of multi-variate integrals. We will give an overview of the contents and capabilities of the package. Our objective has been to provide the end-user with state of the art problem solving power. This has required work in a number of areas, including the fundamental numerical techniques, strategies for parallelization, user interfaces for general use and specific applications, and visualization of computations to analyze the mutual influences of problem characteristics and algorithm behavior. Furthermore, the integration of all the above into a versatile set of tools is aimed toward an efficient use of the available parallel or distributed computer resources. (author)

Mixed Waste Treatment Using the ChemChar Thermolytic Detoxification Technique

International Nuclear Information System (INIS)

Kuchynka, D.J.

1997-01-01

This R and D program addresses the treatment of mixed waste employing the ChemChar Thermolytic Detoxification process. Surrogate mixed waste streams will be treated in a four inch diameter, continuous feed, adiabatic reactor with the goal of meeting all regulatory treatment levels for the contaminants in the surrogates with the concomitant production of contaminant free by-products. Successful completion of this program will show that organic contaminants in mixed waste surrogates will be converted to a clean, energy rich synthesis gas capable of being used, without further processing, for power or heat generation. The inorganic components in the surrogates will be found to be adsorbed on a macroporous coal char activated carbon substrate which is mixed with the waste prior to treatment. These contaminants include radioactive metal surrogate species, RCRA hazardous metals and any acid gases formed during the treatment process. The program has three main tasks that will be performed to meet the above objectives. The first task is the design and construction of the four inch reactor at Mirage Systems in Sunnyvale, CA. The second task is production and procurement of the activated carbon char employed in the ChemChartest runs and identification of two surrogate mixed wastes. The last task is testing and operation of the reactor on char/surrogate waste mixtures to be performed at the University of Missouri. The deliverables for the project are a Design Review Report, Operational Test Plan, Topical Report and Final Report. This report contains only the results of the design and construction carbon production-surrogate waste identification tasks.Treatment of the surrogate mixed wastes has just begun and will not be reported in this version of the Final Report. The latter will be reported in the final version of the Final Report

L'initiative Samdrup Jongkhar, un modèle de développement intégré ...

International Development Research Centre (IDRC) Digital Library (Canada)

La Samdrup Jongkhar Initiative est un projet que la société civile a lancé dans le district du même nom, dans le but de favoriser un développement écologiquement responsable, en harmonie avec la philosophie holistique du Bhoutan qui vise à intégrer idéaux sociaux, économiques, culturels et environnementaux.

The Int7G24A variant of transforming growth factor-beta receptor type I is a risk factor for colorectal cancer in the male Spanish population: a case-control study

International Nuclear Information System (INIS)

Castillejo, Adela; Guillén-Ponce, Carmen; Carrato, Alfredo; Soto, José-Luís; Mata-Balaguer, Trinidad; Guarinos, Carla; Castillejo, María-Isabel; Martínez-Cantó, Ana; Barberá, Víctor-Manuel; Montenegro, Paola; Ochoa, Enrique; Lázaro, Rafael

2009-01-01

The Int7G24A variant of transforming growth factor-beta receptor type I (TGFBR1) has been shown to increase the risk for kidney, ovarian, bladder, lung and breast cancers. Its role in colorectal cancer (CRC) has not been established. The aims of this study were to assess the association of TGFBR1*Int7G24A variant with CRC occurrence, patient age, gender, tumour location and stage. We performed a case-control study with 504 cases of sporadic CRC; and 504 non-cancerous age, gender and ethnically matched controls. Genotyping analysis was performed using allelic discrimination assay by real time PCR. The Int7G24A variant was associated with increased CRC incidence in an additive model of inheritance (P for trend = 0.005). No significant differences were found between Int7G24A genotypes and tumour location or stage. Interestingly, the association of the Int7G24A variant with CRC risk was significant in men (odds ratio 4.10 with 95% confidence intervals 1.41-11.85 for homozygous individuals; P for trend = 0.00023), but not in women. We also observed an increase in susceptibility to CRC for individuals aged less than 70 years. Our data suggest that the Int7G24A variant represents a risk factor for CRC in the male Spanish population

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.

ChemSession'10: 7. Warsaw Seminar of the PhD Students in Chemistry. Abstracts

International Nuclear Information System (INIS)

Madura, I.

2010-01-01

Book of Abstracts contains short descriptions of presentations 4 lectures and 151 posters presented during ChemSession'10 - 7 th Warsaw Seminar of the PhD Students in Chemistry (Warsaw, 14.05.2010). Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry, application of the radionuclides and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also mentioned.

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

Intégration des TIC dans la gouvernance locale au Sénégal | IDRC ...

International Development Research Centre (IDRC) Digital Library (Canada)

Intégration des TIC dans la gouvernance locale au Sénégal. Ce projet s'inscrit dans le contexte de la mise en oeuvre du plan d'action du Somment mondial sur la société de l'information (SMSI). Ce plan met l'accent entre autres sur la nécessité d'un partenariat public-privé pour permettre aux collectivités africaines un ...

Gestion intégrée de l'eau urbaine et rurale pour une adaptation ...

International Development Research Centre (IDRC) Digital Library (Canada)

Ce projet de recherche permettra à deux villes indiennes de taille moyenne et à leurs bassins de passer à une approche de gestion de l'eau intégrée et résistante aux changements climatiques, ce qui assurera une meilleure sécurité hydrique aux résidents. Manque de sécurité hydrique en Inde Les villes de l'Asie du Sud ...

1763-IJBCS-Article-Christine Ouinsavi

African Journals Online (AJOL)

hp

Available online at http://ajol.info/index.php/ijbcs. Int. J. Biol. Chem. Sci. ... 2 Laboratoire d'Etudes et de Recherches Forestières, Université de Parakou, ... 4 UERS de Biochimie et de Biologie Moléculaire, Faculté de Médecine, ... clinique de la maladie est due au fait que les ... temporelle de la forêt pour le comportement.

Untitled

Indian Academy of Sciences (India)

20. Nevill GA and Cook D 1969 Can. J. Chen. 47 743. 21. Glasel GA 1969 Org. Magn. Reson. 1481. 22. Soundarajan S 1958 Trans. Faraday Soc. 54147. 23. Rein R 1971 Int. J. Quant. Chem., Symp, 4341. 24. Woet D 1972.J. Am. Chen, Soc. 94.8213. 25. Bideau.JP, Huong PV and Toure S 1976 Acta Crystallogr. B32481.

1998 Physical Acoustics Summer School (PASS 98). Volume III: Background Materials.

Science.gov (United States)

1998-01-01

to find a few dom- inating modes b1 ,..., b^ (K < M) so that the patterns yn = a + J2k=i c£bfc provide a good ap- proximation of the sequence {xn...Perkins, A. Gopinath, in Heat Transfer 1994: Proc. 10th Int. Heat Transfer Conf., G. F. Hewitt, ed., Inst. Chem. Eng., Rugby , UK (1994), p. 375. 7. R

Diversity of Rock Compositions at Gale Crater Observed by ChemCam and APXS on Curiosity, and Comparison to Meteorite and Orbital Observations

Science.gov (United States)

Wiens, R. C.; Maurice, S.; Grotzinger, J. P.; Gellert, R.; Mangold, N.; Sautter, V.; Ollila, A.; Dyar, M. D.; Le Mouelic, S.; Ehlmann, B. L.; Clegg, S. M.; Lanza, N.; Cousin, A.; Forni, O.; Gasnault, O.; Lasue, J.; Blaney, D. L.; Newsom, H. E.; Herkenhoff, K. E.; Anderson, R. B.; D'Uston, L.; Bridges, N. T.; Fabre, C.; Meslin, P.; Johnson, J.; Vaniman, D.; Bridges, J.; Dromart, G.; Schmidt, M. E.; Team, M.

2013-12-01

Gale crater was selected as the Curiosity landing site because of the apparent sedimentary spectral signatures seen from orbit. Sedimentary materials on Mars have to this point showed very little expression of major element mobility, so compositions of precursor igneous minerals play a strong role in the compositions of sediments. In addition, pebbles and float rocks on Bradbury Rise (sols 0-50, > 324) appear to be mostly igneous in origin, and are assumed to have been carried down from the crater rim. Overall in the first year on Mars ChemCam obtained >75,000 LIBS spectra on > 2,000 observation points, supported by > 1,000 RMI images, and APXS obtained a significant number of observations. These show surprisingly variable compositions. The mean ChemCam compositions for Bradbury Rise dust-free rocks and pebbles (62 locations) give SiO2 = 56%, FeOT = 16% and show high alkalis consistent with Jake Matijevic (sol ~47) APXS Na2O ~6.6 wt%. ChemCam observations on the conglomerate Link (sol 27) gave Rb > 150 ppm and Sr > 1500 ppm. These compositions imply the presence of abundant alkali feldspars in the material infilling the lower parts of Gale crater. They are generally consistent with the more feldspar-rich SNC meteorites but show a radical departure from larger scale orbital observations, e.g., GRS, raising the question of how widespread these compositions are outside of Gale crater. Sedimentary materials at Yellowknife Bay encompassing the Sheepbed (sols 125-300) and Shaler (sols 121, 311-324) units, potentially including Point Lake (sols 301-310) and Rocknest (sols 57-97), appear to have incorporated varying amounts of igneous source materials. Seven rocks investigated at Rocknest show significant additions of Fe, with mean FeOT = 25% (154 locations), suggesting that FeO was a cementing agent. ChemCam observations at Shaler show varying amounts of alkali feldspar (i.e., related to Bradbury Rise), Fe-rich material (Rocknest-like), and potassium-rich material

Intégration régionale et politique des outre-mers

Directory of Open Access Journals (Sweden)

Didier Benjamin

1999-06-01

Full Text Available Grâce à ses outre-mers, qui lui apportent 96% de sa zone économique exclusive, la France dispose du troisième domaine maritime du monde et assure une présence sur tous les océans. Cependant, les outre-mers ne jouent plus qu'un rôle mineur dans la politique des océans. Ce paradoxe s'explique en partie par les difficultés qu'ils rencontrent à s'insérer dans les échanges internationaux et à s'intégrer aux organisations régionales. Les différences de niveaux de développement socioéconomique avec les pays voisins contribuent à isoler les outre-mers dans leur environnement immédiat.

The Int7G24A variant of transforming growth factor-beta receptor type I is a risk factor for colorectal cancer in the male Spanish population: a case-control study

Directory of Open Access Journals (Sweden)

Lázaro Rafael

2009-11-01

Full Text Available Abstract Background The Int7G24A variant of transforming growth factor-beta receptor type I (TGFBR1 has been shown to increase the risk for kidney, ovarian, bladder, lung and breast cancers. Its role in colorectal cancer (CRC has not been established. The aims of this study were to assess the association of TGFBR1*Int7G24A variant with CRC occurrence, patient age, gender, tumour location and stage. Methods We performed a case-control study with 504 cases of sporadic CRC; and 504 non-cancerous age, gender and ethnically matched controls. Genotyping analysis was performed using allelic discrimination assay by real time PCR. Results The Int7G24A variant was associated with increased CRC incidence in an additive model of inheritance (P for trend = 0.005. No significant differences were found between Int7G24A genotypes and tumour location or stage. Interestingly, the association of the Int7G24A variant with CRC risk was significant in men (odds ratio 4.10 with 95% confidence intervals 1.41-11.85 for homozygous individuals; P for trend = 0.00023, but not in women. We also observed an increase in susceptibility to CRC for individuals aged less than 70 years. Conclusion Our data suggest that the Int7G24A variant represents a risk factor for CRC in the male Spanish population.

FastChem: A computer program for efficient complex chemical equilibrium calculations in the neutral/ionized gas phase with applications to stellar and planetary atmospheres

Science.gov (United States)

Stock, Joachim W.; Kitzmann, Daniel; Patzer, A. Beate C.; Sedlmayr, Erwin

2018-06-01

For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled nonlinear (and linear) algebraic equations, namely the law of mass action and the element conservation equations including charge balance, in many variables. Specifically, the system of equations is decomposed into a set of coupled nonlinear equations in one variable each, which are solved analytically whenever feasible to reduce computation time. Notably, the electron density is determined by using the method of Nelder and Mead at low temperatures. The program is written in object-oriented C++ which makes it easy to couple the code with other programs, although a stand-alone version is provided. FastChem can be used in parallel or sequentially and is available under the GNU General Public License version 3 at https://github.com/exoclime/FastChem together with several sample applications. The code has been successfully validated against previous studies and its convergence behavior has been tested even for extreme physical parameter ranges down to 100 K and up to 1000 bar. FastChem converges stable and robust in even most demanding chemical situations, which posed sometimes extreme challenges for previous algorithms.

Inclusion of biomass burning in WRF-Chem: impact of wildfires on weather forecasts

Directory of Open Access Journals (Sweden)

G. Grell

2011-06-01

Full Text Available A plume rise algorithm for wildfires was included in WRF-Chem, and applied to look at the impact of intense wildfires during the 2004 Alaska wildfire season on weather simulations using model resolutions of 10 km and 2 km. Biomass burning emissions were estimated using a biomass burning emissions model. In addition, a 1-D, time-dependent cloud model was used online in WRF-Chem to estimate injection heights as well as the vertical distribution of the emission rates. It was shown that with the inclusion of the intense wildfires of the 2004 fire season in the model simulations, the interaction of the aerosols with the atmospheric radiation led to significant modifications of vertical profiles of temperature and moisture in cloud-free areas. On the other hand, when clouds were present, the high concentrations of fine aerosol (PM_2.5 and the resulting large numbers of Cloud Condensation Nuclei (CCN had a strong impact on clouds and cloud microphysics, with decreased precipitation coverage and precipitation amounts during the first 12 h of the integration. During the afternoon, storms were of convective nature and appeared significantly stronger, probably as a result of both the interaction of aerosols with radiation (through an increase in CAPE as well as the interaction with cloud microphysics.

Source apportionment of atmospheric mercury pollution in China using the GEOS-Chem model

International Nuclear Information System (INIS)

Wang, Long; Wang, Shuxiao; Zhang, Lei; Wang, Yuxuan; Zhang, Yanxu; Nielsen, Chris; McElroy, Michael B.; Hao, Jiming

2014-01-01

China is the largest atmospheric mercury (Hg) emitter in the world. Its Hg emissions and environmental impacts need to be evaluated. In this study, China's Hg emission inventory is updated to 2007 and applied in the GEOS-Chem model to simulate the Hg concentrations and depositions in China. Results indicate that simulations agree well with observed background Hg concentrations. The anthropogenic sources contributed 35–50% of THg concentration and 50–70% of total deposition in polluted regions. Sensitivity analysis was performed to assess the impacts of mercury emissions from power plants, non-ferrous metal smelters and cement plants. It is found that power plants are the most important emission sources in the North China, the Yangtze River Delta (YRD) and the Pearl River Delta (PRD) while the contribution of non-ferrous metal smelters is most significant in the Southwest China. The impacts of cement plants are significant in the YRD, PRD and Central China. - Highlights: • China's anthropogenic mercury emission was 643.1 t in 2007. • GEOS-Chem model well reproduces the background Hg concentrations. • Anthropogenic emissions contribute 35–50% of Hg concentrations in polluted regions. • The priorities for mercury control in polluted regions are identified. - Anthropogenic Hg emissions are updated and their impacts on atmospheric mercury concentrations and depositions are quantified for China

ChemSession'11 - 8. Warsaw Seminar of the PhD Students in Chemistry - Abstracts

International Nuclear Information System (INIS)

Madura, I.

2011-01-01

Book of Abstracts contains short descriptions of presentations: 4 lectures, 1 communication and 149 posters presented during ChemSession'11 - 8 th Warsaw Seminar of the PhD Students in Chemistry (Warsaw, 13.05.2011). Several posters were devoted to the radiochemistry, radiochemical analysis, radiation chemistry, application of the radionuclides and radiobiology. Some posters on the material science dealing with materials important to nuclear sciences can be also mentioned.

Création d'outils pour la mesure de l'intégration des technologies de ...

International Development Research Centre (IDRC) Digital Library (Canada)

En collaborant avec les ministères de l'Éducation de la Colombie, du Mexique, du Pérou et de l'Uruguay, les chercheurs élaboreront des méthodologies communes et des indicateurs pertinents localement en vue de surveiller et de mesurer l'intégration des TIC en classe. Les résultats obtenus fourniront aux décideurs les ...

Intégration et coopération régionales en Afrique de l'Ouest | CRDI ...

International Development Research Centre (IDRC) Digital Library (Canada)

Épuisé. 406 pages. e-ISBN : 1552502988. Téléchargez le PDF · Téléchargez le cyberlivre. Cet ouvrage constate l'échec de l'intégration et de la coopération régionales en Afrique de l'Ouest et en analyse les raisons. Simultanément, il explore certaines des options permettant d'envisager la revitalisation de ce processus.

Operational forecast products and applications based on WRF/Chem

Science.gov (United States)

Hirtl, Marcus; Flandorfer, Claudia; Langer, Matthias; Mantovani, Simone; Olefs, Marc; Schellander-Gorgas, Theresa

2015-04-01

The responsibilities of the national weather service of Austria (ZAMG) 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. The ZAMG conducts daily Air-Quality forecasts using the on-line coupled model WRF/Chem. The mother domain expands over Europe, North Africa and parts of Russia. The nested domain includes the alpine region and has a horizontal resolution of 4 km. Local emissions (Austria) are used in combination with European inventories (TNO and EMEP) for the simulations. The modeling system is presented and the results from the evaluation of the assimilation of pollutants using the 3D-VAR software GSI is shown. Currently observational data (PM10 and O3) from the Austrian Air-Quality network and from European stations (EEA) are assimilated into the model on an operational basis. In addition PM maps are produced using Aerosol Optical Thickness (AOT) observations from MODIS in combination with model data using machine learning techniques. The modeling system is operationally evaluated with different data sets. The emphasis of the application is on the forecast of pollutants which are compared to the hourly values (PM10, O3 and NO2) of the Austrian Air-Quality network. As the meteorological conditions are important for transport and chemical processes, some parameters like wind and precipitation are automatically evaluated (SAL diagrams, maps, …) with other models (e.g. ECMWF, AROME, …) and ground stations via web interface. The prediction of the AOT is also important for operators of solar power plants. In the past Numerical Weather Prediction (NWP) models were used to predict the AOT based on cloud forecasts at the ZAMG. These models do not consider the spatial and temporal variation of the aerosol distribution in the atmosphere with a consequent impact on the accuracy of forecasts especially during clear-sky days

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

The ChemChar process for hazardous-waste treatment

International Nuclear Information System (INIS)

McGowin, A.E.

1991-01-01

The ChemChar Reverse-Burn Gasification Process has been studied for application to the thermal destruction of radioactive waste organic ion exchange resins. The resulting char was mixed with cement to form a dry, leach-resistant final disposal product. Successful regeneration of spent granular activated carbons was achieved with reverse-burn gasification. Regeneration parameters such as moisture content and supplemental fuel addition were investigated. The performance of regenerated carbon was evaluated by batch equilibrium and breakthrough assay and was comparable to that of the original. Surface areas were determined by the BET method. The fate of mercury during reverse-burn gasification was investigated. TRB Char adsorbent was used to remove mercury vapor emission from the process. The use of petroleum coke as a substrate for gasification of wastes was studied. Petroleum coke was activated by reverse-burn gasification to produce a highly porous, low surface area solid. Destruction efficiency for hexachlorobenzene on activated coke was considerably lower than on coal char, however, the addition of iron appeared to catalyze hexachlorobenzene gasification

Enhanced methanol oxidation and oxygen reduction reactions on palladium-decorated FeCo@Fe/C core–shell nanocatalysts in alkaline medium

CSIR Research Space (South Africa)

Fashedemi, OO

2013-12-01

Full Text Available . Zhong, J. Luo, B. Fang, B. N. Wanjala, P. N. Njoki, R. Loukrakpam and J. Yin, Nanotechnology, 2010, 21, 062001. 39 C. L. Lee, H. P. Chiou, C. M. Syu, C. R. Liu, C. C. Yang and C. C. Syu, Int. J. Hydrogen Energy, 2011, 36, 12706–12714. 40 K. J. Mayrhofer..., 12, 1102–1106. 2 Y. W. Lee, M. Kim, Y. Kim, S. W. Kang, J. H. Lee and S. W. Han, J. Phys. Chem. C, 2010, 114, 7689–7693. 3 C. Zhu, S. Guo and S. Dong, J. Mater. Chem., 2012, 22, 14851–14855. 4 C. Jeyabharathi, P. Venkateshkhumar, J. Mathiyarasau and K...

The IntFOLD server: an integrated web resource for protein fold recognition, 3D model quality assessment, intrinsic disorder prediction, domain prediction and ligand binding site prediction.

Science.gov (United States)

Roche, Daniel B; Buenavista, Maria T; Tetchner, Stuart J; McGuffin, Liam J

2011-07-01

The IntFOLD server is a novel independent server that integrates several cutting edge methods for the prediction of structure and function from sequence. Our guiding principles behind the server development were as follows: (i) to provide a simple unified resource that makes our prediction software accessible to all and (ii) to produce integrated output for predictions that can be easily interpreted. The output for predictions is presented as a simple table that summarizes all results graphically via plots and annotated 3D models. The raw machine readable data files for each set of predictions are also provided for developers, which comply with the Critical Assessment of Methods for Protein Structure Prediction (CASP) data standards. The server comprises an integrated suite of five novel methods: nFOLD4, for tertiary structure prediction; ModFOLD 3.0, for model quality assessment; DISOclust 2.0, for disorder prediction; DomFOLD 2.0 for domain prediction; and FunFOLD 1.0, for ligand binding site prediction. Predictions from the IntFOLD server were found to be competitive in several categories in the recent CASP9 experiment. The IntFOLD server is available at the following web site: http://www.reading.ac.uk/bioinf/IntFOLD/.

445-IJBCS-Article-Prof Jean Lagarde Betti

African Journals Online (AJOL)

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J.-L. BETTI et J.- LEJOLY / Int. J. Biol. Chem. Sci. 4(1): 193-200, 2010. 197. Tableau 3: Citations des recettes populaires utilisées contre les maux de dos dans la réserve du Dja au Cameroun. Recette Espèce. Plante associée. Organe. Mode de. Préparation. Mode d'administration. Ménage. Rec1. Baillonella toxisperma ect.

2552-IJBCS-Article-Kokou Agbekonyi Agbodan

African Journals Online (AJOL)

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radicalaire des extraits des fruits de. Raphia gentiliana De Wild (Arecaceae). Int. J. Biol. Chem. Sci., 8(6): 2441-2451. DOI. : http://dx.doi.org/10.4314/ ijbcs.v8i6.7. Popovici I, Saykova I, Tylkowsky B. 2006. Evaluation de l'activité antioxydant des composés phénoliques par la réactivité avec le radical libre DPPH. Revue de.

Elastic, vibration and thermodynamic properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) chalcopyrite compounds via first principles

Science.gov (United States)

Zhong, Yuhan; Wang, Peida; Mei, Huayue; Jia, Zhenyuan; Cheng, Nanpu

2018-06-01

CuInTe2 chalcopyrite compound is widely used in the fields of optoelectronics and pyroelectricity, and doping atoms can further improve the physical properties of the CuInTe2 compound. For all we know, this is the first time that the elastic behaviors and lattice dynamical properties of Ag-doped CuInTe2 compounds with the tetragonal system are determined theoretically. The elastic, lattice dynamical and thermal properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) compounds have been investigated by using density functional theory. The obtained elastic constants of Cu1‑x Ag x InTe2 compounds indicate that these compounds are mechanically stable and elastic anisotropic. The anisotropy of the {001} plane is more obvious than those of the {100} and {010} planes. Additionally, with increasing Ag doping concentrations, the bulk and shear moduli of Cu1‑x Ag x InTe2 compounds decrease and their toughness improves. The phonon spectra and density of states reveal that Cu (or Ag) atoms in Cu1‑x Ag x InTe2 compounds form chemical bonds with Te atoms, and Cu-Te bonds are gradually replaced by Ag-Te bonds with increasing Ag doping concentration. Vibration modes of Cu1‑x Ag x InTe2 compounds at the {{Γ }} point in the Brillouin zone show that each Cu1‑x Ag x InTe2 (x = 0 and 1) crystal includes five irreducible representations (A1, A2, B1, B2 and E). As for Cu1‑x Ag x InTe2 (x = 0.25, 0.5 and 0.75) compounds, each crystal has three irreducible representations (A, B and E). The atomic displacements of several typical phonon modes in CuInTe2 crystals have been analyzed to deepen the understanding of lattice vibrations in Cu1‑x AgxInTe2 compounds. With increasing Ag doping concentration, the Debye temperatures of Cu1‑x Ag x InTe2 compounds decrease, while their heat capacities increase.

Hybrid lentivirus-phiC31-int-NLS vector allows site-specific recombination in murine and human cells but induces DNA damage.

Directory of Open Access Journals (Sweden)

Nicolas Grandchamp

Full Text Available Gene transfer allows transient or permanent genetic modifications of cells for experimental or therapeutic purposes. Gene delivery by HIV-derived lentiviral vector (LV is highly effective but the risk of insertional mutagenesis is important and the random/uncontrollable integration of the DNA vector can deregulate the cell transcriptional activity. Non Integrative Lentiviral Vectors (NILVs solve this issue in non-dividing cells, but they do not allow long term expression in dividing cells. In this context, obtaining stable expression while avoiding the problems inherent to unpredictable DNA vector integration requires the ability to control the integration site. One possibility is to use the integrase of phage phiC31 (phiC31-int which catalyzes efficient site-specific recombination between the attP site in the phage genome and the chromosomal attB site of its Streptomyces host. Previous studies showed that phiC31-int is active in many eukaryotic cells, such as murine or human cells, and directs the integration of a DNA substrate into pseudo attP sites (pattP which are homologous to the native attP site. In this study, we combined the efficiency of NILV for gene delivery and the specificity of phiC31-int for DNA substrate integration to engineer a hybrid tool for gene transfer with the aim of allowing long term expression in dividing and non-dividing cells preventing genotoxicity. We demonstrated the feasibility to target NILV integration in human and murine pattP sites with a dual NILV vectors system: one which delivers phiC31-int, the other which constitute the substrate containing an attB site in its DNA sequence. These promising results are however alleviated by the occurrence of significant DNA damages. Further improvements are thus required to prevent chromosomal rearrangements for a therapeutic use of the system. However, its use as a tool for experimental applications such as transgenesis is already applicable.

RPA70 depletion induces hSSB1/2-INTS3 complex to initiate ATR signaling

OpenAIRE

Kar, Ananya; Kaur, Manpreet; Ghosh, Tanushree; Khan, Md. Muntaz; Sharma, Aparna; Shekhar, Ritu; Varshney, Akhil; Saxena, Sandeep

2015-01-01

The primary eukaryotic single-stranded DNA-binding protein, Replication protein A (RPA), binds to single-stranded DNA at the sites of DNA damage and recruits the apical checkpoint kinase, ATR via its partner protein, ATRIP. It has been demonstrated that absence of RPA incapacitates the ATR-mediated checkpoint response. We report that in the absence of RPA, human single-stranded DNA-binding protein 1 (hSSB1) and its partner protein INTS3 form sub-nuclear foci, associate with the ATR-ATRIP comp...

Le label « bateaux d’intérêt patrimonial »

Directory of Open Access Journals (Sweden)

Herveline Delhumeau

2009-05-01

Full Text Available Le label « bateaux d’intérêt patrimonial » s’inscrit pleinement dans les missions de la Fondation du patrimoine maritime et fluvial qui a pour vocation d’inventorier, de sauvegarder, de préserver et de promouvoir le patrimoine maritime et fluvial national non protégé par l’État. (fig. n°1Figure 1Belote et Re, thonier-chalutier traditionnel, construit en 1957 à Saint-Gilles Croix-de-Vie. Ce bateau est la dernière coque en bois réalisée par le chantier Bénéteau-père. © Fondation du Patrimoine ...

Lin- CD34hi CD117int/hi FcεRI+ cells in human blood constitute a rare population of mast cell progenitors.

Science.gov (United States)

Dahlin, Joakim S; Malinovschi, Andrei; Öhrvik, Helena; Sandelin, Martin; Janson, Christer; Alving, Kjell; Hallgren, Jenny

2016-01-28

Mast cells are rare tissue-resident immune cells that are involved in allergic reactions, and their numbers are increased in the lungs of asthmatics. Murine lung mast cells arise from committed bone marrow-derived progenitors that enter the blood circulation, migrate through the pulmonary endothelium, and mature in the tissue. In humans, mast cells can be cultured from multipotent CD34(+) progenitor cells. However, a population of distinct precursor cells that give rise to mast cells has remained undiscovered. To our knowledge, this is the first report of human lineage-negative (Lin(-)) CD34(hi) CD117(int/hi) FcεRI(+) progenitor cells, which represented only 0.0053% of the isolated blood cells in healthy individuals. These cells expressed integrin β7 and developed a mast cell-like phenotype, although with a slow cell division capacity in vitro. Isolated Lin(-) CD34(hi) CD117(int/hi) FcεRI(+) blood cells had an immature mast cell-like appearance and expressed high levels of many mast cell-related genes as compared with human blood basophils in whole-transcriptome microarray analyses. Furthermore, serglycin, tryptase, and carboxypeptidase A messenger RNA transcripts were detected by quantitative reverse transcription-polymerase chain reaction. Altogether, we propose that the Lin(-) CD34(hi) CD117(int/hi) FcεRI(+) blood cells are closely related to human tissue mast cells and likely constitute an immediate precursor population, which can give rise to predominantly mast cells. Furthermore, asthmatics with reduced lung function had a higher frequency of Lin(-) CD34(hi) CD117(int/hi) FcεRI(+) blood mast cell progenitors than asthmatics with normal lung function. © 2016 by The American Society of Hematology.

In situ detection of boron by ChemCam on Mars

Science.gov (United States)

Gasda, Patrick J.; Haldeman, Ethan B.; Wiens, Roger C.; Rapin, William; Bristow, Thomas F.; Bridges, John C.; Schwenzer, Susanne P.; Clark, Benton; Herkenhoff, Kenneth; Frydenvang, Jens; Lanza, Nina L.; Maurice, Sylvestre; Clegg, Samuel; Delapp, Dorothea M.; Sanford, Veronica L.; Bodine, Madeleine R.; McInroy, Rhonda

2017-09-01

We report the first in situ detection of boron on Mars. Boron has been detected in Gale crater at levels Curiosity rover ChemCam instrument in calcium-sulfate-filled fractures, which formed in a late-stage groundwater circulating mainly in phyllosilicate-rich bedrock interpreted as lacustrine in origin. We consider two main groundwater-driven hypotheses to explain the presence of boron in the veins: leaching of borates out of bedrock or the redistribution of borate by dissolution of borate-bearing evaporite deposits. Our results suggest that an evaporation mechanism is most likely, implying that Gale groundwaters were mildly alkaline. On Earth, boron may be a necessary component for the origin of life; on Mars, its presence suggests that subsurface groundwater conditions could have supported prebiotic chemical reactions if organics were also present and provides additional support for the past habitability of Gale crater.

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

Comment on ``On the Crooks fluctuation theorem and the Jarzynski equality'' [J. Chem. Phys. 129, 091101 (2008)

Science.gov (United States)

Adib, Artur B.

2009-06-01

It has recently been argued that a self-consistency condition involving the Jarzynski equality (JE) and the Crooks fluctuation theorem (CFT) is violated for a simple Brownian process [L. Y. Chen, J. Chem. Phys.129, 091101 (2008)]. This note adopts the definitions in the original formulation of the JE and CFT and demonstrates the contrary.

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

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.

ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files.

Science.gov (United States)

Karthikeyan, Muthukumarasamy; Vyas, Renu

2016-01-01

Digital access to chemical journals resulted in a vast array of molecular information that is now available in the supplementary material files in PDF format. However, extracting this molecular information, generally from a PDF document format is a daunting task. Here we present an approach to harvest 3D molecular data from the supporting information of scientific research articles that are normally available from publisher's resources. In order to demonstrate the feasibility of extracting truly computable molecules from PDF file formats in a fast and efficient manner, we have developed a Java based application, namely ChemEngine. This program recognizes textual patterns from the supplementary data and generates standard molecular structure data (bond matrix, atomic coordinates) that can be subjected to a multitude of computational processes automatically. The methodology has been demonstrated via several case studies on different formats of coordinates data stored in supplementary information files, wherein ChemEngine selectively harvested the atomic coordinates and interpreted them as molecules with high accuracy. The reusability of extracted molecular coordinate data was demonstrated by computing Single Point Energies that were in close agreement with the original computed data provided with the articles. It is envisaged that the methodology will enable large scale conversion of molecular information from supplementary files available in the PDF format into a collection of ready- to- compute molecular data to create an automated workflow for advanced computational processes. Software along with source codes and instructions available at https://sourceforge.net/projects/chemengine/files/?source=navbar.Graphical abstract.

Paternité des articles et intérêts concurrents : une analyse des recommandations aux auteurs des journaux traitant de pratique pharmaceutique

Science.gov (United States)

Courbon, Ève; Tanguay, Cynthia; Lebel, Denis; Bussières, Jean-François

2014-01-01

RÉSUMÉ Contexte : La présence d’auteurs honorifiques et fantômes ainsi que les intérêts concurrents représentent des difficultés bien documentées, liées à la publication d’articles scientifiques. Il existe des lignes directrices encadrant la rédaction et la publication de manuscrits scientifiques, notamment celles de l’International Committee of Medical Journal Editors (ICMJE). Objectifs : L’objectif principal de cette étude descriptive et transversale visait à recenser les instructions portant sur la paternité des articles et les intérêts concurrents provenant des recommandations aux auteurs des journaux traitant de pratique pharmaceutique. L’objectif secondaire visait à déterminer des mesures correctrices pour une paternité des articles plus transparente. Méthode : La recherche a débuté par l’identification des journaux traitant de pratique pharmaceutique. La consultation des instructions aux auteurs des journaux a permis ensuite de recenser les recommandations destinées à éviter les problèmes de paternité des articles et d’intérêts concurrents. Finalement, les membres de l’équipe de recherche se sont consultés afin de définir des mesures correctrices possibles à l’intention des chercheurs. Résultats : Des 232 journaux traitant de pharmacie, 33 ont été définis comme traitant de pratique pharmaceutique. Un total de 24 (73 %) journaux mentionnaient suivre la politique de l’ICMJE, 14 (42 %) demandaient aux auteurs de remplir un formulaire de déclaration d’intérêts concurrents au moment de la soumission de l’article, 17 (52 %) présentaient une définition de la qualité d’auteur et 5 (15 %) demandaient de détailler les contributions de chaque auteur. Une grille de 40 critères a été élaborée pour définir l’attribution du statut d’auteur. Conclusion : Moins de la moitié des journaux demandait aux auteurs de transmettre un formulaire de déclaration des intérêts concurrents au moment de la

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.

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.

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

Emerging contaminants and nutrients synergistically affect the spread of class 1 integron-integrase (intI1) and sul1 genes within stable streambed bacterial communities.

Science.gov (United States)

Subirats, Jèssica; Timoner, Xisca; Sànchez-Melsió, Alexandre; Balcázar, José Luis; Acuña, Vicenç; Sabater, Sergi; Borrego, Carles M

2018-07-01

Wastewater effluents increase the nutrient load of receiving streams while introducing a myriad of anthropogenic chemical pollutants that challenge the resident aquatic (micro)biota. Disentangling the effects of both kind of stressors and their potential interaction on the dissemination of antibiotic resistance genes in bacterial communities requires highly controlled manipulative experiments. In this work, we investigated the effects of a combined regime of nutrients (at low, medium and high concentrations) and a mixture of emerging contaminants (ciprofloxacin, erythromycin, sulfamethoxazole, diclofenac, and methylparaben) on the bacterial composition, abundance and antibiotic resistance profile of biofilms grown in artificial streams. In particular, we investigated the effect of this combined stress on genes encoding resistance to ciprofloxacin (qnrS), erythromycin (ermB), sulfamethoxazole (sul1 and sul2) as well as the class 1 integron-integrase gene (intI1). Only genes conferring resistance to sulfonamides (sul1 and sul2) and intI1 gene were detected in all treatments during the study period. Besides, bacterial communities exposed to emerging contaminants showed higher copy numbers of sul1 and intI1 genes than those not exposed, whereas nutrient amendments did not affect their abundance. However, bacterial communities exposed to both emerging contaminants and a high nutrient concentration (1, 25 and 1 mg L -1 of phosphate, nitrate and ammonium, respectively) showed the highest increase on the abundance of sul1 and intI1 genes thus suggesting a factors synergistic effect of both stressors. Since none of the treatments caused a significant change on the composition of bacterial communities, the enrichment of sul1 and intI1 genes within the community was caused by their dissemination under the combined pressure exerted by nutrients and emerging contaminants. To the best of our knowledge, this is the first study demonstrating the contribution of nutrients on

Viral vectors for gene modification of plants as chem/bio sensors.

Energy Technology Data Exchange (ETDEWEB)

Manginell, Monica; Harper, Jason C.; Arango, Dulce C.; Brozik, Susan Marie; Dolan, Patricia L.

2006-11-01

Chemical or biological sensors that are specific, sensitive, and robust allowing intelligence gathering for verification of nuclear non-proliferation treaty compliance and detouring production of weapons of mass destruction are sorely needed. Although much progress has been made in the area of biosensors, improvements in sensor lifetime, robustness, and device packaging are required before these devices become widely used. Current chemical and biological detection and identification techniques require less-than-covert sample collection followed by transport to a laboratory for analysis. In addition to being expensive and time consuming, results can often be inconclusive due to compromised sample integrity during collection and transport. We report here a demonstration of a plant based sensor technology which utilizes mature and seedling plants as chemical sensors. One can envision genetically modifying native plants at a site of interest that can report the presence of specific toxins or chemicals. In this one year project we used a developed inducible expression system to show the feasibility of plant sensors. The vector was designed as a safe, non-infectious vector which could be used to invade, replicate, and introduce foreign genes into mature host plants that then allow the plant to sense chem/bio agents. The genes introduced through the vector included a reporter gene that encodes for green fluorescent protein (GFP) and a gene that encodes for a mammalian receptor that recognizes a chemical agent. Specifically, GFP was induced by the presence of 17-{beta}-Estradiol (estrogen). Detection of fluorescence indicated the presence of the target chemical agent. Since the sensor is a plant, costly device packaging development or manufacturing of the sensor were not required. Additionally, the biological recognition and reporting elements are maintained in a living, natural environment and therefore do not suffer from lifetime disadvantages typical of most biosensing

Plantes alimentaires d'intérêt médicinal utilisées par les Pygmées ...

African Journals Online (AJOL)

L'usage des plantes dans les thérapies traditionnelles et en alimentation est primordial pour les populations des zones tropicales en général et celles des zones forestières et principalement des Pygmées en particulier. Le présent article contribue à la connaissance des plantes alimentaires d'intérêt médicinal utilisées en ...

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.

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

Spectral analysis of the IntCal98 calibration curve: a Bayesian view

International Nuclear Information System (INIS)

Palonen, V.; Tikkanen, P.

2004-01-01

Preliminary results from a Bayesian approach to find periodicities in the IntCal98 calibration curve are given. It has been shown in the literature that the discrete Fourier transform (Schuster periodogram) corresponds to the use of an approximate Bayesian model of one harmonic frequency and Gaussian noise. Advantages of the Bayesian approach include the possibility to use models for variable, attenuated and multiple frequencies, the capability to analyze unevenly spaced data and the possibility to assess the significance and uncertainties of spectral estimates. In this work, a new Bayesian model using random walk noise to take care of the trend in the data is developed. Both Bayesian models are described and the first results of the new model are reported and compared with results from straightforward discrete-Fourier-transform and maximum-entropy-method spectral analyses

2475-IJBCS-Article-Dr Traoré Mamoudou

African Journals Online (AJOL)

hp

Int. J. Biol. Chem. Sci. 9(5): 2334-2345, 2015. 2340. Tableau 1 : Macrofaune sous différents types de traitements de la variété F0. Traitements. Ordre. Famille. Genre. Espèce. Nombre par unité de surface. T1. Hyménoptères. Termitidae. Microtermes pusillus. 20±1,2. Coléoptères. Carabidae. Feronia sp. 1±0,06. Hémiptères.

Energy transformation, transfer, and release dynamics in high speed turbulent flows

Science.gov (United States)

2017-03-01

Secondly, a new high -order (4 th -order) convective flux formulation was developed that uses the tabulated information, yet produces a fully consistent...Klippenstein 2012 Comprehensive H2/O2 Kinetic Model for High - Pressure Combustion. Int. J. Chem. Kinetics 44:444-474. Cabot, W.H., A.W. Cook, P.L. Miller, D.E...AFRL-AFOSR-VA-TR-2017-0054 Energy Transformation, Transfer, and Release Dynamics in High -Speed Turbulent Flows Paul Dimotakis CALIFORNIA INSTITUTE

Marché du carbone et solutions de gestion intégrée des déchets ...

International Development Research Centre (IDRC) Digital Library (Canada)

Marché du carbone et solutions de gestion intégrée des déchets : étude de cas menée en Indonésie. Le Mécanisme de développement propre (MDP) prévu au Protocole de Kyoto signé en 1997 a le double objectif d'aider les pays en développement à connaître un développement durable (tel que défini par chaque pays) ...

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

Science.gov (United States)

Chen, Daquan; Sun, Kaoxiang; Mu, Hongjie; Tang, Mingtan; Liang, Rongcai; Wang, Aiping; Zhou, Shasha; Sun, Haijun; Zhao, Feng; Yao, Jianwen; Liu, Wanhui

2012-01-01

Background 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. PMID:22679372

Switching Catalysis from Hydrolysis to Perhydrolysis in Pseudomonas fluorescens Esterase

Energy Technology Data Exchange (ETDEWEB)

Yin, D.; Bernhardt, P; Morley, K; Jiang, Y; Cheeseman, J; Purpero, V; Schrag, J; Kazlauskas, R

2010-01-01

Many serine hydrolases catalyze perhydrolysis, the reversible formation of peracids from carboxylic acids and hydrogen peroxide. Recently, we showed that a single amino acid substitution in the alcohol binding pocket, L29P, in Pseudomonas fluorescens (SIK WI) aryl esterase (PFE) increased the specificity constant of PFE for peracetic acid formation >100-fold [Bernhardt et al. (2005) Angew. Chem., Int. Ed. 44, 2742]. In this paper, we extend this work to address the three following questions. First, what is the molecular basis of the increase in perhydrolysis activity? We previously proposed that the L29P substitution creates a hydrogen bond between the enzyme and hydrogen peroxide in the transition state. Here we report two X-ray structures of L29P PFE that support this proposal. Both structures show a main chain carbonyl oxygen closer to the active site serine as expected. One structure further shows acetate in the active site in an orientation consistent with reaction by an acyl-enzyme mechanism. We also detected an acyl-enzyme intermediate in the hydrolysis of {var_epsilon}-caprolactone by mass spectrometry. Second, can we further increase perhydrolysis activity? We discovered that the reverse reaction, hydrolysis of peracetic acid to acetic acid and hydrogen peroxide, occurs at nearly the diffusion limited rate. Since the reverse reaction cannot increase further, neither can the forward reaction. Consistent with this prediction, two variants with additional amino acid substitutions showed 2-fold higher k{sub cat}, but K{sub m} also increased so the specificity constant, k{sub cat}/K{sub m}, remained similar. Third, how does the L29P substitution change the esterase activity? Ester hydrolysis decreased for most esters (75-fold for ethyl acetate) but not for methyl esters. In contrast, L29P PFE catalyzed hydrolysis of {var_epsilon}-caprolactone five times more efficiently than wild-type PFE. Molecular modeling suggests that moving the carbonyl group closer to the

Copper-promoted methylene C-H oxidation to a ketone derivative by O2.

Science.gov (United States)

Deville, Claire; McKee, Vickie; McKenzie, Christine J

2017-01-17

The methylene group of the ligand 1,2-di(pyridin-2-yl)-ethanone oxime (dpeo) is slowly oxygenated by the O 2 in air under ambient conditions when [Cu(dpeo) 2 ](ClO 4 ) 2 is dissolved in ethanol or acetonitrile. An initial transient ketone product, 2-(hydroxyimino)-1,2-di(pyridine-2-yl)ethanone, (hidpe) was characterized in the heteroleptic copper(ii) complex [Cu(bpca)(hidpe)](ClO 4 ). The co-ligand in this complex, N-(2'-pyridylcarbonyl)pyridine-2-carboximidate (bpca - ), is derived from a copper-promoted Beckmann rearrangement of hidpe. In the presence of bromide only [Cu(bpca)Br] is isolated. When significant water is present in reaction mixtures copper complexes of dpeo, hidpe and bpca - are not recovered and [Cu(pic) 2 H 2 O] is isolated. This occurs since two equivalents of picolinate are ultimately generated from one equivalent of oxidized and hydrolysed dpeo. The copper-dependent O 2 activation and consequent stoichiometric dpeo C-H oxidation is reminiscent of the previously observed catalysis of dpeo oxidation by Mn(ii) [C. Deville, S. K. Padamati, J. Sundberg, V. McKee, W. R. Browne, C. J. McKenzie, Angew. Chem., Int. Ed., 2016, 55, 545-549]. By contrast dpeo oxidation is not observed during complexation reactions with other late transition metal(ii) ions (M = Fe, Co, Ni, Zn) under aerobic conditions. In these cases bis and tris complexes of bidentate dpeo are isolated in good yields. It is interesting to note that dpeo is not oxidised by H 2 O 2 in the absence of Cu or Mn, suggesting that metal-based oxidants capable of C-H activation are produced from the dpeo-Cu/Mn systems and specifically O 2 . The metastable copper complexes [Cu(dpeo) 2 ](ClO 4 ) 2 and [Cu(bpca)(hidpe)](ClO 4 ), along with [NiX 2 (dpeo) 2 ] (X = Cl, Br), [Ni(dpeo) 3 ](ClO 4 ) 2 , [Co(dpeo) 3 ](ClO 4 ) 3 and the mixed valence complex [Fe III Fe(dpeo-H) 3 (dpeo) 3 ](PF 6 ) 4 , have been structurally characterized.

Intérprete, tu serás Interpreter, you will be

Directory of Open Access Journals (Sweden)

Márcia Atálla Pietroluongo

2011-12-01

Full Text Available País bilíngue, fundamental no campo dos Estudos da Tradução por suas pesquisas em Terminologia e em Tradução jurídica, o Canadá promoveu e promove inúmeras iniciativas públicas, através de seu Bureau de Traduction, dentre outros organismos, para responder às diversas necessidades nacionais internas. O presente trabalho apresentará um acórdão da Corte Suprema da Nova-Escócia, província do Canadá, conhecido na jurisprudência canadense como o Acórdão Tran (1994, importante documento que estabeleceu pela primeira vez critérios para a fundamentação da "boa interpretação" no meio judicial. Tal decisão da Corte canadense foi incorporada ao Guia para Intérpretes Judiciários, do Ministério da Justiça do Quebec - Direção Geral dos Serviços de Justiça e dos Registros (janeiro de 2001, com edição revista em 2008, traduzido e adaptado por Pierrette Richard, Intérprete Judiciária no Palácio de Justiça de Montreal, do Freelance Court Interpreter's (1995, produzido pelo Serviço de Interpretação Judiciária do Ministério do Procurador Geral de Ontario.A bilingual country, essential in the Translation Studies field for its research on Terminology and Legal Translation, Canada has promoted in the past, and still does, multiple public initiatives, through its Bureau de Traduction, among other bodies, in order to respond to its various national internal needs. This work will present an appellate decision to the Supreme Court of Nova Scotia, a Canadian province, referred in case law as the Tran Decision (1994, an important document which for the first time has set forth the criteria for the grounds of "good interpretation" in the judicial milieu. Such decision from the Canada Court was included in the Guide for Court Interpreters, issued by the Quebec Ministry of Justice - General Direction of Justice and Registration Services (January 2001, revised in 2008, translated and adapted by Pierrette Richard, Court Interpreter in

La discrimination : une frontière par rapport à l’intégration

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Rosita Fibbi

2010-12-01

Full Text Available La Suisse s’est dotée d’une politique officielle d’intégration qui s’adresse prioritairement aux nouveaux immigrants. Toutefois les difficultés d’intégration concernent également la jeunesse d’origine immigrée qui réside dans le pays depuis des années. Deux études menées au Forum suisse pour l’étude des migrations et de la population montrent que ces jeunes sont confrontés à la discrimination à l’entrée sur le marché du travail, même lorsqu’ils disposent de qualifications identiques à celles de leurs congénères.Discrimination: a boundary to integrationSwitzerland has developed an official policy of integration with a priority accorded to new immigrants. However, integration difficulties concern also young people of immigrant origins who have lived in the country for a long time. Two studies carried out by the Swiss Forum for the Study of Migrations and the Population show that these young individuals are confronted with discrimination when they seek to enter the work force, even when they dispose of identical qualifications to those of their generation.La discriminación como barrera fronteriza contra la immigraciónSuiza se ha dotado de una política oficial dirigida prioritariamente a los imigrantes recientes. Sin embargo las dificultades de la integración atañen tambien a los jovenes de origen extranjero que residen en el pais desde hace años. Dos estudios realizados por el Foro suizo para el estudio de las migraciones y de la población ponen en evidencia que esos jovenes estan confrontados a la discriminación cuando llegan a la edad de trabajar aunque posean el mismo nivel de cualificación que los autoctonos.

Intérprete de libras em atuação na Educação Infantil e no Ensino Fundamental

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Simone Ferreira Conforto

2017-02-01

Full Text Available Neste texto bastante instigante, a autora nos traz uma grande reflexão do que seria a interpretação/ tradução fazendo uma comparação entre este dois campos. Assim, em relação à interpretação traduzir não é apenas trocar de uma língua para outra, é fundamental definir os sentidos do que se quer e deseja traduzir. Outros autores porém se referem à interpretação e tradução como sendo duas tarefas distintas e na verdade, traduzir é versar de uma língua para outra e interpretar envolveria relações pessoais. Para a autora, na verdade, o que acontece é que o intérprete se envolve em relações sociais e diálogos face a face. Então, o tradutor/intérprete precisa sempre agir com rapidez em suas escolhas e não tem como refletir, sobre o que está interpretando.

Synthesis and characterization of Cu3TaIn3Se7 and CuTa2InTe4

International Nuclear Information System (INIS)

Calderon, E.; Munoz-Pinto, M.; Duran-Pina, S.; Quintero, M.; Quintero, E.; Morocoima, M.; Delgado, G.E.; Romero, H.; Briceno, J.M.; Fernandez, J.; Grima-Gallardo, P.

2008-01-01

Polycrystalline samples of Cu 3 TaIn 3 Se 7 and CuTa 2 InTe 4 were synthesized by the usual melt and anneal technique. X-ray powder diffraction showed a single phase behavior for both samples with tetragonal symmetry and unit cell parameter values a=5.794±0.002 A, c=11.66±0.01 A, c/a=2.01, V=391±1 A 3 and a=6.193±0.001 A, c=12.400 ±0.002A, c/a=2.00, V=475±1 A 3 , respectively. Differential thermal analysis (DTA) measurements suggested a complicated behavior near the melting point with several thermal transitions observed in the heating and cooling runs. From the shape of the DTA peaks it was deduced that the melting is incongruent for both materials. Magnetic susceptibility measurements (zero-field cooling and field cooling) indicated an antiferromagnetic character with transition temperatures of T=70 K (Cu 3 TaIn 3 Se 7 ) and 42 K (CuTa 2 InTe 4 ). A spin-glass transition was observed in Cu 3 TaIn 3 Se 7 with T f ∼50 K. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Host Factors Influencing the Retrohoming Pathway of Group II Intron RmInt1, Which Has an Intron-Encoded Protein Naturally Devoid of Endonuclease Activity.

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Rafael Nisa-Martínez

Full Text Available Bacterial group II introns are self-splicing catalytic RNAs and mobile retroelements that have an open reading frame encoding an intron-encoded protein (IEP with reverse transcriptase (RT and RNA splicing or maturase activity. Some IEPs carry a DNA endonuclease (En domain, which is required to cleave the bottom strand downstream from the intron-insertion site for target DNA-primed reverse transcription (TPRT of the inserted intron RNA. Host factors complete the insertion of the intron. By contrast, the major retrohoming pathway of introns with IEPs naturally lacking endonuclease activity, like the Sinorhizobium meliloti intron RmInt1, is thought to involve insertion of the intron RNA into the template for lagging strand DNA synthesis ahead of the replication fork, with possible use of the nascent strand to prime reverse transcription of the intron RNA. The host factors influencing the retrohoming pathway of such introns have not yet been described. Here, we identify key candidates likely to be involved in early and late steps of RmInt1 retrohoming. Some of these host factors are common to En+ group II intron retrohoming, but some have different functions. Our results also suggest that the retrohoming process of RmInt1 may be less dependent on the intracellular free Mg2+ concentration than those of other group II introns.

Los intérpretes generales de Yucatán: hombres entre dos mundos

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Mark Lentz

2009-01-01

Full Text Available Este artículo se centra en un tipo importante de intermediarios en el Yucatán colonial, los intérpretes generales del Juzgado Privado de Indios de Yucatán. Desde la época de Gaspar Antonio Chi en 1580 hasta la desaparición de esta corte en la década de 1820, estos hombres mediaron directamente en disputas de propiedades, quejas contra las autoridades, y tradujeron decretos inicialmente publicados en español para la mayoría maya hablante de la provincia. Sus actividades demuestran que Yucatán poseyó un alto número de individuos que dominaron tanto el maya como el español hasta finales del periodo colonial. Además, la cantidad de individuos calificados sirviendo extra oficial mente como intérpretes durante finales del siglo dieciocho, y el sorprendente número de no-mayas que necesitaron sus servicios, muestran también que el periodo colonial fue una época en la que el maya se extendió como lenguaje predominante en Yucatán, en lugar de una época de declive para ese idioma.This paper focuses one type of important intermediaries of colonial Yucatan, the general interpreters of Yucatan's Juzgado Privado de Indios. From the time of Gaspar Antonio Chi in 1580 until the demise of this court in the 1820s, these men mediated directly in land disputes, complaints against priests and other officials, and translated decrees initially published in Spanish for the province's Maya-speaking majority. The activities of the interpreters demonstrate that Yucatan had a high number of individuals literate and fluent in both Maya and Spanish until the close of the colonial period. Furthermore, the quantity of qualified individuals serving unofficially as interpreters during the late eighteenth century and the surprising number of non-Mayas in need of their services also shows that the colonial period was a time in which Maya spread as the predominant language of Yucatan rather than a time of decline for the region's native language.

Contribution à l'étude de la gestion intégrée de la fertilité du sol pour ...

African Journals Online (AJOL)

Contribution à l'étude de la gestion intégrée de la fertilité du sol pour la culture de maïs (Zea mays) dans la Région de Mbujimayi, RDC. Michel Nkongolo Mulambuila, Jean Michel Mutombo Tshibamba, Justin Cibanda Mutombo, Pierrot Muka Mulamba, Thèrese Masengu Tshibuyi, Grégoire Tshibangu Kabongo ...

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).

ChemCam results from the Shaler outcrop in Gale crater, Mars

Science.gov (United States)

Anderson, Ryan B.; Bridges, J.C.; Williams, A.; Edgar, L.; Ollila, A.; Williams, J.; Nachon, Marion; Mangold, N.; Fisk, M.; Schieber, J.; Gupta, S.; Dromart, G.; Wiens, R.; Le Mouélic, Stéphane; Forni, O.; Lanza, N.; Mezzacappa, Alissa; Sautter, V.; Blaney, D.; Clark, B.; Clegg, S.; Gasnault, O.; Lasue, J.; Léveillé, Richard; Lewin, E.; Lewis, K.W.; Maurice, S.; Newsom, H.; Schwenzer, S.P.; Vaniman, D.

2015-01-01

The ChemCam campaign at the fluvial sedimentary outcrop “Shaler” resulted in observations of 28 non-soil targets, 26 of which included active laser induced breakdown spectroscopy (LIBS), and all of which included Remote Micro-Imager (RMI) images. The Shaler outcrop can be divided into seven facies based on grain size, texture, color, resistance to erosion, and sedimentary structures. The ChemCam observations cover Facies 3 through 7. For all targets, the majority of the grains were below the limit of the RMI resolution, but many targets had a portion of resolvable grains coarser than ∼0.5 mm. The Shaler facies show significant scatter in LIBS spectra and compositions from point to point, but several key compositional trends are apparent, most notably in the average K2O content of the observed facies. Facies 3 is lower in K2O than the other facies and is similar in composition to the “snake,” a clastic dike that occurs lower in the Yellowknife Bay stratigraphic section. Facies 7 is enriched in K2O relative to the other facies and shows some compositional and textural similarities to float rocks near Yellowknife Bay. The remaining facies (4, 5, and 6) are similar in composition to the Sheepbed and Gillespie Lake members, although the Shaler facies have slightly elevated K2O and FeOT. Several analysis points within Shaler suggest the presence of feldspars, though these points have excess FeOT which suggests the presence of Fe oxide cement or inclusions. The majority of LIBS analyses have compositions which indicate that they are mixtures of pyroxene and feldspar. The Shaler feldspathic compositions are more alkaline than typical feldspars from shergottites, suggesting an alkaline basaltic source region, particularly for the K2O-enriched Facies 7. Apart from possible iron-oxide cement, there is little evidence for chemical alteration at Shaler, although calcium-sulfate veins comparable to those observed lower in the stratigraphic section are present. The

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.

2408-IJBCS-Article-Dr Amon Anoh Denis Esdras

African Journals Online (AJOL)

hp

D.E. A. AMON et al. / Int. J. Biol. Chem. Sci. 9(4): 1822-1834, 2015. 1824 végétation est caractérisée par des ilots forestiers, des forêts classées et des formations anthropiques (champs, plantations). Matériel. Le matériel végétal a été composé de la flore ligneuse des agroécosystèmes et des espèces de Loranthaceae.

Modeling Nonlinear Elastic-plastic Behavior of RDX Single Crystals During Indentation

Science.gov (United States)

2012-01-01

single crystals has also been probed using shock experiments (6, 12) and molecular dynamics simulations (12–14). RDX undergoes a polymorphic phase...Patterson, J.; Dreger, Z.; Gupta, Y. Shock-wave Induced Phase Transition in RDX Single Crystals. J. Phys. Chem. B 2007, 111, 10897–10904. 17. Bedrov, D...and Volume Compression of β - HMX and RDX . In Proc. Int. Symp. High Dynamic Pressures; Commissariat a l’Energie Atomique: Paris, 1978; pp 3–8. 24

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.

Feasibility of Integration of Selected Aspects of (CBA) Chemistry, (CHEMS) Chemistry and (PSSC) Physics into a Two Year Physical Science Sequence.

Science.gov (United States)

Fiasca, Michael Aldo

Compared, for selected outcomes, were integrated chemistry-physics courses with chemistry and physics courses taught separately. Three classes studying integrated Physical Science Study Committee (PSSC)-Chemical Bond Approach (CBA), and three classes studying integrated Physical Science Study Committee-Chemical Education Materials Study (CHEMS)…

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.

A statistical downscaling approach for roadside NO2 concentrations: Application to a WRF-Chem study for Berlin

Science.gov (United States)

Kuik, Friderike; Lauer, Axel; von Schneidemesser, Erika; Butler, Tim

2017-04-01

Many European cities continue to struggle with meeting the European air quality limits for NO2. In Berlin, Germany, most of the exceedances in NO2 recorded at monitoring sites near busy roads can be largely attributed to emissions from traffic. In order to assess the impact of changes in traffic emissions on air quality at policy relevant scales, we combine the regional atmosphere-chemistry transport model WRF-Chem at a resolution of 1kmx1km with a statistical downscaling approach. Here, we build on the recently published study evaluating the performance of a WRF-Chem setup in representing observed urban background NO2 concentrations from Kuik et al. (2016) and extend this setup by developing and testing an approach to statistically downscale simulated urban background NO2 concentrations to street level. The approach uses a multilinear regression model to relate roadside NO2 concentrations observed with the municipal monitoring network with observed NO2 concentrations at urban background sites and observed traffic counts. For this, the urban background NO2 concentrations are decomposed into a long term, a synoptic and a diurnal component using the Kolmogorov-Zurbenko filtering method. We estimate the coefficients of the regression model for five different roadside stations in Berlin representing different street types. In a next step we combine the coefficients with simulated urban background concentrations and observed traffic counts, in order to estimate roadside NO2 concentrations based on the results obtained with WRF-Chem at the five selected stations. In a third step, we extrapolate the NO2 concentrations to all major roads in Berlin. The latter is based on available data for Berlin of daily mean traffic counts, diurnal and weekly cycles of traffic as well as simulated urban background NO2 concentrations. We evaluate the NO2 concentrations estimated with this method at street level for Berlin with additional observational data from stationary measurements and

Interpreting aerosol lifetimes using the GEOS-Chem model and constraints from radionuclide measurements

Energy Technology Data Exchange (ETDEWEB)

Croft, B. [Dalhousie Univ., Halifax (Canada). Dept. of Physics and Atmospheric Science; Pierce, J.R. [Dalhousie Univ., Halifax (Canada). Dept. of Physics and Atmospheric Science; Colorado State Univ., Fort Collins, CO (United States); Martin, R.V. [Dalhousie Univ., Halifax (Canada). Dept. of Physics and Atmospheric Science; Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)

2014-07-01

Aerosol removal processes control global aerosol abundance, but the rate of that removal remains uncertain. A recent study of aerosol-bound radionuclide measurements after the Fukushima Daiichi nuclear power plant accident documents {sup 137}Cs removal (e-folding) times of 10.0-13.9 days, suggesting that mean aerosol lifetimes in the range of 3-7 days in global models might be too short by a factor of two. In this study, we attribute this discrepancy to differences between the e-folding and mean aerosol lifetimes. We implement a simulation of {sup 137}Cs and {sup 133}Xe into the GEOS-Chem chemical transport model and examine the removal rates for the Fukushima case. We find a general consistency between modelled and measured e-folding times. The simulated {sup 137}Cs global burden e-folding time is about 14 days. However, the simulated mean lifetime of aerosol-bound {sup 137}Cs over a 6-month post-accident period is only 1.8 days. We find that the mean lifetime depends strongly on the removal rates in the first few days after emissions, before the aerosols leave the boundary layer and are transported to altitudes and latitudes where lifetimes with respect to wet removal are longer by a few orders of magnitude. We present sensitivity simulations that demonstrate the influence of differences in altitude and location of the radionuclides on the mean lifetime. Global mean lifetimes are shown to strongly depend on the altitude of injection. The global mean {sup 137}Cs lifetime is more than one order of magnitude greater for the injection at 7 km than into the boundary layer above the Fukushima site. Instantaneous removal rates are slower during the first few days after the emissions for a free tropospheric versus boundary layer injection and this strongly controls the mean lifetimes. Global mean aerosol lifetimes for the GEOS-Chem model are 3-6 days, which is longer than that for the {sup 137}Cs injected at the Fukushima site (likely due to precipitation shortly after

Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

Science.gov (United States)

Mitin, Alexander V

2013-09-05

The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

Temperature-referenced high-sensitivity point-probe optical fiber chem-sensors based on cladding etched fiber Bragg gratings

OpenAIRE

Zhou, Kaiming; Chen, Xianfeng F.; Zhang, Lin; Bennion, Ian

2004-01-01

Point-probe optical fiber chem-sensors have been implemented using cladding etched fiber Bragg gratings. The sensors possess refractive index sensing capability that can be utilized to measure chemical concentrations. The Bragg wavelength shift reaches 8 nm when the index of surrounding medium changes from 1.33 to 1.44, giving maximum sensitivity more than 10 times higher than that of previously reported devices. More importantly, the dual-grating configuration of the point-probe sensors offe...

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

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.

Preliminary results on σZ and τint fluctuations as a function of incident energy in dissipative heavy ion collisions

International Nuclear Information System (INIS)

Berceanu, I.; Andronic, A.; Duma, M.

1998-01-01

Non-statistical fluctuations in the excitation functions (EF) of dissipative heavy ion collisions (DHIC) was rather unexpected due to the fact that cross sections are always obtained on a 'coarse cell' of TKEL and θ cm . The contribution of a large number of microchannels, N, is expected to attenuate the amplitude of such fluctuations as σ(E) has a χ 2 distribution with 2N degrees of freedom. In the framework of the Partially Overlapping Molecular Levels the observation of the fluctuations of the cross section as a function of the incident energy is explained by the fact that the levels of the dinuclear system formed in the first stage of a dissipative process are excited in a region of low density situated in the vicinity of the yrast line. The time evolution of dinuclear (DNS) system with different mass asymmetries with the total mass of the nuclear system 19 F + 27 Al system configuration and its time evolution, the excitation function for this system has been measured between 111.4 MeV and 136.9 MeV with a 250 keV energy step. Fluctuations with amplitude larger than the statistical errors were observed. Large Z and angular cross correlation coefficients show their nonstatistical nature. An average energy correlation width of 170±65 keV, to which corresponds a DNS lifetime τ int (3.9 ± 1.1)·10 -21 s, was obtained by the energy autocorrelation function (EAF). The experimental EAF secondary structure period agrees with that predicted by Kun model when the deformation of the outgoing fragments is taken into account. To get more insight in the reaction mechanism, the dependence of the charge distribution variance for two total kinetic energy loss windows, W1 = 20 ± 2.5 and W2 = 30 ± 2.5 MeV, was obtained as a function of E lab . The second moments of the experimental charge distributions have been calculated and the obtained values were represented for W1 and W2. Fluctuations with quite large amplitude are present. In a transport approach of deep inelastic

Validating the WRF-Chem model for wind energy applications using High Resolution Doppler Lidar data from a Utah 2012 field campaign

Science.gov (United States)

Mitchell, M. J.; Pichugina, Y. L.; Banta, R. M.

2015-12-01

Models are important tools for assessing potential of wind energy sites, but the accuracy of these projections has not been properly validated. In this study, High Resolution Doppler Lidar (HRDL) data obtained with high temporal and spatial resolution at heights of modern turbine rotors were compared to output from the WRF-chem model in order to help improve the performance of the model in producing accurate wind forecasts for the industry. HRDL data were collected from January 23-March 1, 2012 during the Uintah Basin Winter Ozone Study (UBWOS) field campaign. A model validation method was based on the qualitative comparison of the wind field images, time-series analysis and statistical analysis of the observed and modeled wind speed and direction, both for case studies and for the whole experiment. To compare the WRF-chem model output to the HRDL observations, the model heights and forecast times were interpolated to match the observed times and heights. Then, time-height cross-sections of the HRDL and WRF-Chem wind speed and directions were plotted to select case studies. Cross-sections of the differences between the observed and forecasted wind speed and directions were also plotted to visually analyze the model performance in different wind flow conditions. A statistical analysis includes the calculation of vertical profiles and time series of bias, correlation coefficient, root mean squared error, and coefficient of determination between two datasets. The results from this analysis reveals where and when the model typically struggles in forecasting winds at heights of modern turbine rotors so that in the future the model can be improved for the industry.

Comments on the reactions of carbohydrate peroxy radicals in relation to the lyoluminescent behaviour of irradiated carbohydrates

International Nuclear Information System (INIS)

Baugh, P.J.; Mahjani, M.G.

1977-01-01

Reference is made to recent work on lyoluminescence: the emission of visible light from irradiated tissue equivalent solids such as carbohydrates when dissolved in aqueous solutions (Atari et al., Radiat. Effects; 17:45(1973); and ibid.; 20: 135 (1973); and Baugh et al., Int.J.Radiat.Phys. Chem.(in press)). In the present communication the consequences of the fast elimination of the hydroperoxy radicals from carbohydrate peroxy radicals are considered in a further study of the chemical reactions involved. (U.K.)

The ChemScreen project to design a pragmatic alternative approach to predict reproductive toxicity of chemicals

DEFF Research Database (Denmark)

van der Burg, Bart; Wedebye, Eva Bay; Dietrich, Daniel R.

2015-01-01

to validate the test panel using mechanistic approaches. We are actively engaged in promoting regulatory acceptance of the tools developed as an essential step towards practical application, including case studies for read-across purposes. With this approach, a significant saving in animal use and associated......There is a great need for rapid testing strategies for reproductive toxicity testing, avoiding animal use. The EU Framework program 7 project ChemScreen aimed to fill this gap in a pragmatic manner preferably using validated existing tools and place them in an innovative alternative testing...

ChemCam Passive Sky Spectroscopy at Gale Crater, Mars: Interannual Variability in Dust Aerosol Particle Size, Missing Water Vapor, and the Molecular Oxygen Problem

Science.gov (United States)

McConnochie, T. H.; Smith, M. D.; Wolff, M. J.; Bender, S. C.; Lemmon, M. T.; Wiens, R. C.; Maurice, S.; Gasnault, O.; Lasue, J.; Meslin, P. Y.; Harri, A. M.; Genzer, M.; Kemppinen, O.; Martinez, G.; DeFlores, L. P.; Blaney, D. L.; Johnson, J. R.; Bell, J. F., III; Trainer, M. G.; Lefèvre, F.; Atreya, S. K.; Mahaffy, P. R.; Wong, M. H.; Franz, H. B.; Guzewich, S.; Villanueva, G. L.; Khayat, A. S.

2017-12-01

The Mars Science Laboratory's (MSL) ChemCam spectrometer measures atmospheric aerosol properties and gas abundances by operating in passive mode and observing scattered sky light at two different elevation angles. We have previously [e. g. 1, 2] presented the methodology and results of these ChemCam Passive Sky observations. Here we will focus on three of the more surprising results that we have obtained: (1) depletion of the column water vapor at Gale Crater relative to that of the surrounding region combined with a strong enhancement of the local column water vapor relative to pre-dawn in-situ measurements, (2) an interannual change in the effective particle size of dust aerosol during the aphelion season, and (3) apparent seasonal and interannual variability in molecular oxygen that differs significantly from the expected behavior of a non-condensable trace gas and differs significantly from global climate model expectations. The ChemCam passive sky water vapor measurements are quite robust but their interpretation depends on the details of measurements as well as on the types of water vapor vertical distributions that can be produced by climate models. We have a high degree of confidence in the dust particle size changes but since aerosol results in general are subject to a variety of potential systematic effects our particle size results would benefit from confirmation by other techniques [c.f. 3]. For the ChemCam passive sky molecular oxygen results we are still working to constrain the uncertainties well enough to confirm the observed surprising behavior, motivated by similarly surprising atmospheric molecular oxygen variability observed by MSL's Sample Analysis at Mars (SAM) instrument [4]. REFERENCES: [1] McConnochie, et al. (2017), Icarus (submitted). [2] McConnochie, et al. (2017), abstract # 3201, The 6th International Workshop on the Mars Atmosphere: Granada, Spain. [3] Vicente-Retortillo et al. (2017), GRL, 44. [4] Trainer et al. (2017), 2017 AGU Fall

Les migrantes, la sécurité économique et le défi de la réintégration ...

International Development Research Centre (IDRC) Digital Library (Canada)

Ce projet portera sur la réintégration de Philippines revenant au pays après leur passage dans les importants centres d'activités de Hong Kong, Taïwan et Singapour. La recherche sera dirigée par aidha, un organisme à but non lucratif qui offre aux travailleuses migrantes, en particulier aux aides familiales, des formations ...

Élaboration d'une stratégie de lutte intégrée contre la pollution de l ...

International Development Research Centre (IDRC) Digital Library (Canada)

Élaboration d'une stratégie de lutte intégrée contre la pollution de l'eau à Yorito, au Honduras. Le Honduras connaît des problèmes chroniques de gestion des eaux usées et des déchets solides. Dans le cadre de réformes de décentralisation effectuées récemment, un projet de gestion des déchets axé sur la collectivité ...

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…

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.

O intérprete universitário da Língua Brasileira de Sinais na cidade de Curitiba A sign language university level interpreter working in the city of Curitiba

Directory of Open Access Journals (Sweden)

Ana Cristina Guarinello

2008-04-01

Full Text Available No Brasil, o trabalho com intérpretes em Língua Brasileira de Sinais iniciou-se nos anos 80 e pode, dessa forma, ser considerado recente, assim como também é recente a legitimidade da sua importância que ainda está em processo de consolidação. A presente pesquisa tem como principal objetivo discutir e explicitar questões relativas ao trabalho de intérpretes de língua de sinais em uma universidade e dois centros universitários particulares da cidade de Curitiba. Para isto foram aplicados dois questionários para dois grupos distintos, um voltado para os intérpretes que atuam em universidades da cidade de Curitiba, e outro voltado para os surdos universitários que possuem intérpretes em sala de aula. Ambos os questionários continham questões abertas e fechadas. De acordo com as análises dos dados, constatou-se a importância dos intérpretes em sala de aula para o processo de aprendizagem dos estudantes surdos. Contudo, verificou-se também uma série de questões que subjaze a discussão sobre a efetividade no contexto da interpretação, tais como: qualidade na formação dos intérpretes, conhecimento antecipado da disciplina para a tradução, dificuldade na relação Língua Portuguesa/LIBRAS, relação intérprete/professor, dentre outras. A partir dessas considerações, vemos que, no cenário da educação dos surdos brasileiros, essas questões apenas refletem o descaso das autoridades com relação à educação dessa população, assim como evidenciam as dificuldades lingüísticas e sociais relativas à surdez. Esse trabalho apresenta-se, nessa direção, como o início de uma reflexão sobre o contexto do intérprete universitário, porém, muito ainda precisa ser entendido para que mudanças mais efetivas possam ser realizadas.In Brazil, work with Brazilian sign language (Libras interpreters began in the eighties, so this can be said to be a recent proposal, as is recent the consideration of sign language as a

INITIAL DATA RELEASE OF THE KEPLER-INT SURVEY

Energy Technology Data Exchange (ETDEWEB)

Greiss, S.; Steeghs, D.; Gaensicke, B. T. [Department of Physics, Astronomy and Astrophysics group, University of Warwick, CV4 7AL Coventry (United Kingdom); Martin, E. L. [INTA-CSIC Centro de Astrobiologia, Carretera de Ajalvir km 4, 28550 Torrejon de Ardoz (Spain); Groot, P. J.; Verbeek, K.; Jonker, P. G.; Scaringi, S. [Department of Astrophysics/IMAPP, Radboud University Nijmegen, P.O. Box 9010, 6500 GL Nijmegen (Netherlands); Irwin, M. J.; Gonzalez-Solares, E. [Cambridge Astronomy Survey Unit, Institute of Astronomy, University of Cambridge, Madingley Road, CB3 0HA Cambridge (United Kingdom); Greimel, R. [Institut fuer Physik, Karl-Franzen Universitaet Graz, Universitaetsplatz 5, 8010 Graz (Austria); Knigge, C. [School of Physics and Astronomy, University of Southampton, Southampton, Hampshire SO17 1BJ (United Kingdom); Ostensen, R. H. [Instituut voor Sterrenkunde, KU Leuven, Celestijnenlaan 200D, 3001 Leuven (Belgium); Drew, J. E.; Farnhill, H. [Centre for Astrophysics Research, University of Hertfordshire, College Lane, Hatfield AL10 9AB (United Kingdom); Drake, J.; Wright, N. J. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Ripepi, V. [INAF-Osservatorio Astronomico di Capodimonte, via Moiariello 16, Naples I-80131 (Italy); Southworth, J. [Astrophysics Group, Keele University, Newcastle-under-Lyme ST5 5BG (United Kingdom); Still, M., E-mail: s.greiss@warwick.ac.uk [NASA Ames Research Center, M/S 244-40, Moffett Field, CA 94035 (United States); and others

2012-07-15

This paper describes the first data release of the Kepler-INT Survey (KIS) that covers a 116 deg{sup 2} region of the Cygnus and Lyra constellations. The Kepler field is the target of the most intensive search for transiting planets to date. Despite the fact that the Kepler mission provides superior time-series photometry, with an enormous impact on all areas of stellar variability, its field lacks optical photometry complete to the confusion limit of the Kepler instrument necessary for selecting various classes of targets. For this reason, we follow the observing strategy and data reduction method used in the IPHAS and UVEX galactic plane surveys in order to produce a deep optical survey of the Kepler field. This initial release concerns data taken between 2011 May and August, using the Isaac Newton Telescope on the island of La Palma. Four broadband filters were used, U, g, r, i, as well as one narrowband one, H{alpha}, reaching down to a 10{sigma} limit of {approx}20th mag in the Vega system. Observations covering {approx}50 deg{sup 2}, thus about half of the field, passed our quality control thresholds and constitute this first data release. We derive a global photometric calibration by placing the KIS magnitudes as close as possible to the Kepler Input Catalog (KIC) photometry. The initial data release catalog containing around 6 million sources from all the good photometric fields is available for download from the KIS Web site (www.astro.warwick.ac.uk/research/kis/) as well as via MAST (KIS magnitudes can be retrieved using the MAST enhanced target search page http://archive.stsci.edu/kepler/kepler{sub f}ov/search.php and also via Casjobs at MAST Web site http://mastweb.stsci.edu/kplrcasjobs/).

INITIAL DATA RELEASE OF THE KEPLER-INT SURVEY

International Nuclear Information System (INIS)

Greiss, S.; Steeghs, D.; Gänsicke, B. T.; Martín, E. L.; Groot, P. J.; Verbeek, K.; Jonker, P. G.; Scaringi, S.; Irwin, M. J.; González-Solares, E.; Greimel, R.; Knigge, C.; Østensen, R. H.; Drew, J. E.; Farnhill, H.; Drake, J.; Wright, N. J.; Ripepi, V.; Southworth, J.; Still, M.

2012-01-01

This paper describes the first data release of the Kepler-INT Survey (KIS) that covers a 116 deg 2 region of the Cygnus and Lyra constellations. The Kepler field is the target of the most intensive search for transiting planets to date. Despite the fact that the Kepler mission provides superior time-series photometry, with an enormous impact on all areas of stellar variability, its field lacks optical photometry complete to the confusion limit of the Kepler instrument necessary for selecting various classes of targets. For this reason, we follow the observing strategy and data reduction method used in the IPHAS and UVEX galactic plane surveys in order to produce a deep optical survey of the Kepler field. This initial release concerns data taken between 2011 May and August, using the Isaac Newton Telescope on the island of La Palma. Four broadband filters were used, U, g, r, i, as well as one narrowband one, Hα, reaching down to a 10σ limit of ∼20th mag in the Vega system. Observations covering ∼50 deg 2 , thus about half of the field, passed our quality control thresholds and constitute this first data release. We derive a global photometric calibration by placing the KIS magnitudes as close as possible to the Kepler Input Catalog (KIC) photometry. The initial data release catalog containing around 6 million sources from all the good photometric fields is available for download from the KIS Web site (www.astro.warwick.ac.uk/research/kis/) as well as via MAST (KIS magnitudes can be retrieved using the MAST enhanced target search page http://archive.stsci.edu/kepler/kepler_fov/search.php and also via Casjobs at MAST Web site http://mastweb.stsci.edu/kplrcasjobs/).

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

Intégration des Tice et apprentissage de l'enseignement : une approche systémique Integrating technology and learning to teach: a systemic perspective

Directory of Open Access Journals (Sweden)

Francis Bangou

2006-11-01

Full Text Available De nombreuses études soulignent à quel point il est complexe d'analyser les changements pédagogiques entraînés par l'intégration des Tice. Cette recherche-action tente d'analyser de façon systémique les interrelations qu'entretient l'intégration des Tice avec les changements pédagogiques dans le cadre d'un programme de formation d'enseignants en langues étrangères au sein d'une grande université américaine. Le cadre théorique nous permettra tout d'abord de délimiter une perspective systémique et de présenter notre conception de l'intégration des Tice et de l'apprentissage. Puis, nous présenterons notre étude et en résumerons les principaux résultats afin d'illustrer la complexité d'une telle relation.Many studies underline how difficult it is to analyse the pedagogical changes caused by the integration of technology. This action research aims to analyse, from a systemic point of view, the interrelations that exist between the integration of technology and pedagogical change. The study took place in a foreign and second language teacher education program at a large American university. First, we will define a systemic perspective as well as the concepts of technology integration and learning. Then, to illustrate the complexity of such relationship, we will describe our study and summarize the main results.

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.

Errors and improvements in the use of archived meteorological data for chemical transport modeling: an analysis using GEOS-Chem v11-01 driven by GEOS-5 meteorology

Directory of Open Access Journals (Sweden)

K. Yu

2018-01-01

Full Text Available Global simulations of atmospheric chemistry are commonly conducted with off-line chemical transport models (CTMs driven by archived meteorological data from general circulation models (GCMs. The off-line approach has the advantages of simplicity and expediency, but it incurs errors due to temporal averaging in the meteorological archive and the inability to reproduce the GCM transport algorithms exactly. The CTM simulation is also often conducted at coarser grid resolution than the parent GCM. Here we investigate this cascade of CTM errors by using 222Rn–210Pb–7Be chemical tracer simulations off-line in the GEOS-Chem CTM at rectilinear 0.25°  ×  0.3125° (≈ 25 km and 2°  ×  2.5° (≈ 200 km resolutions and online in the parent GEOS-5 GCM at cubed-sphere c360 (≈ 25 km and c48 (≈ 200 km horizontal resolutions. The c360 GEOS-5 GCM meteorological archive, updated every 3 h and remapped to 0.25°  ×  0.3125°, is the standard operational product generated by the NASA Global Modeling and Assimilation Office (GMAO and used as input by GEOS-Chem. We find that the GEOS-Chem 222Rn simulation at native 0.25°  ×  0.3125° resolution is affected by vertical transport errors of up to 20 % relative to the GEOS-5 c360 online simulation, in part due to loss of transient organized vertical motions in the GCM (resolved convection that are temporally averaged out in the 3 h meteorological archive. There is also significant error caused by operational remapping of the meteorological archive from a cubed-sphere to a rectilinear grid. Decreasing the GEOS-Chem resolution from 0.25°  ×  0.3125° to 2°  ×  2.5° induces further weakening of vertical transport as transient vertical motions are averaged out spatially and temporally. The resulting 222Rn concentrations simulated by the coarse-resolution GEOS-Chem are overestimated by up to 40 % in surface air relative to the

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

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

Comparaison de populations de carpe commune (Cyprinus carpio à taille commerciale : intérêt d'une approche globale

Directory of Open Access Journals (Sweden)

PEREIRA V.

1999-07-01

Une discrimination géographique des populations est possible mais elle repose sur une approche globale intégrant l'ensemble des paramètres. Les différences semblent essentiellement liées aux conditions environnementales et permettent de distinguer les lots issus des régions où l'élevage est plus intensif et traditionnellement centré sur la carpe (Dombes, Forez, Lorraine et les lots correspondant à un élevage plus extensif et davantage orienté vers le marché du repeuplement (Allier, Brenne, Poitou-Charentes.

Intérprete surdo de língua de sinais brasileira: o novo campo de tradução / interpretação cultural e seu desafio

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Ana Regina e Souza Campello

2014-07-01

  Esse artigo é o resultado da pesquisa que trata da nova modalidade de tradução/interpretação de línguas de sinais dos intérpretes Surdos, observando a norma surda (STONE, 2009 apud SOUZA, 2010. Recentemente surgiu esse novo campo de tradução no contexto educacional do ensino a distância: o da tradução e interpretação do ator/tradutor e finalmente e intérprete de uma língua de sinais para outra língua de sinais (SEGALA, 2010; SOUZA, 2010. Estas atividades de tradução e interpretação têm sido desempenhadas por Surdos bilíngues intermodais. Exatamente por representar um novo campo de estudo, este artigo apresenta a sua constituição.

L'effet pro-concurrentiel de l'intégration européenne:

DEFF Research Database (Denmark)

Bellone, Flora; Musso, Patrick; Nesta, Lionel

En situation de concurrence pure et parfaite, les décisions par les entreprises de quantité produites et d'utilisation des facteurs s'effectuent en égalisant le prix du marché de bien final avec le coût marginal. En situation de concurrence imparfaite, cette égalisation n'est plus respectée, les...... firmes ayant intérêt d'utiliser leur pouvoir de marché pour fixer un prix au-delà de leur coût marginal. Dans cet article, nous mesurons les taux de marge, définis comme l'écart en pourcentage entre le prix de vente et le coût marginal, à partir de données d'entreprises pour 14 industries manufacturières...... françaises de 1986 à 2004. Nous observons que le taux de marge moyen, sur l'ensemble de la période et sur l'ensemble des industries, est de 13,8%, ce qui est légèrement supérieur au Royaume-Uni.  Nous trouvons que la mise en place du marché commun a conduit à une diminution de 4 à 5% des marges, alors que l...

Os intérpretes e a formação do Brasil: os quatro primeiros séculos de uma história esquecida

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Dennys Silva-Reis

2016-09-01

Full Text Available http://dx.doi.org/10.5007/2175-7968.2016v36n3p81 A formação histórica do Brasil muito deveu ao trabalho indispensável dos intérpretes desde o chamado “descobrimento” até bem avançado o século XIX. Neste artigo, destacamos a necessidade de conceder maior visibilidade aos intérpretes e à sua contribuição para a história cultural e linguística do Brasil, de modo que se comece a traçar um retrato mais fidedigno das complexas relações entre línguas, povos e culturas que caracterizaram os quatro primeiros séculos dessa história. Para tanto, destacamos o papel desses agentes culturais para uma reescrita da história da tradução no Brasil. Estes que permanecem marginalizados ou mesmo invisíveis na historiografia geral se tornam aqui agentes primordiais para a formação histórica do Brasil em todas as suas etapas.

Link between structural and mechanical stability of fcc- and bcc-based ordered MgeLi alloys

CSIR Research Space (South Africa)

Phasha, MJ

2010-06-01

Full Text Available ) pseudopotential method, embodied in the CASTEP code [10]. The Hohenberg-Kohn-Sham density functional theory (DFT) [11] was used 5 within the GGA formalism [12] to describe the electronic exchange-correlation interactions. We used the recent PBE form..., Int. J. Quantum Chem. 77 (2000) 895. [11] P. Hohenberg and W. Kohn, Phys. Rev. 136, B 864 (1964), W. Kohn and L.J. Sham, Phys. Rev. 140 (1965) A 1133. [12] J.P. Perdew and Y. Wang, Phys. Rev. B 45 (1992) 13244. [13] J.P. Perdew, K. Burke and M...

Coiled-coil formation of the membrane-fusion K/E peptides viewed by electron paramagnetic resonance.

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Pravin Kumar

Full Text Available The interaction of the complementary K (Ac-(KIAALKE3-GW-NH2 and E (Ac-(EIAALEK3-GY-NH2 peptides, components of the zipper of an artificial membrane fusion system (Robson Marsden H. et al. Angew Chemie Int Ed. 2009 is investigated by electron paramagnetic resonance (EPR. By frozen solution continuous-wave EPR and double electron-electron resonance (DEER, the distance between spin labels attached to the K- and to the E-peptide is measured. Three constructs of spin-labelled K- and E-peptides are used in five combinations for low temperature investigations. The K/E heterodimers are found to be parallel, in agreement with previous studies. Also, K homodimers in parallel orientation were observed, a finding that was not reported before. Comparison to room-temperature, solution EPR shows that the latter method is less specific to detect this peptide-peptide interaction. Combining frozen solution cw-EPR for short distances (1.8 nm to 2.0 nm and DEER for longer distances thus proves versatile to detect the zipper interaction in membrane fusion. As the methodology can be applied to membrane samples, the approach presented suggests itself for in-situ studies of the complete membrane fusion process, opening up new avenues for the study of membrane fusion.

Quantum Effects in Molecule-Based Nanomagnets

Science.gov (United States)

Hill, Stephen

2005-11-01

Research into molecule-based-magnets has made immense strides in recent years, with the discoveries of all organic molecular magnets, room temperature 3D ordered permanent magnets, and single-molecule magnets (SMMs), the latter exhibiting a host of spectacular quantum phenomena; for a review, see ref. [1]. SMMs represent a molecular approach to nanoscale and sub-nanoscale magnetic particles. They offer all of the advantages of molecular chemistry as well as displaying the superparamagnetic properties of mesoscale magnetic particles of much larger dimensions. They also straddle the interface between classical and quantum behavior; for example, they exhibit quantum tunneling of their magnetization. I will give a general introduction to this area of research, followed by an overview of recent results obtained using high-frequency (40-800 GHz) electron paramagnetic resonance techniques developed at the University of Florida. These results include: an elucidation of the role of molecular symmetry in the magnetic quantum tunneling phenomenon [2]; and the observation of quantum entanglement between pairs of nanomagnets within a supramolecular dimer [3]. 1. D. Gatteschi and R. Sessoli, Angew. Chem. 42, 268 (2003). 2. E. del Barco et al., J. Low Temp. Phys. 140, 119-174 (2005). 3. S. Hill et al., Science 302, 1015 (2003).

Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

Science.gov (United States)

Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

2018-05-01

Through density functional theory based calculations, we study the adsorption and diffusion of tin phthalocyanine (SnPc) molecule on Au(111) and Cu(111) surfaces. SnPc has two conformers with Sn pointing to the vacuum (Sn-up) and substrate (Sn-down), respectively. The binding energies of the two conformers with different adsorption sites on the two surfaces, including top, bridge, fcc, hcp, are calculated and compared. It is found that the SnPc molecule binds stronger on Cu(111) surface, with binding energy about 1 eV larger than that on Au(111). Only the bridge and top adsorption sites are stable on Cu(111), while all the four adsorption sites are stable on Au(111), with small diffusion barriers between them. Moreover, the flipping barrier from Sn-up to Sn-down conformer is of the same magnitude on the two metal surfaces. These results are consistent with a recent experiment [Zhang, et al., Angew. Chem., 56, 11769 (2017)], which shows that conformation change from Sn-up to Sn-down on Cu(111) surface can be induced by a C60-functionalized STM tip, while similar change is difficult to realize on Au(111), due to smaller diffusion barrier on Au(111).

Identification and synchronization of the common cosmic-ray signal in the IntCal13 14C calibration and the Greenland ice-core 10Be records

Science.gov (United States)

Muscheler, Raimund; Adolphi, Florian; Bronk Ramsey, Christopher; Rasmussen, Sune; Hughen, Konrad; Cooper, Alan; Turney, Chris

2017-04-01

The production rates of cosmogenic radionuclides (such as 10Be and 14C) are modulated by the solar and geomagnetic shielding of galactic cosmic rays. In addition, 14C and 10Be are influenced by the carbon cycle and the atmospheric transport and deposition, respectively. Isolating and identifying the common production signal allows us to synchronize ice core 10Be and tree ring 14C records during the Holocene (Adolphi and Muscheler, 2016), thereby connecting ice core climate records with 14C-dated records. Extending this comparison further back in time is challenging due to deteriorating quality of the 14C calibration record, IntCal13, (Reimer et al., 2013) and possible unidentified climate influences on the ice-core 10Be records. Nevertheless, by focusing on the most prominent production-rate features this comparison can be extended far back into the last glacial where, for example, the linkage of tree-ring based Kauri 14C data and the Greenland ice-core time scale (GICC05) suggested unresolved data and/or time scale differences around the period of the Laschamp geomagnetic field minimum at about 42000 yrs BP (Muscheler et al., 2014). Here we show that the data underlying the IntCal13 14C record and the ice-core 10Be records exhibit common variability that allows us to tentatively link the ice core GICC05 time scale to the radiocarbon time scale for almost the complete radiocarbon dating range. The observed time scale differences could be related to uncertainties in both the U/Th-based dating of the IntCal13 calibration data set and the GICC05 time scale, and we show that the two can be reconciled within the uncertainties of the ice-core layer counting. This direct comparison between IntCal13 and 10Be also suggests that the 14C differences shown in (Muscheler et al., 2014) around the Laschamp geomagnetic field minimum can be reduced by moderate adjustments to the GICC05 time scale. References: Adolphi, F., and Muscheler, R., 2016, Synchronizing the Greenland ice

Source apportionment of atmospheric mercury pollution in China using the GEOS-Chem model.

Science.gov (United States)

Wang, Long; Wang, Shuxiao; Zhang, Lei; Wang, Yuxuan; Zhang, Yanxu; Nielsen, Chris; McElroy, Michael B; Hao, Jiming

2014-07-01

China is the largest atmospheric mercury (Hg) emitter in the world. Its Hg emissions and environmental impacts need to be evaluated. In this study, China's Hg emission inventory is updated to 2007 and applied in the GEOS-Chem model to simulate the Hg concentrations and depositions in China. Results indicate that simulations agree well with observed background Hg concentrations. The anthropogenic sources contributed 35-50% of THg concentration and 50-70% of total deposition in polluted regions. Sensitivity analysis was performed to assess the impacts of mercury emissions from power plants, non-ferrous metal smelters and cement plants. It is found that power plants are the most important emission sources in the North China, the Yangtze River Delta (YRD) and the Pearl River Delta (PRD) while the contribution of non-ferrous metal smelters is most significant in the Southwest China. The impacts of cement plants are significant in the YRD, PRD and Central China. Copyright © 2014 Elsevier Ltd. All rights reserved.

L’intérêt historiographique des manuscrits de travail de linguistes : l’exemple de la linguistique générale de Joseph Vendryes

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Testenoire Pierre-Yves

2016-01-01

Full Text Available Dans quelle mesure les manuscrits de travail des linguistes présentent-ils un intérêt pour les historiens de la linguistique ? Ce type de documents suscite, depuis quelques années, un regain indéniable de curiosité. L’exploration d’un nombre croissant de fonds d’archives de savants permet, au-delà d’un élargissement de l’horizon documentaire, d’envisager des approches comparatives entre différentes pratiques savantes. Elle ouvre aussi de nouvelles interrogations. Cet article réfléchit à l’intérêt historiographique de ce type de documents à partir d’un cas inédit : les papiers de travail consacrés à la linguistique générale du linguiste français, Joseph Vendryes (1875-1960. On met en évidence le double intérêt des archives privées de savants : documentaire et processuel. On aborde, dans un premier temps, les manuscrits d’un point de vue documentaire de façon à dégager ce que leur prise en compte modifie de notre connaissance de la linguistique générale de Joseph Vendryes. Le deuxième temps, consacré à la perspective processuelle, fait des manuscrits le lieu de l’observation de la méthode. Il s’agit d’analyser, à partir des manuscrits préparatoires à l’écriture d’un article, comment s’élabore un discours scientifique à caractère général sur le langage et les langues. Ces archives privées sont au carrefour de questionnements de recherche qui relèvent aussi bien d’une histoire conceptuelle que d’une histoire sociale des sciences du langage.

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

Energy Technology Data Exchange (ETDEWEB)

Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Gonthier, Jérôme F. [Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

2015-12-14

We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.

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.

Adjuvant therapy for gastric cancer: what have we learned since INT0116?

Science.gov (United States)

Jácome, Alexandre A; Sankarankutty, Ajith K; dos Santos, José Sebastião

2015-04-07

Gastric cancer is one of the main cancer-related causes of death worldwide. The curative treatment of gastric cancer consists of tumor resection and lymphadenectomy. However, surgical treatment alone is associated with high recurrence rates. Adjuvant treatment strategies have been studied over the last decades, but there have been controversial results from the initial studies. The pivotal INT0116 study demonstrated that the use of adjuvant chemoradiotherapy with 5-fluorouracil increases relapse-free and overall survival, and it has been adopted across the Western world. The high toxicity of radiochemotherapy and suboptimal surgical treatment employed, with fewer than 10% of the patients submitted to D2 lymphadenectomy, were the main study limitations. Since its publication, other adjuvant treatment modalities have been studied, and radiochemotherapy is being refined to improve its efficacy and safety. A multimodal approach has been demonstrated to significantly increase relapse-free and overall survival, and it can be offered in the form of perioperative chemotherapy, adjuvant chemoradiotherapy or adjuvant chemotherapy, regardless of the extent of lymphadenectomy. The objective of the present review is to report the major advances obtained in the last decades in the adjuvant treatment of gastric cancer as well as the perspectives of treatment based on recent knowledge of the molecular biology of the disease.

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.

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

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

El Sensor Químico (ChemSensor) como herramienta complementaria en el análisis sensorial de vinos

OpenAIRE

Pérez Mateos, Miriam; Giménez Cobo, Lucia; Carrasco Manzano, Juan Atanasio

2012-01-01

El Sensor Químico (ChemSensor) o pseudo-nariz electrónica determina la agrupación de alimentos por similitudes y según la distancias entre grupos, a partir del análisis de espectrometría de masas de los compuestos volátiles y/o los ácidos grasos. Se trata de una herramienta excelente como complemento al análisis sensorial. Es muy útil en la clasificación y predicción de productos alimenticios según su origen, procesado y conservación; en la optimización de procesos y en aplicaciones de contro...

Sujet de droit et sujet d’intérêt : Montesquieu lu par Foucault

Directory of Open Access Journals (Sweden)

Céline Spector

2007-04-01

Full Text Available Dans les cours au Collège de France réunis dans Naissance de la biopolitique, Foucault soutient qu’une science économico-juridique est rigoureusement impossible. Or cette thèse radicale mérite discussion, à partir d’un auteur trop souvent ignoré des historiens de la genèse de l’économie politique. Montesquieu, à sa façon, contribue à la constitution de ce savoir économico-juridique, susceptible de penser ensemble sujet d’intérêt et sujet de droit. L’esprit de cette étude ne sera pas de critiquer Foucault en montrant que Montesquieu ne « rentre » pas dans l’opposition de ses paradigmes, mais plutôt de tenter de mesurer l’originalité d’une pensée qui conçoit des échanges entre propriété et liberté qui ont pour effet d’unifier rationalité économique et rationalité juridique.

L'intégration des TIC dans un environnement éducatif conditionné par le système du 'spoon-feeding.'

OpenAIRE

Saurty , Krishnah Moortee

2013-01-01

Cet article prend son essence dans un projet pédagogique dont la préoccupation est de renforcer les savoirs notamment à travers le concept d'apprentissage intégrant les Technologies de l'Information et de la Communication (Tic) afin de développer des actions éducatives pouvant apporter des réponses réelles aux principes du 'spoon-feeding', véritable pilier du système éducatif mauricien s'appuyant sur le contenu du savoir disciplinaire et conditionnant l'apprenant dans sa capacité à développer...

Design and Development of ChemInfoCloud: An Integrated Cloud Enabled Platform for Virtual Screening.

Science.gov (United States)

Karthikeyan, Muthukumarasamy; Pandit, Deepak; Bhavasar, Arvind; Vyas, Renu

2015-01-01

The power of cloud computing and distributed computing has been harnessed to handle vast and heterogeneous data required to be processed in any virtual screening protocol. A cloud computing platorm ChemInfoCloud was built and integrated with several chemoinformatics and bioinformatics tools. The robust engine performs the core chemoinformatics tasks of lead generation, lead optimisation and property prediction in a fast and efficient manner. It has also been provided with some of the bioinformatics functionalities including sequence alignment, active site pose prediction and protein ligand docking. Text mining, NMR chemical shift (1H, 13C) prediction and reaction fingerprint generation modules for efficient lead discovery are also implemented in this platform. We have developed an integrated problem solving cloud environment for virtual screening studies that also provides workflow management, better usability and interaction with end users using container based virtualization, OpenVz.

AC and dielectric properties of vacuum evaporated InTe bilayer thin films

Energy Technology Data Exchange (ETDEWEB)

Matheswaran, P. [PG and Research, Department of Physics, Kongunadu Arts and Science College (Autonomous), GN Mills (po), Coimbatore 641 029, Tamil Nadu (India); Sathyamoorthy, R., E-mail: rsathya59@gmail.com [PG and Research, Department of Physics, Kongunadu Arts and Science College (Autonomous), GN Mills (po), Coimbatore 641 029, Tamil Nadu (India); Saravanakumar, R. [PG and Research, Department of Physics, Kongunadu Arts and Science College (Autonomous), GN Mills (po), Coimbatore 641 029, Tamil Nadu (India); Velumani, S. [Department of Electrical Engineering (SEES), CINVESTAV-IPN Zacatenco, D.F., 07360 (Mexico)

2010-10-25

III-VI compound semiconductors receive great attention due to its applications in memory devices, switching devices, gas sensors, hybrid solar cells, etc. InTe thin films were prepared by sequential thermal evaporation of In and Te at Ar atmosphere. X-ray diffraction pattern of the films shows that the films posses mixed phase of In{sub 2}Te{sub 3} and In{sub 2}Te{sub 5}. Grain size (D) and dislocation density were calculated by using Scherer's formula. Surface morphology of the film is analyzed by SEM and the surface is found to be agglomeration of well defined grains. EDS analysis reveals that elemental composition is in right stoichiometry. The value of capacitance and tan {delta} was recorded with respect to different frequencies and at different temperatures. It is observed that the capacitance decreases with increase in frequency at all temperatures. The observed nature of the capacitance is due to the inability of the dipoles to orient in a rapidly varying electric field. The pronounced increase in capacitance toward the low frequency region may be attributed to the blocking of charge carriers at the electrodes which leads to space charge layer resulting in the increase of capacitance. The mechanism responsible for AC conduction is found to be electronic hopping. TCC and TCP values were calculated and the results are discussed.

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

Photochemical Pollution Modeling of Ozone at Metropolitan Area of Porto Alegre - RS/Brazil using WRF/Chem

Science.gov (United States)

Cuchiara, G. C.; Carvalho, J.

2013-05-01

One of the main problems related to air pollution in urban areas is caused by photochemical oxidants, particularly troposphere ozone (O3), which is considered a harmful substance. The O3 precursors (carbon monoxide CO, nitrogen oxides NOx and hydrocarbons HCs) are predominantly of anthropogenic origin in these areas, and vehicles are the main emission sources. Due to the increased urbanization and industrial development in recent decades, air pollutant emissions have increased likewise, mainly by mobile sources in the highly urbanized and developed areas, such as the Metropolitan Area of Porto Alegre-RS (MAPA). According to legal regulations implemented in Brazil in 2005, which aimed at increasing the fraction of biofuels in the national energy matrix, 2% biodiesel were supposed to be added to the fuel mixture within three years, and up to 5% after eight years of implementation of these regulations. Our work performs an analysis of surface concentrations for O3, NOx, CO, and HCs through numerical simulations with WRF/Chem (Weather Research and Forecasting model with Chemistry). The model is validated against observational data obtained from the local urban air quality network for the period from January 5 to 9, 2009 (96 hours). One part of the study focused on the comparison of simulated meteorological variables, to observational data from two stations in MAPA. The results showed that the model simulates well the diurnal evolution of pressure and temperature at the surface, but is much less accurate for wind speed. Another part included the evaluation of model results of WRF/Chem for O3 versus observed data at air quality stations Esteio and Porto Alegre. Comparisons between simulated and observed O3 revealed that the model simulates well the evolution of the observed values, but on many occasions the model did not reproduce well the maximum and minimum concentrations. Finally, a preliminary quantitative sensitivity study on the impact of biofuel on the

Enseñar a traducir: metodología en la formación de traductores e intérpretes

OpenAIRE

Santos, Silvana Aguiar dos; Neckel, Filipe

2014-01-01

Amparo Hurtado Albir lançou em 1999 o livro Enseñar a traducir: metodología en la formación de traductores e intérpretes oferecendo uma proposta teórica e metodológica para a formação desses profissionais. O marco teórico que norteia o livro é a noção de competência tradutória e a sua aquisição, assim como, o marco metodológico é embasado na noção de “formação por objetivos e competências” afiliando-se a abordagem por “tarefas de tradução”.

Intégration des pluies prévues du système AROME-PI dans le système AIGA

OpenAIRE

Demargne, J.; Javelle, P.

2015-01-01

/ Cette étude a été réalisée pour le SCHAPI (Service Central d'Hydrométéorologie et d'Appui à la Prévision des Inondations) pour analyser l'amélioration du système d'avertissement sur la possibilité de crues rapides AIGA en intégrant des prévisions de pluie future à courte échéance et fine résolution spatio-temporelle et en prenant en compte leurs incertitudes. Le SCHAPI développe actuellement un service d'avertissement automatisé valable sur l'ensemble de la France, qui sera complété par un ...

tavgM_2d_int_Nx: MERRA 2D IAU Diagnostic, Vertical Integrals and Budget Terms, Monthly Mean 0.667 x 0.5 degree V5.2.0 (MATMNXINT) at GES DISC

Data.gov (United States)

National Aeronautics and Space Administration — The MATMNXINT or tavgM_2d_int_Nx data product is the MERRA Data Assimilation System 2-Dimensional vertical integral that is time averaged single-level at the native...

Aulas de ciências para surdos: estudos sobre a produção do discurso de intérpretes de LIBRAS e professores de ciências

Directory of Open Access Journals (Sweden)

Walquíria Dutra de Oliveira

2015-06-01

Full Text Available O bilinguismo na educação de surdos pressupõe a língua de sinais como primeira língua do surdo e, com a inclusão escolar, os alunos surdos foram inseridos em instituições regulares de ensino, implicando uma nova estrutura da sala de aula. O ensino de ciências para surdos é um desafio, pois o aluno surdo utiliza uma língua diferente da do professor, e necessita de um intérprete de LIBRAS para ter acesso ao corpo de conhecimentos mediados por ele. A investigação objetivou analisar a produção de narrativas (um gênero do discurso de professores e intérpretes de LIBRAS sobre a aula de ciências para surdos. As narrativas foram produzidas no “diário de aula”, e foram analisadas pela técnica de análise de conteúdo. Nossos resultados apontam que o bilinguismo ainda não permeia a sala de aula inclusiva, e que a barreira linguística é a maior dificuldade encontrada no aprendizado dos conhecimentos científicos pelos alunos surdos.

Instituições e cooperação social em Douglass North e nos intérpretes weberianos do atraso brasileiro

Directory of Open Access Journals (Sweden)

Hélio Afonso de Aguilar Filho

2011-09-01

Full Text Available O artigo tem por objetivo resgatar a aproximação teórica entre o arcabouço institucionalista de Douglass North e os argumentos utilizados por intérpretes do Brasil de reconhecida orientação weberiana, como Sérgio Buarque de Holanda, Vianna Moog e Raymundo Faoro. Para tanto, privilegia o entendimento da relação entre instituições e cooperação social presentes na obra desses autores como variável relevante para explicar o desempenho de longo prazo da economia brasileira, bem como de seu relativo atraso.

Etude Théorique et Numérique d’une Méthode de Point Intérieur pour la Résolution du Problème d’Inégalités Variationnelles

Directory of Open Access Journals (Sweden)

H GRAR

2007-12-01

Full Text Available Dans ce travail, nous présentons une nouvelle alternative de type point intérieur pour résoudre le problème d’inégalités variationnelles noté (VIP. Ce dernier connu par son importance grandissante aussi bien sur le plan théorique que pratique, est malheureusement traité par des méthodes non pratiques (hypothèses trop restrictives, calcul pénalisant des projections. L’idée de progresser à l’intérieur du domaine des contraintes est à fait attrayante, car une fois mise au point elle élimine tous les handicapes algorithmiques ou presque. Cette idée est aussi motivée par le succès remarquable des techniques de point intérieur au niveau de la programmation mathématique en général. Nous avons pu mettre en oeuvre plusieurs versions de l’algorithme issues d’une étude théorique approfondie dûe à Censor et al. [1998] et comprenant nos propres aménagements. Au cours de l’implémentation numérique, on a fait intervenir des problèmes mathématiques très importants. Les résultats obtenus sont très encourageants. Ils sont présentés dans un cadre comparatif signifiant.

S’exercer à l’empathie : une expérience pédagogique en design d’intérieur

Directory of Open Access Journals (Sweden)

Rabah Bousbaci

2010-11-01

Full Text Available All professions have obligations to the public they serve, i.e.: the patient for physicians, psychoa- nalysts, or nurses; the client for lawyers; the consumer for managers; etc. The user or occupant of the built environment is the intended public of interior design services. How do interior design students learn to imagine the occupants of the built environments they design? The concept of empathy, commonly defined as the capacity of identification with and understanding of another’s situation, feelings, and motives, is particularly suitable to explore this attitude. This paper has two parts. The first one presents an interior design academic exercise where students learn to imagine the occupants of their design project by using a methodological tool called an “ethical compass”. The compass is composed of three poles, which remind the three fundamental rela- tions in the human condition as they were considered in the Stoic tradition: man’s relation to oneself, to others, and to nature. In the second part, the paper outlines several theoretical elements, which help to understand, to strengthen, and eventually to make progress about some of the conceptual bases that underline this approach. Mainly, it outlines important ethical theories and specific approaches to the concept of empathy.RÉSUMÉLes professionnels ont par définition un public bénéficiaire de leurs services : le patient pour le médecin, le psychologue ou l’infirmière ; le client pour l’avocat ; le consommateur pour le ges- tionnaire d’une entreprise commerciale ; etc. L’usager ou l’habitant du cadre bâti constitue un des destinataires des services professionnels du designer d’intérieur. De quelle manière peut-on apprendre aux étudiants/futurs professionnels du design d’intérieur à se mettre à la place de l’usager/habitant des espaces qu’ils conçoivent ? Le concept de l’empathie, communément décrit comme la capacité de se mettre à la place

ACKNOWLEDGEMENTS

African Journals Online (AJOL)

fishes whose members appear to fill very similar ecological roles in ... ways and also provided us with a great deal of interesting information. .... lakes. Verh. into Verein. Iheor. angew. Limnol. 17: 303 - 322. FRYER, G. 1972. ... Evolulion 23:.

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.

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.

Mixed waste treatment using the ChemChar thermolytic detoxification technique

Energy Technology Data Exchange (ETDEWEB)

Kuchynka, D.

1995-12-31

The diversity of mixed waste matrices contained at Department of Energy sites that require treatment preclude a single, universal treatment technology capable of handling sludges, solids, heterogeneous debris, aqueous and organic liquids and soils. Versatility of the treatment technology, volume reduction and containment of the radioactive component of the mixed waste streams are three criteria to be considered when evaluating potential treatment technologies. The ChemChar thermolytic detoxification process being developed under this R and D contract is a thermal, chemically reductive technology that converts the organic portion of a mixed waste stream to an energy-rich synthesis gas while simultaneously absorbing volatile inorganic species (metals and acid gases) on a macroporous, carbon-based char. The latter is mixed with the waste stream prior to entering the reactor. Substoichiometric amounts of oxidant are fed into the top portion of the cylindrical reactor generating a thin, radial thermochemical reaction zone. This zone generates all the necessary heat to promote the highly endothermic reduction of the organic components in the waste in the lower portion of the reactor, producing, principally, hydrogen and carbon monoxide. The solid by-product is a regenerated carbon char that, depending on the inorganic loading, is capable for reuse. The in situ scrubbing of contaminants by the char within the reactor coupled with a char filter for final polishing produce an exceptionally clean synthesis gas effluent suitable for on-site generation of heat, steam or electricity. Despite the elevated temperatures in the thermochemical reaction zone, the reductive nature of the process precludes formation of nitrogen oxides and halogenated organic compound by-products.

Mixed waste treatment using the ChemChar thermolytic detoxification technique

International Nuclear Information System (INIS)

Kuchynka, D.

1995-01-01

The diversity of mixed waste matrices contained at Department of Energy sites that require treatment preclude a single, universal treatment technology capable of handling sludges, solids, heterogeneous debris, aqueous and organic liquids and soils. Versatility of the treatment technology, volume reduction and containment of the radioactive component of the mixed waste streams are three criteria to be considered when evaluating potential treatment technologies. The ChemChar thermolytic detoxification process being developed under this R and D contract is a thermal, chemically reductive technology that converts the organic portion of a mixed waste stream to an energy-rich synthesis gas while simultaneously absorbing volatile inorganic species (metals and acid gases) on a macroporous, carbon-based char. The latter is mixed with the waste stream prior to entering the reactor. Substoichiometric amounts of oxidant are fed into the top portion of the cylindrical reactor generating a thin, radial thermochemical reaction zone. This zone generates all the necessary heat to promote the highly endothermic reduction of the organic components in the waste in the lower portion of the reactor, producing, principally, hydrogen and carbon monoxide. The solid by-product is a regenerated carbon char that, depending on the inorganic loading, is capable for reuse. The in situ scrubbing of contaminants by the char within the reactor coupled with a char filter for final polishing produce an exceptionally clean synthesis gas effluent suitable for on-site generation of heat, steam or electricity. Despite the elevated temperatures in the thermochemical reaction zone, the reductive nature of the process precludes formation of nitrogen oxides and halogenated organic compound by-products

Stage de médecine générale en Mauritanie : intérêts dans la formation médicale initiale

OpenAIRE

Gaucher , Marie-Laure

2012-01-01

Non disponible / Not available; Les voyages, l'immigration multiplient les situations cliniques et modifient l'épidémiologie des pathologies rencontrées en soins primaires. La formation universitaire doit sensibiliser les futurs praticiens à cette dimension internationale de la santé tout en leur permettant d'acquérir un certain nombre de compétences.Les données de la littérature ont montré que de nombreuses universités ont intégré dans leurs programmes de formation des stages pratiques à l'é...

Mahlburg's Work on Crank Functions

Indian Academy of Sciences (India)

IAS Admin

640–651, 2006. [8]. G N Watson, Ramanujan's Vermutung uber zerfallungsanzahlen, J. Reine Angew Math., Vol.179, pp.97–128, 1938. [9]. J Lehner, Ramanujan identities involving the partition function for the moduli 11α, Amer. J. Math.

The EnVision++ system: a new immunohistochemical method for diagnostics and research. Critical comparison with the APAAP, ChemMate, CSA, LABC, and SABC techniques.

Science.gov (United States)

Sabattini, E; Bisgaard, K; Ascani, S; Poggi, S; Piccioli, M; Ceccarelli, C; Pieri, F; Fraternali-Orcioni, G; Pileri, S A

1998-07-01

To assess a newly developed immunohistochemical detection system, the EnVision++. A large series of differently processed normal and pathological samples and 53 relevant monoclonal antibodies were chosen. A chessboard titration assay was used to compare the results provided by the EnVision++ system with those of the APAAP, CSA, LSAB, SABC, and ChemMate methods, when applied either manually or in a TechMate 500 immunostainer. With the vast majority of the antibodies, EnVision++ allowed two- to fivefold higher dilutions than the APAAP, LSAB, SABC, and ChemMate techniques, the staining intensity and percentage of expected positive cells being the same. With some critical antibodies (such as the anti-CD5), it turned out to be superior in that it achieved consistently reproducible results with differently fixed or overfixed samples. Only the CSA method, which includes tyramide based enhancement, allowed the same dilutions as the EnVision++ system, and in one instance (with the anti-cyclin D1 antibody) represented the gold standard. The EnVision++ is an easy to use system, which avoids the possibility of disturbing endogenous biotin and lowers the cost per test by increasing the dilutions of the primary antibodies. Being a two step procedure, it reduces both the assay time and the workload.

Desdobramentos foucaultianos sobre a relação de ensino do intérprete de língua de sinais educacional

Directory of Open Access Journals (Sweden)

Vanessa Regina de Oliveira Martins

2017-01-01

Full Text Available o presente trabalho, tem como objetivo discutir e analisar trajetórias, atuações e relações de ensino em que temos presente a figura do intérprete de língua de sinais educacional incluído na dinâmica escolar: sua emergência na escola, os discursos sobre sua função e as práticas decorrentes de sua atuação tradutória cotidiana - as implicações que há no ensino de surdos, os modos como se entende tal função. A tese tem como objetivo teorízar e afirmar pelo menos três modos de mestria presentes em variadas salas de aula, especificamente nas que contam com a presença de pessoas surdas e de intérpretes de língua de sinais educacional. Os modos são os seguintes: o mestre explicador, o revelador e o emissor de signos. Em cada análise, faço um aprofundamento das possíveis relações interpessoais entre os sujeitos em dada cena, sendo, portanto, relações de docência a partir dessas proposições. O olhar se dá nos espaços propostos e configurados a partir de uma relação docente, e com isso, as análises realizadas passam pelo olhar conceitual de Michel Foucault, tendo como marca as relações de subjetividades no ocidente. Para tal empreitada, buscaram-se, nos estudos foucaultianos os tipos de mestria possíveis, apresentados pelo autor na obra A hermenêutica do sujeito. Isso se fez para afirmar a necessidade de um retorno a uma relação antiga de ensino: um mestre que se ocupa com o processo e não com o yroduto; uma mestria que se faz não pela condução ao modelo, mas na presença do "estar com o outro". Assim, conceitos de Gilles Deleuze e Michel Foucault são trazidos e combinados entre si para complementar o que se afirma como mestria ativa, ou seja, uma posição-mestre, que possibilita efeito de relações parresiásticas de ensino. A posição-mestre será baliza da pela relação conceitual existente entre ela e a função-educador - conceito desenvolvido na tese de doutoramento de Carvalho (2008. Nesse

The Odda System: Integration of Conventional Programming and Artificial Intelligence Le système ODDA : intégration de programmation classique et d'intelligence artificielle

Directory of Open Access Journals (Sweden)

Cayeux E.

2006-11-01

Full Text Available The ODDA system (Offshore Directional Drilling Advisor is an example of how numerical packages, a relational database, graphical interfaces and knowledge bases can be integrated into an industrial application. Le système ODDA (Offshore Directional Drilling Advisor est un exemple illustrant la façon dont des progiciels numériques, une base de données relationnelle, des interfaces graphiques et des bases de connaissances peuvent être intégrés dans une application industrielle.

New transition metal complexes and their ring-opened polymers

Science.gov (United States)

Apodaca, Paula

An exciting new class of metallacycle (eta5-C5 H4Fe) (CO)2CH2SiR2 that undergoes ring-opening polymerization was recently reported by Sharma et al. [1]. We are interested in further expanding this research area by synthesizing related cyclopentadienyl derivatives containing Fe, Mo, and W in combination with other elements of the group 14. We report here the synthesis and crystal structure characterization of new germa-metallacyclobutanes of Mo and W. In addition, we have successfully synthesized and characterized new ring-opening polymers of the related germanium systems [(eta5-C5 H4Fe)(CO) 2(CH2GeR2)] n. The new polymers were characterized using various spectroscopic techniques and gel permeation chromatography. The recent report on the synthesis of a new class of siloxane polymers based upon base-catalyzed ring opening of phenylene-bridged cyclic siloxanes [2] encouraged us to investigate the related ferrocenyl (Fc, (C5H 5)Fe(C5H4)) siloxane systems. The incorporation of ferrocene could provide new materials with all the interesting properties usually associated with these groups such as thermal and photochemical stability, electrochemical activity and potentially conducting materials. Thus far a new required organometallic monomer containing Fc-R, where R = disilaoxacyclopentene 5 has been synthesized and completely characterized. Based-induced ring-opening polymerizations of 5 were attempted under different reaction conditions and produced, inter alia: (C5H5)Fe(C 5H4)C(SiMe2OH)=CH(SiMe2R), R = nBu (2), tBu (3), Ph (4). The single crystal X-ray structures and full spectroscopic analysis of such products has been accomplished. Furthermore, the reactivity of the ferrocenyl silanols concerning condensation and their behavior under acidic conditions has been investigated. 1Sharma, H.; Cervantes-Lee, F.; Pannell, K. H. J. Am. Chem. Soc. 2004, 126, 1326. 2 Loy, A. D.; Rahimian, K.; Samara, M. Angew. Chem. 1999, 38, 45.

Habilidades sociais de alunos surdos na perspectiva de professores da classe bilíngue, da classe comum e intérprete

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Ana Claudia Paviani Casalli

2017-04-01

Full Text Available Este trabalho objetivou descrever o repertório de habilidades sociais, problemas de comportamento e a competência acadêmica de 15 crianças/adolescentes com surdez, na visão de professores de classe bilíngue, intérprete e de professores de classes comuns. Participaram deste estudo quatro professores e um intérprete, sendo dois de classe comum e dois de classe bilíngue. Utilizou-se como instrumento de coleta de dados, o Sistema de Avaliação de Habilidades Sociais (SSRS-BR. A avaliação dos professores para as três escalas do instrumento – Habilidades Sociais, Problemas de Comportamento e Competência Acadêmica – foi positiva, pois a maioria dos alunos foi classificada com repertórios medianos e altos. Os resultados ainda mostraram-se contrários à hipótese inicial, pois esperava-se que as professoras da classe bilíngue, por atuarem diretamente com os alunos surdos, utilizando a Libras como língua de instrução, pudessem avaliá-los de forma mais positiva, com relação às Habilidades Sociais, Problemas de Comportamento e Competência Acadêmica, quando comparados às avaliações dos professores da classe comum, o que não ocorreu. Conclui-se que de modo geral os alunos surdos foram avaliados com um repertório mediano de habilidades sociais e competência acadêmica, sendo os professores da classe comum os que fizeram avaliações mais positivas. Sugere-se que pesquisas com a utilização de outras medidas de avaliação sejam realizadas para aprofundar e confirmar os dados obtidos.

Atuação do intérprete educacional: reflexão e discussão sobre as duas modalidades de interpretação-simultânea e consecutiva

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Neiva de Aquino Albres

2017-02-01

Full Text Available Procuramos caracterizar os aspectos tipicamente relacionados à interpretação educacional em sala de aula inclusiva que atendam alunos surdos problematizando o uso de interpretação de e para Libras nas modalidades simultânea e consecutiva como técnicas a serem adotadas pelo intérprete educacional. Para além da modalidade interpretação como técnica, há questões fundamentais de construção de sentido que perpassam as atividades em sala de aula. Estabelecendo reflexões sobre a interpretação em espaço educacional como em aula expositiva, em atividades interativas e nos processos de avaliação, entendemos que para a decisão sobre qual modalidade de interpretação é mais adequada a cada momento é preciso equacionar os fatores de competência linguística do intérprete, suas habilidades pessoais, preferências de modalidade, contexto, conhecimento do enunciador e do discurso e tempo.

L’intégration du capital humain dans un outil de pilotage de la performance : le cas du tableau de bord stratégique

OpenAIRE

Borchani, Manel; Cheffi, Walid

2005-01-01

Cette communication examine comment un outil de contrôle de gestion, le tableau de bord stratégique (TdB), permet-il d’intégrer le capital humain dans le pilotage de la performance globale de l’entreprise ? La théorie des ressources (resource based view theory) considère que les Ressources Humaines (RH) sont des ressources internes précieuses pour l’entreprise. Cette théorie établit un lien entre elles, les compétences distinctives et l’avantage concurrentiel durable de l’entreprise. Un tel a...

Modelling of Impulsional pH Variations Using ChemFET-Based Microdevices: Application to Hydrogen Peroxide Detection

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Abdou Karim Diallo

2014-02-01

Full Text Available This work presents the modelling of impulsional pH variations in microvolume related to water-based electrolysis and hydrogen peroxide electrochemical oxidation using an Electrochemical Field Effect Transistor (ElecFET microdevice. This ElecFET device consists of a pH-Chemical FET (pH-ChemFET with an integrated microelectrode around the dielectric gate area in order to trigger electrochemical reactions. Combining oxidation/reduction reactions on the microelectrode, water self-ionization and diffusion properties of associated chemical species, the model shows that the sensor response depends on the main influential parameters such as: (i polarization parameters on the microelectrode, i.e., voltage (Vp and time (tp; (ii distance between the gate sensitive area and the microelectrode (d; and (iii hydrogen peroxide concentration ([H2O2]. The model developed can predict the ElecFET response behaviour and creates new opportunities for H2O2-based enzymatic detection of biomolecules.

Algorithms for singularities and real structures of weak Del Pezzo surfaces

KAUST Repository

Lubbes, Niels

2014-01-01

. Wall, Real forms of smooth del Pezzo surfaces, J. Reine Angew. Math. 1987(375/376) (1987) 47-66, ISSN 0075-4102] of weak Del Pezzo surfaces from an algorithmic point of view. It is well-known that the singularities of weak Del Pezzo surfaces correspond

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

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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

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...

tavg1_2d_int_Nx: MERRA 2D IAU Diagnostic, Vertical Integrals and Budget Terms, Time Average 1-hourly 0.667 x 0.5 degree V5.2.0 (MAT1NXINT) at GES DISC

Data.gov (United States)

National Aeronautics and Space Administration — The MAT1NXINT or tavg1_2d_int_Nx data product is the MERRA Data Assimilation System 2-Dimensional vertical integral that is time averaged single-level at the native...

Orientations pour l'intégration des TICE dans l'enseignement du français en Syrie. L'exemple du centre de documentation pédagogique de Damas.

Directory of Open Access Journals (Sweden)

Christelle Demange-Ducrot

2005-09-01

Full Text Available Le secteur éducatif syrien souhaite orienter son action vers les nouvelles technologies de l'information et la sensibilisation du public scolaire aux applications de l'informatique dans le domaine éducatif et en particulier dans le cadre de l'enseignement des langues. Dans l'enseignement-apprentissage des langues, les apports des TICE sont nombreux, mais là où elles apportent sans doute la plus grande plus-value, c'est lors de la mise en place de projets de classe motivants et valorisants, intégrés à des projets de communication authentique. Partant de ce constat, le Centre de Documentation Pédagogique de Damas forme les enseignants de français syriens à l'intégration des TICE dans des projets pédagogiques de classe mettant en œuvre des activités créatives et stimulantes pour communiquer en français. Jusqu'alors, les formations ont centré leurs efforts sur les bases de l'environnement informatique et de la bureautique, avec pour parti pris l'utilisation de logiciels libres. L'année 2005 marquera le lancement et l'expérimentation du dispositif de formation continue à distance destiné aux professeurs de français dans le domaine des TICE.

Explanation of the observed trend in the mean excitation energy of a target as determined using several projectiles

International Nuclear Information System (INIS)

Cabrera-Trujillo, R.; Sabin, J.R.; Oddershede, J.

2003-01-01

Recently, Porter observed [L.E. Porter, Int. J. Quantum Chem. 90, 684 (2002)] that the mean excitation energy and stopping cross section of a target, obtained from fitting experimental data at given projectile charge to a modified Bethe-Block theory, gives projectile dependent results. The main result of his work is that there is a trend for the inferred target mean excitation energy, to decrease as the projectile atomic number increases. However, this result is inconsistent with the usual definition of the mean excitation energy as a function of target excitation properties only. Here we present an explanation of Porter's results based on the Bethe theory extended to take projectile electronic structure explicitly into account

O papel criador do intérprete na efetividade do princípio da dignidade humana

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Bernardo

2014-07-01

Full Text Available Dignidade da pessoa humana, como conceituá-la? Cecília Meirelles definiu, de maneira poética, o vocábulo liberdade: “Essa palavra que o sonho humano alimenta. Que não há ninguém que explique e ninguém que não entenda”. Destarte, pode-se, por analogia, transportar os belos versos para o Direito, e, dessa forma, referir-se à dignidade humana. Realmente, não é tarefa simples definir dignidade, pois seus contornos são, propositadamente, imprecisos e vagos. Nesse sentido, este artigo expõe um estudo da dignidade humana como princípio e em seus aspectos filosóficos e jurídicos, levando ainda em conta a participação do Legislativo, do Judiciário e da própria sociedade para a sua concretização e efetivação, a fim de se chegar a uma análise ao menos razoável desse valor, e, assim, compreender a função do intérprete diante da perspectiva de sua atividade criativa e criadora.

Tradução Oral à Prima Vista na formação do intérprete: considerações pedagógicas

OpenAIRE

Gloria Regina Loreto Sampaio

2017-01-01

A Tradução Oral à Prima Vista (TrPV) é um elemento de relevância para a formação do intérprete e um componente essencial para o desempenho do futuro profissional em muitos ambientes de atuação. Consequentemente, a prática da TrPV se faz presente em cursos de formação bem estruturados. Neste escrito, após uma breve referência à natureza, complexidade e desafios impostos pela TrPV, e tendo como base uma vivência docente extensa da autora, será apresentada uma possível abordagem pedagógica, volt...

QSAR screening of 70,983 REACH substances for genotoxic carcinogenicity, mutagenicity and developmental toxicity in the ChemScreen project

DEFF Research Database (Denmark)

Wedebye, Eva Bay; Dybdahl, Marianne; Nikolov, Nikolai Georgiev

2015-01-01

The ChemScreen project aimed to develop a screening system for reproductive toxicity based on alternative methods. QSARs can, if adequate, contribute to the evaluation of chemical substances under REACH and may in some cases be applied instead of experimental testing to fill data gaps...... for information requirements. As no testing for reproductive effects should be performed in REACH on known genotoxic carcinogens or germ cell mutagens with appropriate risk management measures implemented, a QSAR pre-screen for 70,983 REACH substances was performed. Sixteen models and three decision algorithms...... were used to reach overall predictions of substances with potential effects with the following result: 6.5% genotoxic carcinogens, 16.3% mutagens, 11.5% developmental toxicants. These results are similar to findings in earlier QSAR and experimental studies of chemical inventories, and illustrate how...

Handheld highly selective plasmonic chem/biosensor using engineered binding proteins for extreme conformational changes

Science.gov (United States)

Kosciolek, Derek J.; Sonar, Ajay; Lepak, Lori A.; Schnatz, Peter; Bendoym, Igor; Brown, Mia C.; Koder, Ronald L.; Crouse, David T.

2017-08-01

In this project we develop a handheld, portable, highly selective and sensitive chem/biosensor that has potential applications in both airborne and water-based environmental sensing. The device relies on a plasmonic chip of subwavelength-scale periodic gold rods engineered to resonate in the near infrared. The chip is functionalized with a novel class of proteins that exhibit large conformational changes upon binding to a specific target analyte. The subsequent change in local refractive index near the surface of the gold is one to two orders of magnitude greater than current conventional methods, which produces a readily measurable 5 to 10 percent difference in light transmission. This allows us to forgo traditional, bulky tabletop setups in favor of a compact form factor. Using commercially available optics to construct a transmission-based optical train, measured changes in bulk refractive index are presented here. While synthesis of binding protein efforts are focused on heme as analyte for proof of concept validation, the functionalized protein can be engineered to pair with a wide variety of analytes with minimal alterations to the plasmonic chip or device design. Such flexibility allows for this device to potentially meet the needs of first responders and health care professionals in a multitude of scenarios.

On some mainly Western European Aphids

NARCIS (Netherlands)

Hille Ris Lambers, D.

1947-01-01

1. Ramitrichophorus nov. subgen. Macrosiphoniella janckei Börner, 1939 (Arb. phys. angew. Entom., vol. VI, p. 83), found on Helichrysum arenarium, differs from all species of Macrosiphoniella which I have seen in the structure of its hairs, rostrum and cauda. The dorsal hairs and partly those on the

GeoInt: the first macroseismic intensity database for the Republic of Georgia

Science.gov (United States)

Varazanashvili, O.; Tsereteli, N.; Bonali, F. L.; Arabidze, V.; Russo, E.; Pasquaré Mariotto, F.; Gogoladze, Z.; Tibaldi, A.; Kvavadze, N.; Oppizzi, P.

2018-05-01

Our work is intended to present the new macroseismic intensity database for the Republic of Georgia—hereby named GeoInt—which includes earthquakes from the historical (from 1250 B.C. onwards) to the instrumental era. Such database is composed of 111 selected earthquakes and related 3944 intensity data points (IDPs) for 1509 different localities, reported in the Medvedev-Sponheuer-Karnik scale (MSK). Regarding the earthquakes, the M S is in the 3.3-7 range and the depth is in the 2-36 km range. The entire set of IDPs is characterized by intensities ranging from 2-3 to 9-10 and covers an area spanning from 39.508° N to 45.043° N in a N-S direction and from 37.324° E to 48.500° E in an E-W direction, with some of the IDPs located outside the Georgian border, in the (i) Republic of Armenia, (ii) Russian Federation, (iii) Republic of Turkey, and (iv) Republic of Azerbaijan. We have revised each single IDP and have reevaluated and homogenized intensity values to the MSK scale. In particular, regarding the whole set of 3944 IDPs, 348 belong to the Historical era (pre-1900) and 3596 belong to the instrumental era (post-1900). With particular regard to the 3596 IDPs, 105 are brand new (3%), whereas the intensity values for 804 IDPs have been reevaluated (22%); for 2687 IDPs (75%), intensities have been confirmed from previous interpretations. We introduce this database as a key input for further improvements in seismic hazard modeling and seismic risk calculation for this region, based on macroseismic intensity; we report all the 111 earthquakes with available macroseismic information. The GeoInt database is also accessible online at http://www.enguriproject.unimib.it and will be kept updated in the future.

Sur la reconnaissance de la compétence exclusive des groupements religieux afin d‘instaurer leur structure intrinsèque et les normes intérieures des relations en tant qu’une des garanties ...

Directory of Open Access Journals (Sweden)

Philip Ryabykh

2012-11-01

SOMMAIRE: 1. Brève histoire de l’affaire – 2. Préambule – 3. Protection de la compétence exclusive des groupements religieux en vue d’instaurer leur structure intrinsèque et les normes intérieures des relations au point de vue de la législation de la Roumanie – 4. Application du principe de l’autonomie des groupements religieux et du principe de l’inadmissibilité d’intervenir pour l’État aux affaires intérieures des groupements religieux – 5. Non-contradiction de la Convention des exigences intérieures des groupements religieux sur la loyauté et la conformité des personnes se trouvant dans les relations de service avec le groupement religieux – 6. Absence des raisons fournies par les faits juridiques suffisantes et justifiant réellement l’assimilation (la mise au même niveau des groupements religieux avec n’importe quelles autres organisations-employeurs dans la sphère de la réglementation des relations de travail – 7. Légalité de l’instauration des restrictions à la création et les activités des syndicats dans les certaines sphères des relations publiques – 8. Compétence de la Roumanie de fixer dans la législation les restrictions à la liberté des syndicats conformément à la sphère des relations religieuses – 9. Signification des résultats du jugement de l’affaire «Syndicat “Le Bon Pasteur” c. Roumanie» (requête 2330/09 pour L’Église Orthodoxe Russe- 10. Conclusion.

Assessing the Impact of Oil and Natural Gas Activities on Regional Air Quality in the Colorado Northern Front Range using WRF-Chem

Science.gov (United States)

Abdioskouei, M.; Carmichael, G. R.

2017-12-01

Recent increases in the Natural Gas (NG) production through hydraulic fracturing have questioned the climate benefit of switching from coal-fired to natural gas-fired power plants. Higher than expected levels of methane, VOCs, and NOx have been observed in areas close to oil and NG (OnG) operation facilities. High uncertainty in the OnG emission inventories and methane budget challenge the assessment of OnG impact on air quality and climate and consequently development of effective mitigation policies and control regulations. In this work, we focus on reducing the uncertainties around the OnG emissions by using high resolution (4x4 km2) WRF-Chem simulations coupled with detailed observation from the Front Range Air Pollution and Photochemistry Éxperiment (FRAPPÉ 2014) field campaign. First, we identified the optimal WRF-Chem configurations in the NFR area. We compared the performance of local and non-local Planetary Boundary Layer (PBL) schemes in predicting the PBL height and vertical mixing in the domain. We evaluated the impact of different meteorological and chemical initial and boundary conditions on the model performance. Next, simulations based on optimal configurations were used to assess the performance of the emission inventory (NEI-2011v2). To evaluate the impact of OnG emission on regional air quality and performance of NEI-2011 we tested the sensitivity of the model to the OnG emission. Comparison between simulated values and ground-based and airborne measurements shows a low bias of OnG emission in NEI-2011. Finally, inverse modeling techniques based on emission sensitivity simulations are being used to optimal scaling the OnG emission from the NEI-2011.

"Cy Twombly: Intérprete de dos mundos" [Un artista entre Estados Unidos y Europa, entre lo clásico y lo contemporáneo

OpenAIRE

Gras Cruz, Irene

2017-01-01

Esta tesis “Cy Twombly: Intérprete de dos mundos” [Un artista entre Estados Unidos y Europa, entre lo clásico y lo contemporáneo] pretende dar a conocer al artista norteamericano Cy Twombly (1928-2011) en nuestro país y destacar la importancia que tiene dentro del panorama artístico como figura clave en un momento de efervescencia —artística y creativa— americana en el que a diferencia de sus coetáneos prefirió emigrar a Europa, concretamente a Italia. Mientras todos se trasladaban a la nueva...

Ultrafine particles from power plants: Evaluation of WRF-Chem simulations with airborne measurements

Science.gov (United States)

Forkel, Renate; Junkermann, Wolfgang

2017-04-01

Ultrafine particles (UFP, particles with a diameter risk to human health and have a potential effect on climate as their presence affects the number concentration of cloud condensation nuclei. Despite of the possibly hazardous effects no regulations exist for this size class of ambient air pollution particles. While ground based continuous measurements of UFP are performed in Germany at several sites (e.g. the German Ultrafine Aerosol Network GUAN, Birmili et al. 2016, doi:10.5194/essd-8-355-2016) information about the vertical distribution of UFP within the atmospheric boundary layer is only scarce. This gap has been closed during the last years by regional-scale airborne surveys for UFP concentrations and size distributions over Germany (Junkermann et al., 2016, doi: 10.3402/tellusb.v68.29250) and Australia (Junkermann and Hacker, 2015, doi: 10.3402/tellusb.v67.25308). Power stations and refineries have been identified as a major source of UFP in Germany with observed particle concentrations > 50000 particles cm-3 downwind of these elevated point sources. Nested WRF-Chem simulations with 2 km grid width for the innermost domain are performed with UFP emission source strengths derived from the measurements in order to study the advection and vertical exchange of UFP from power plants near the Czech and Polish border and their impact on planetary boundary layer particle patterns. The simulations are evaluated against the airborne observations and the downward mixing of the UFP from the elevated sources is studied.

L'intégration de l'olympisme à l'école : contribution du Programme d'Education aux Valeurs Olympiques – PEVO à la construction d'un monde moderne

Directory of Open Access Journals (Sweden)

Bipona Emmanuel Bienvenu

2016-01-01

Il est question d'intégrer la formation et l'éducation des jeunes à travers la pratique sportive dans la construction des générations olympiques. Dans le cadre de la transmission inter générationnelle des valeurs positives Toutes les stratégies organisationnelles et de diffusion doivent être conçues pour captiver l'attention des jeunes à travers des symboles visibles et des supports édifiants pour leur vie quotidienne.

Anthraquinone-based demultiplexer and other multiple operations at ...

Indian Academy of Sciences (India)

aDepartment of Chemistry, Panjab University, Chandigarh 160 014, India ... Keywords. Anthraquinone; chemosensors; molecular logic gates; demultiplexer. 1. Introduction ..... and McCoy C P 1993 Nature 364 42; (c) Credi A 2007. Angew. ... Condens. Matter 18. S1847; (e) de Silva A P, de Silva S S K, Goonesekera. N C W ...

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

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

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.

La science comme pratique d’intégration dans la société des princes. Les Grimaldi de Monaco et la curiosité savante (xviie–

OpenAIRE

Fouilleron, Thomas

2015-01-01

Jusque-là seigneur de Monaco, Honoré II (1597-1662) prend, en 1612, le titre de prince. En 1641, il se place sous la protection du roi de France qui confirme, par le traité de Péronne, sa souveraineté. Parallèlement à son effort d’affirmation politique, il s’attache à intégrer la société européenne des princes en adoptant les pratiques culturelles de la distinction monarchique.Souverains à Monaco et grands aristocrates en France, les Grimaldi constituent, au xviie siècle, des cabinets de curi...

Born-Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogen

International Nuclear Information System (INIS)

Strasburger, Krzysztof

2005-01-01

Inelastic collisions with hydrogen molecules are claimed to be an important channel of antihydrogen Hbar losses (Armour and Zeman 1999 Int. J. Quantum Chem. 74 645). In the present work, interaction energies for the H 2 -Hbar system in the ground state have been calculated within the Born-Oppenheimer approximation. The leptonic problem was solved variationally with the basis of explicitly correlated Gaussian functions. The geometry of H 2 was fixed at equilibrium geometry and the Hbar atom approached the molecule from two directions-along or perpendicularly to the bond axis. Purely attractive potential energy curve has been obtained for the first nuclear configuration, while a local maximum (lower than the energy at infinite separation) has been found for the second one

Born Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogen

Science.gov (United States)

Strasburger, Krzysztof

2005-09-01

Inelastic collisions with hydrogen molecules are claimed to be an important channel of antihydrogen (\\overlineH) losses (Armour and Zeman 1999 Int. J. Quantum Chem. 74 645). In the present work, interaction energies for the H_{2}\\--\\overlineH system in the ground state have been calculated within the Born-Oppenheimer approximation. The leptonic problem was solved variationally with the basis of explicitly correlated Gaussian functions. The geometry of H2 was fixed at equilibrium geometry and the \\overlineH atom approached the molecule from two directions—along or perpendicularly to the bond axis. Purely attractive potential energy curve has been obtained for the first nuclear configuration, while a local maximum (lower than the energy at infinite separation) has been found for the second one.

Upgrading from the Dicon Wiring Management system to IntEC at the Gentilly 2 station

International Nuclear Information System (INIS)

Theoret, P.A.

1995-01-01

The General Electric DICON Wiring Management system supplied to HQ during the construction of G2 is currently being replaced by the stand-alone version of the IntEC software developed by AECL. The reasons for replacing DICON and choosing lntEC are discussed. The different aspects of the two year DICON data conversion project are presented with the problems encountered and the means that were taken to resolve the problems. lntEC has shown our DICON data to be considerably more deficient than we had thought. This has increased the cost and the duration of the conversion process. However, correcting the errors during the conversion process provides us with much more accurate data. This should be viewed as an investment in configuration management. Many potential causes of future errors and potentially critical path delays have been removed. We have chosen to document the detailed procedures for the use of lntEC in our plant using a Windows Help File compiler. This also has been found to be extremely useful as a training tool as well as providing on-line help. The DICON data conversion into lntEC will not be completed until 1996. lntEC is not perfect. However, from what we have up to now, we are satisfied with the conviviality and efficiency of lntEC and with AECL's diligence in constantly aspiring in making it a better product. (author)

In situ calibration using univariate analyses based on the onboard ChemCam targets: first prediction of Martian rock and soil compositions

International Nuclear Information System (INIS)

Fabre, C.; Cousin, A.; Wiens, R.C.; Ollila, A.; Gasnault, O.; Maurice, S.; Sautter, V.; Forni, O.; Lasue, J.; Tokar, R.; Vaniman, D.; Melikechi, N.

2014-01-01

Curiosity rover landed on August 6th, 2012 in Gale Crater, Mars and it possesses unique analytical capabilities to investigate the chemistry and mineralogy of the Martian soil. In particular, the LIBS technique is being used for the first time on another planet with the ChemCam instrument, and more than 75,000 spectra have been returned in the first year on Mars. Curiosity carries body-mounted calibration targets specially designed for the ChemCam instrument, some of which are homgeneous glasses and others that are fine-grained glass-ceramics. We present direct calibrations, using these onboard standards to infer elements and element ratios by ratioing relative peak areas. As the laser spot size is around 300 μm, the LIBS technique provides measurements of the silicate glass compositions representing homogeneous material and measurements of the ceramic targets that are comparable to fine-grained rock or soil. The laser energy and the auto-focus are controlled for all sequences used for calibration. The univariate calibration curves present relatively to very good correlation coefficients with low RSDs for major and ratio calibrations. Trace element calibration curves (Li, Sr, and Mn), down to several ppm, can be used as a rapid tool to draw attention to remarkable rocks and soils along the traverse. First comparisons to alpha-particle X-ray spectroscopy (APXS) data, on selected targets, show good agreement for most elements and for Mg# and Al/Si estimates. SiO 2 estimates using univariate cannot be yet used. Na 2 O and K 2 O estimates are relevant for high alkali contents, but probably under estimated due to the CCCT initial compositions. Very good results for CaO and Al 2 O 3 estimates and satisfactory results for FeO are obtained. - Highlights: • In situ LIBS univariate calibrations are done using the Curiosity onboard standards. • Major and minor element contents can be rapidly obtained. • Trace element contents can be used as a rapid tool along the

Archivage électronique : spécifications relatives à la conception et à l'exploitation de systèmes informatiques en vue d'assurer la conservation et l'intégrité des documents stockés dans ces systèmes

CERN Document Server

Association Française de Normalisation. Paris

2007-01-01

Archivage électronique : spécifications relatives à la conception et à l'exploitation de systèmes informatiques en vue d'assurer la conservation et l'intégrité des documents stockés dans ces systèmes

Assessing regional scale predictions of aerosols, marine stratocumulus, and their interactions during VOCALS-REx using WRF-Chem

Directory of Open Access Journals (Sweden)

Q. Yang

2011-12-01

Full Text Available This study assesses the ability of the recent chemistry version (v3.3 of the Weather Research and Forecasting (WRF-Chem model to simulate boundary layer structure, aerosols, stratocumulus clouds, and energy fluxes over the Southeast Pacific Ocean. Measurements from the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx and satellite retrievals (i.e., products from the MODerate resolution Imaging Spectroradiometer (MODIS, Clouds and Earth's Radiant Energy System (CERES, and GOES-10 are used for this assessment. The Morrison double-moment microphysics scheme is newly coupled with interactive aerosols in the model. The 31-day (15 October–16 November 2008 WRF-Chem simulation with aerosol-cloud interactions (AERO hereafter is also compared to a simulation (MET hereafter with fixed cloud droplet number concentrations in the microphysics scheme and simplified cloud and aerosol treatments in the radiation scheme. The well-simulated aerosol quantities (aerosol number, mass composition and optical properties, and the inclusion of full aerosol-cloud couplings lead to significant improvements in many features of the simulated stratocumulus clouds: cloud optical properties and microphysical properties such as cloud top effective radius, cloud water path, and cloud optical thickness. In addition to accounting for the aerosol direct and semi-direct effects, these improvements feed back to the simulation of boundary-layer characteristics and energy budgets. Particularly, inclusion of interactive aerosols in AERO strengthens the temperature and humidity gradients within the capping inversion layer and lowers the marine boundary layer (MBL depth by 130 m from that of the MET simulation. These differences are associated with weaker entrainment and stronger mean subsidence at the top of the MBL in AERO. Mean top-of-atmosphere outgoing shortwave fluxes, surface latent heat, and surface downwelling longwave fluxes are in better agreement with

L’utilisation de l’hydrolyse enzymatique pour la production de nanocellulose dans une stratégie de bioraffinage forestier intégré (Synthèse Bibliographique)

OpenAIRE

Bombeck, Pierre-Louis; Hebert, Jacques; Richel, Aurore

2016-01-01

Introduction. Dans un monde qui cherche à se défaire de sa dépendance à la pétrochimie, le concept de bioraffinage de la biomasse forestière est de plus en plus étudié. Dans une recherche de valorisation maximale des composants de cette biomasse, la transformation de fibres de cellulose en nanocellulose séduit de plus en plus l’industrie papetière par sa haute valeur ajoutée. Littérature. Le concept de bioraffinage forestier intégré vise l’adaptation des usines de pâte à papier en bioraffi...

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.

A dual agonist of farnesoid X receptor (FXR) and the G protein-coupled receptor TGR5, INT-767, reverses age-related kidney disease in mice.

Science.gov (United States)

Wang, Xiaoxin X; Luo, Yuhuan; Wang, Dong; Adorini, Luciano; Pruzanski, Mark; Dobrinskikh, Evgenia; Levi, Moshe

2017-07-21

Even in healthy individuals, renal function gradually declines during aging. However, an observed variation in the rate of this decline has raised the possibility of slowing or delaying age-related kidney disease. One of the most successful interventional measures that slows down and delays age-related kidney disease is caloric restriction. We undertook the present studies to search for potential factors that are regulated by caloric restriction and act as caloric restriction mimetics. Based on our prior studies with the bile acid-activated nuclear hormone receptor farnesoid X receptor (FXR) and G protein-coupled membrane receptor TGR5 that demonstrated beneficial effects of FXR and TGR5 activation in the kidney, we reasoned that FXR and TGR5 could be excellent candidates. We therefore determined the effects of aging and caloric restriction on the expression of FXR and TGR5 in the kidney. We found that FXR and TGR5 expression levels are decreased in the aging kidney and that caloric restriction prevents these age-related decreases. Interestingly, in long-lived Ames dwarf mice, renal FXR and TGR5 expression levels were also increased. A 2-month treatment of 22-month-old C57BL/6J mice with the FXR-TGR5 dual agonist INT-767 induced caloric restriction-like effects and reversed age-related increases in proteinuria, podocyte injury, fibronectin accumulation, TGF-β expression, and, most notably, age-related impairments in mitochondrial biogenesis and mitochondrial function. Furthermore, in podocytes cultured in serum obtained from old mice, INT-767 prevented the increases in the proinflammatory markers TNF-α, toll-like receptor 2 (TLR2), and TLR4. In summary, our results indicate that FXR and TGR5 may play an important role in modulation of age-related kidney disease. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

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

Fracture numérique, fracture sociale : aux frontières de l'intégration et de l'exclusion

Directory of Open Access Journals (Sweden)

Luc Vodoz

2010-12-01

Full Text Available La fracture numérique est une ligne de rupture symbolique, le tracé d'un clivage entre d'une part les individus ou groupes sociaux qui sont – ou se sentent – bien intégrés à la « société de l'information », d'autre part ceux qui sont – ou se sentent – exclus de cette société. Comme bien d'autres frontières, cette ligne est difficilement visible voire totalement imperceptible dans le terrain. Ce texte relate un cheminement sur la frontière, sur les logiques prévalant à l'articulation entre deux espaces, entre deux réalités comme entre deux points de vue. Il s’efforce de comprendre ce que vivent celles et ceux qui se situent sur la limite, qui tentent de la franchir ou au contraire d'éviter leur expulsion. L’investigation s’est déroulée dans les milieux de la formation professionnelle et continue en matière de TIC. Plus largement, il s'agissait d'examiner les éventuelles correspondances entre intégration à (ou exclusion de la « société de l'information » d'une part, et d'autre part l'intégration (ou l'exclusion sociale plus générale des personnes considérées.Digital gap, social gap: sitting on the boundaries of integration and exclusionThe digital gap is a symbolic demarcation of rupture, a line that traces the separation between individuals or social groups who are – or feel they are –integrated into the “information society”, and those who are – or feel – excluded from this society. As with many other boundaries, this particular line is difficult to perceive or even is totally imperceptible in the field. Analysing a journey on the boundary itself, this text concentrates on the logics emerging from the connection between the two spaces, two realities, two points of view. It attempts to understand what those who find themselves on this limit actually live, as do also those who attempt de jump the gap or on the contrary try to avoid their expulsion. The enquiry took place in a

Intégrer les Tice à une approche cognitive de la grammaire du discours How to integrate ICT into a cognitive approach of a discourse grammar?

Directory of Open Access Journals (Sweden)

Muriel Barbazan

2011-09-01

Full Text Available Si l'on a pour objectif de favoriser un apprentissage de la grammaire évaluable à l'aune des performances communicatives réelles des apprenants, il est utile d'identifier préalablement un cadre de travail qui respecte les processus cognitifs de production et de compréhension. Dans ce cadre, cet article envisage la question de la reformulation des contenus grammaticaux pour cibler l'apprentissage guidé de la langue telle qu'elle est mise en œuvre dans le "discours". Pour ce faire, on illustrera l'intérêt d'une démarche descriptive associant les deux pistes suivantes : a intégrer à la description grammaticale des prototypes de situations d'interactions verbales en relation avec les significations données aux outils grammaticaux. Parallèlement, b mettre en relation les fonctions des outils grammaticaux avec des types de plans textuels tout en insistant sur leur rôle de marqueurs de la macrostructure (repérage des unités textuelles. L'objet de cet article sera ensuite d'explorer les possibilités qu'offrent les Tice pour un apprentissage guidé ciblant l'acquisition de routines grammaticales adaptées à la production / réception du discours en situation. L'accent sera mis sur les activités de compréhension et de réorganisation unifiée des connaissances et savoir-faire grammaticaux, tout en soulignant l'intérêt des Tice pour favoriser en FLE la mise en œuvre effective et interactive de la L2. À partir d'exemples d'activités ou de possibilités d'exploitation de divers outils, cette seconde partie servira ainsi d'illustration aux axes descriptifs et aux orientations didactiques préalablement définis.In the light of results from psycholinguistics and cognitive psychology concerning learning models and verbal production processes, this article follows up two objectives. Before exploring the potential development of grammatical activities in a digital learning environment, the first part will explore how we can conceive

Spatio-temporal variability of CO and O3 in Hyderabad (17°N, 78°E, central India, based on MOZAIC and TES observations and WRF-Chem and MOZART-4 models

Directory of Open Access Journals (Sweden)

Varun Sheel

2016-05-01

Full Text Available This article is based on the study of the seasonal and interannual variability of carbon monoxide (CO and ozone (O3 at different altitudes of the troposphere over Hyderabad, India, during 2006–2010 using Measurement of OZone and water vapour by Airbus In-Service Aircraft (MOZAIC and observation from Tropospheric Emission Spectrometer (TES aboard NASA's Aura satellite. The MOZAIC observations show maximum seasonal variability in both CO and O3 during winter and pre-monsoon season, with CO in the range (100–200±13 ppbv and O3 in the range (50–70±9 ppbv. The time-series of MOZAIC data shows a significant increase of 4.2±1.3 % in the surface CO and 6.7±1.3 % in the surface O3 during 2006–2010 in Hyderabad. From MOZAIC observations, we identify CO and O3 profiles that are anomalous with respect to the monthly mean and compare those with Weather Research Forecast model coupled with Chemistry (WRF-Chem and Model for OZone and Related Tracers, version 4 profiles for the same day. The anomalous profiles of WRF-Chem are simulated using three convection schemes. The goodness of comparison depends on the convection scheme and the altitude region of the troposphere.

Trace element geochemistry (Li, Ba, Sr, and Rb) using Curiosity's ChemCam: early results for Gale crater from Bradbury Landing Site to Rocknest

Science.gov (United States)

Ollila, Ann M.; Newsom, Horton E.; Clark, Benton; Wiens, Roger C.; Cousin, Agnes; Blank, Jen G.; Mangold, Nicolas; Sautter, Violaine; Maurice, Sylvestre; Clegg, Samuel M.; Gasnault, Olivier; Forni, Olivier; Tokar, Robert; Lewin, Eric; Dyar, M. Darby; Lasue, Jeremie; Anderson, Ryan; McLennan, Scott M.; Bridges, John; Vaniman, Dave; Lanza, Nina; Fabre, Cecile; Melikechi, Noureddine; Perett, Glynis M.; Campbell, John L.; King, Penelope L.; Barraclough, Bruce; Delapp, Dorothea; Johnstone, Stephen; Meslin, Pierre-Yves; Rosen-Gooding, Anya; Williams, Josh

2014-01-01

The ChemCam instrument package on the Mars rover, Curiosity, provides new capabilities to probe the abundances of certain trace elements in the rocks and soils on Mars using the laser-induced breakdown spectroscopy technique. We focus on detecting and quantifying Li, Ba, Rb, and Sr in targets analyzed during the first 100 sols, from Bradbury Landing Site to Rocknest. Univariate peak area models and multivariate partial least squares models are presented. Li, detected for the first time directly on Mars, is generally low (100 ppm and >1000 ppm, respectively. These analysis locations tend to have high Si and alkali abundances, consistent with a feldspar composition. Together, these trace element observations provide possible evidence of magma differentiation and aqueous alteration.

Modélisation de l'intégration de ressources TAL pour l'apprentissage des langues : la plateforme MIRTO

Directory of Open Access Journals (Sweden)

Claude Ponton

2005-11-01

Full Text Available Le présent article se focalise sur le développement d'outils de traitement automatique des langues (TAL pour l'apprentissage des langues assisté par ordinateur (ALAO. Après avoir identifié les limitations inhérentes aux outils d'ALAO dépourvus de composantes TAL, nous décrivons le cadre général du projet MIRTO, une plateforme de création d'activités pédagogiques fondé sur des outils TAL en développement au sein de notre laboratoire. Cette plateforme est organisée en quatre couches distinctes et successives : fonctions, scripts, activités et scénarios. À travers plusieurs exemples, nous expliquons en quoi l'architecture de MIRTO permet l'implantation de fonctions TAL classiques au sein de scripts, lesquels facilitent la conception, sans compétence informatique préalable, d'activités didactiques, elles-mêmes éventuellement intégrées au sein de séquences plus complexes, ou scénarios.

Report on INT Program INT-17-1a

Energy Technology Data Exchange (ETDEWEB)

Escher, J. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Blackmon, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Elster, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Launey, K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lee, D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Scielzo, N. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-04-19

The purpose of the 5-week program was to bring together physicists from the low-energy nuclear structure and reaction communities to identify avenues for achieving reliable and predictive descriptions of reactions involving nuclei across the isotopic chart. The 4-day embedded workshop focused on connecting theory developments to experimental advances and data needs for astrophysics and other applications.

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...

Pratiques, objets et finalités de collaboration en lien avec l’intégration des tablettes numériques dans une école secondaire | Practices, Objects and Collaboration Purposes Related to the Integration of Digital Tablets in a High School

Directory of Open Access Journals (Sweden)

Nadia Cody

2016-08-01

Full Text Available Bien que les technologies de l’information et de la communication (TIC occupent une place de plus en plus prépondérante, tant au sein de la société que de l’école (Anderson, 2010, on remarque que leur intégration en contexte scolaire représente encore un défi de taille (Underwood et Dillon, 2011. Selon certains auteurs (Portelance, 2011; Desgagné, 1997, la collaboration constituerait un vecteur pour transformer les pratiques éducatives. Comment la collaboration peut-elle contribuer à ce changement que représente l’intégration des TIC? Les résultats d’une recherche-action, menée depuis trois ans de concert avec une école secondaire ayant pour objectif d’intégrer la tablette numérique, permet de mettre en lumière des pratiques, des objets et des finalités de collaboration qui ont émergé entre les différents acteurs, favorisant ainsi l’implantation de cet outil technologique. Although Information and Communication Technologies (ICT play an increasingly predominant role (Anderson, 2010, their integration in school context is still a challenge (Underwood and Dillon, 2011. According to Portelance (2011 and Desgagné (1997, collaboration is one vector that can be used to transform educational practices. How can collaboration contribute to the ICT integration process into our schools? The results of an action research, conducted for three years along with a high school that aims to integrate digital tablet, allows to highlighting practices, objects and collaboration purposes that emerged between actors, therefore facilitating the implementation of this technological tool.

Analyse qualitative de l'intégration de l'éducation sexuelle des jeunes dans les médias audio-visuels à Kinshasa en République Démocratique du Congo.

OpenAIRE

Nsakala, Gabriel Vodiena; Coppieters, Yves; Kayembe, Patrick Kalambayi

2014-01-01

L'éducation sexuelle par les médias de masse contribue positivement à la prévention des infections sexuellement transmissibles (IST)/VIH et des grossesses précoces auprès des jeunes. L'objectifs de cette étude sont d'appréhender le niveau d'intégration de l'éducation sexuelle dans les émissions de santé à Kinshasa en République Démocratique du Congo et d'identifier les facteurs facilitant et limitant l'éducation sexuelle des jeunes dans les programmes audio-visuels congolais. Une triangulatio...

In situ calibration using univariate analyses based on the onboard ChemCam targets: first prediction of Martian rock and soil compositions

Energy Technology Data Exchange (ETDEWEB)

Fabre, C. [GeoRessources lab, Université de Lorraine, Nancy (France); Cousin, A.; Wiens, R.C. [Los Alamos National Laboratory, Los Alamos, NM (United States); Ollila, A. [University of NM, Albuquerque (United States); Gasnault, O.; Maurice, S. [IRAP, Toulouse (France); Sautter, V. [Museum National d' Histoire Naturelle, Paris (France); Forni, O.; Lasue, J. [IRAP, Toulouse (France); Tokar, R.; Vaniman, D. [Planetary Science Institute, Tucson, AZ (United States); Melikechi, N. [Delaware State University (United States)

2014-09-01

Curiosity rover landed on August 6th, 2012 in Gale Crater, Mars and it possesses unique analytical capabilities to investigate the chemistry and mineralogy of the Martian soil. In particular, the LIBS technique is being used for the first time on another planet with the ChemCam instrument, and more than 75,000 spectra have been returned in the first year on Mars. Curiosity carries body-mounted calibration targets specially designed for the ChemCam instrument, some of which are homgeneous glasses and others that are fine-grained glass-ceramics. We present direct calibrations, using these onboard standards to infer elements and element ratios by ratioing relative peak areas. As the laser spot size is around 300 μm, the LIBS technique provides measurements of the silicate glass compositions representing homogeneous material and measurements of the ceramic targets that are comparable to fine-grained rock or soil. The laser energy and the auto-focus are controlled for all sequences used for calibration. The univariate calibration curves present relatively to very good correlation coefficients with low RSDs for major and ratio calibrations. Trace element calibration curves (Li, Sr, and Mn), down to several ppm, can be used as a rapid tool to draw attention to remarkable rocks and soils along the traverse. First comparisons to alpha-particle X-ray spectroscopy (APXS) data, on selected targets, show good agreement for most elements and for Mg# and Al/Si estimates. SiO{sub 2} estimates using univariate cannot be yet used. Na{sub 2}O and K{sub 2}O estimates are relevant for high alkali contents, but probably under estimated due to the CCCT initial compositions. Very good results for CaO and Al{sub 2}O{sub 3} estimates and satisfactory results for FeO are obtained. - Highlights: • In situ LIBS univariate calibrations are done using the Curiosity onboard standards. • Major and minor element contents can be rapidly obtained. • Trace element contents can be used as a

Radiative effects of black carbon aerosols on Indian monsoon: a study using WRF-Chem model

Science.gov (United States)

Soni, Pramod; Tripathi, Sachchida Nand; Srivastava, Rajesh

2018-04-01

The Weather Research and Forecasting model with Chemistry (WRF-Chem) is utilized to examine the radiative effects of black carbon (BC) aerosols on the Indian monsoon, for the year 2010. Five ensemble simulations with different initial conditions (1st to 5th December, 2009) were performed and simulation results between 1st January, 2010 to 31st December, 2010 were used for analysis. Most of the BC which stays near the surface during the pre-monsoon season gets transported to higher altitudes with the northward migration of the Inter Tropical Convergence Zone (ITCZ) during the monsoon season. In both the seasons, strong negative SW anomalies are present at the surface along with positive anomalies in the atmosphere, which results in the surface cooling and lower tropospheric heating, respectively. During the pre-monsoon season, lower troposphere heating causes increased convection and enhanced meridional wind circulation, bringing moist air from Indian Ocean and Bay of Bengal to the North-East India, leading to increased rainfall there. However, during the monsoon season, along with cooling over the land regions, a warming over the Bay of Bengal is simulated. This differential heating results in an increased westerly moisture flux anomaly over central India, leading to increased rainfall over northern parts of India but decreased rainfall over southern parts. Decreased rainfall over southern India is also substantiated by the presence of increased evaporation over Bay of Bengal and decrease over land regions.

A WRF-Chem model study of the impact of VOCs emission of a huge petro-chemical industrial zone on the summertime ozone in Beijing, China

Science.gov (United States)

Wei, Wei; Lv, Zhao Feng; Li, Yue; Wang, Li Tao; Cheng, Shuiyuan; Liu, Huan

2018-02-01

In China, petro-chemical manufacturing plants generally gather in the particular industrial zone defined as PIZ in some cities, and distinctly influence the air quality of these cities for their massive VOCs emissions. This study aims to quantify the local and regional impacts of PIZ VOCs emission and its relevant reduction policy on the surface ozone based on WRF-Chem model, through the case study of Beijing. Firstly, the model simulation under the actual precursors' emissions over Beijing region for July 2010 is conducted and evaluated, which meteorological and chemical predictions both within the thresholds for satisfactory model performance. Then, according to simulated H2O2/HNO3 ratio, the nature of photochemical ozone formation over Beijing is decided, the VOCs-sensitive regime over the urban areas, NOx-sensitive regime over the northern and western rural areas, and both VOCssbnd and NOx-mixed sensitive regime over the southern and eastern rural areas. Finally, a 30% VOCs reduction scenario (RS) and a 100% VOCs reduction scenario (ZS) for Beijing PIZ are additional simulated by WRF-Chem. The sensitivity simulations imply that the current 30% reduction policy would bring about an O3 increase in the southern and western areas (by +4.7 ppb at PIZ site and +2.1 ppb at LLH station), and an O3 decrease in the urban center (by -1.7 ppb at GY station and -2.5 ppb at DS station) and in the northern and eastern areas (by -1.2 ppb at MYX station), mainly through interfering with the circulation of atmospheric HOx radicals. While the contribution of the total VOCs emission of PIZ to ozone is greatly prominent in the PIZ and its surrounding areas along south-north direction (12.7% at PIZ site on average), but slight in the other areas of Beijing (<3% in other four stations on average).

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.

Quantifying sources of elemental carbon over the Guanzhong Basin of China: A consistent network of measurements and WRF-Chem modeling

International Nuclear Information System (INIS)

Li, Nan; He, Qingyang; Tie, Xuexi; Cao, Junji; Liu, Suixin; Wang, Qiyuan; Li, Guohui; Huang, Rujin; Zhang, Qiang

2016-01-01

We conducted a year-long WRF-Chem (Weather Research and Forecasting Chemical) model simulation of elemental carbon (EC) aerosol and compared the modeling results to the surface EC measurements in the Guanzhong (GZ) Basin of China. The main goals of this study were to quantify the individual contributions of different EC sources to EC pollution, and to find the major cause of the EC pollution in this region. The EC measurements were simultaneously conducted at 10 urban, rural, and background sites over the GZ Basin from May 2013 to April 2014, and provided a good base against which to evaluate model simulation. The model evaluation showed that the calculated annual mean EC concentration was 5.1 μgC m −3 , which was consistent with the observed value of 5.3 μgC m −3 . Moreover, the model result also reproduced the magnitude of measured EC in all seasons (regression slope = 0.98–1.03), as well as the spatial and temporal variations (r = 0.55–0.78). We conducted several sensitivity studies to quantify the individual contributions of EC sources to EC pollution. The sensitivity simulations showed that the local and outside sources contributed about 60% and 40% to the annual mean EC concentration, respectively, implying that local sources were the major EC pollution contributors in the GZ Basin. Among the local sources, residential sources contributed the most, followed by industry and transportation sources. A further analysis suggested that a 50% reduction of industry or transportation emissions only caused a 6% decrease in the annual mean EC concentration, while a 50% reduction of residential emissions reduced the winter surface EC concentration by up to 25%. In respect to the serious air pollution problems (including EC pollution) in the GZ Basin, our findings can provide an insightful view on local air pollution control strategies. - Highlights: • A yearlong WRF-Chem simulation is conducted to identify sources of the EC pollution. • A network of

Modeling regional air quality and climate: improving organic aerosol and aerosol activation processes in WRF/Chem version 3.7.1

Science.gov (United States)

Yahya, Khairunnisa; Glotfelty, Timothy; Wang, Kai; Zhang, Yang; Nenes, Athanasios

2017-06-01

Air quality and climate influence each other through the uncertain processes of aerosol formation and cloud droplet activation. In this study, both processes are improved in the Weather, Research and Forecasting model with Chemistry (WRF/Chem) version 3.7.1. The existing Volatility Basis Set (VBS) treatments for organic aerosol (OA) formation in WRF/Chem are improved by considering the following: the secondary OA (SOA) formation from semi-volatile primary organic aerosol (POA), a semi-empirical formulation for the enthalpy of vaporization of SOA, and functionalization and fragmentation reactions for multiple generations of products from the oxidation of VOCs. Over the continental US, 2-month-long simulations (May to June 2010) are conducted and results are evaluated against surface and aircraft observations during the Nexus of Air Quality and Climate Change (CalNex) campaign. Among all the configurations considered, the best performance is found for the simulation with the 2005 Carbon Bond mechanism (CB05) and the VBS SOA module with semivolatile POA treatment, 25 % fragmentation, and the emissions of semi-volatile and intermediate volatile organic compounds being 3 times the original POA emissions. Among the three gas-phase mechanisms (CB05, CB6, and SAPRC07) used, CB05 gives the best performance for surface ozone and PM2. 5 concentrations. Differences in SOA predictions are larger for the simulations with different VBS treatments (e.g., nonvolatile POA versus semivolatile POA) compared to the simulations with different gas-phase mechanisms. Compared to the simulation with CB05 and the default SOA module, the simulations with the VBS treatment improve cloud droplet number concentration (CDNC) predictions (normalized mean biases from -40.8 % to a range of -34.6 to -27.7 %), with large differences between CB05-CB6 and SAPRC07 due to large differences in their OH and HO2 predictions. An advanced aerosol activation parameterization based on the Fountoukis and Nenes

Evaluation of aerosol optical properties of GEOS-Chem over East Asia during the DRAGON-Asia 2012 campaign

Science.gov (United States)

Jo, D. S.; Park, R.; Kim, J.

2015-12-01

A nested version of 3-D chemical transport model (GEOS-Chem v9-01-02) is evaluated over East Asia during the Distributed Regional Aerosol Gridded Observation Networks (DRAGON)-Asia 2012 campaign period, focusing on fine-mode aerosol optical depth (fAOD) and single scattering albedo (SSA). Both are important to assess the effect of anthropogenic aerosols on climate. We compare the daily mean simulated optical properties of aerosols with the observations from DRAGON-Asia campaign for March-May, 2012 (provided in level 2.0: cloud screened and quality assured). We find that the model reproduces the observed daily variability of fAOD (R=0.67), but overestimates the magnitude by 30%, which is in general consistent with other global model comparisons from ACCMIP. However, a significant high bias in the model is found compared to the observed SSA at 440 nm, which is important for determining the sign of aerosol radiative forcing. In order to understand causes for this gap we conduct several sensitivity tests by changing source magnitudes and input parameters of aerosols, affecting the aerosol optical properties under various atmospheric conditions, which allows us to reduce the gap and to find the optimal values in the model.

Tradução Oral à Prima Vista na formação do intérprete: considerações pedagógicas

Directory of Open Access Journals (Sweden)

Gloria Regina Loreto Sampaio

2017-12-01

Full Text Available A Tradução Oral à Prima Vista (TrPV é um elemento de relevância para a formação do intérprete e um componente essencial para o desempenho do futuro profissional em muitos ambientes de atuação. Consequentemente, a prática da TrPV se faz presente em cursos de formação bem estruturados. Neste escrito, após uma breve referência à natureza, complexidade e desafios impostos pela TrPV, e tendo como base uma vivência docente extensa da autora, será apresentada uma possível abordagem pedagógica, voltada à aquisição da competência em TrPV e a um desempenho de qualidade nessa modalidade híbrida, situada no espaço fronteiriço tradução escrita e tradução oral.

Improving the security of electricity supply - report by a rapporteur ad int

International Nuclear Information System (INIS)

Forsten, J.; Lehtonen, M.

2002-07-01

The storms 'Pyry' and 'Janika', which swept over Finland in October-November 2001, caused serious damages to the operability of electric systems and led to long-term and extensive interruptions in electricity supply especially in Pirkanmaa, Central Home, Poijat-Hame and in the Uusimaa region. Although the security of electricity supply in Finland has in general been on a high level, the needs of customers concerning the quality of electrical power are constantly growing, and the operational reliability of the distribution networks will thereby have to be developed. The Rapporteur ad int. appointed by the Ministry of Trade and Industry on 21 November 2001 considers that such a scheme complementing the price reduction under the Electricity Market Act should be set up that would require a fixed compensation from the distribution network operators in the case of non deliverance of electricity. The fixed compensation should be paid automatically for e.g. interruptions lasting over 12 hours. The sum would depend on the length of the interruption and on the customer's annual rate of the network service fee. The Rapporteur also gives a number of other recommendations for improving the situation. Each distribution network operator is to choose the means of improvement on a technical-economical basis. The required level in the design, construction, operation and maintenance of an electrical network should guarantee that the interruptions in electricity supply would not exceed six hours even in exceptional circumstances. Ensuring electrical safety is of prime importance in disturbance situations. Shortening the interruption times and improving the quality of electricity call for sustained investment planning and activities. The distribution network operators should draw up a ten-year action plan. including measures aiming to reduce interruptions and the related timetables. To be able to keep the interruption times short in extensive cases of disturbance, the distribution

"Det är inte mig det är fel på, det är huset" : en studie av prognosfaktorer och bemötande med fokus på sjuka hus-syndromet

OpenAIRE

Edvardsson, Berit

2015-01-01

Bakgrund: Sick Building Syndrome, SBS, är fortfarande 2015 ett tillstånd som vållar mycket diskussion. Symtomen kan grupperas i slemhinnesymtom, hudsymtom och allmänna symtom. I definitionen ingår att personen/ personerna som fått symtom har exponerats för dålig inomhusluft i en speciell byggnad. När personen inte är i byggnaden så förbättras eller försvinner symtomen. Många olika faktorer kan orsaka eller medverka till uppkomst eller försämringar av SBS-symtom, som t.ex. luftens innehåll av ...

When API Mass Spectrometry Meets Super Atmospheric Pressure Ion Sources

Science.gov (United States)

Chen, Lee Chuin

2015-01-01

In a tutorial paper on the application of free-jet technique for API-MS, John Fenn mentioned that “…for a number of years and a number of reasons, it has been found advantageous in many situations to carry out the ionization process in gas at pressures up to 1000 Torr or more” (Int. J. Mass Spectrom. 200: 459–478, 2000). In fact, the first ESI mass spectrometer constructed by Yamashita and Fenn had a counter-flow curtain gas source at 1050 Torr (ca. 1.4 atm) to sweep away the neutral (J. Phys. Chem. 88: 4451–4459, 1984). For gaseous ionization using electrospray plume, theoretical analysis also shows that “super-atmospheric operation would be more preferable in space-charge-limited situations.”(Int. J. Mass Spectrom. 300: 182–193, 2011). However, electrospray and the corona-based chemical ion source (APCI) in most commercial instrument are basically operated under an atmospheric pressure ambient, perhaps out of the concern of safety, convenience and simplicity in maintenance. Running the ion source at pressure much higher than 1 atm is not so common, but had been done by a number of groups as well as in our laboratory. A brief review on these ion sources will be given in this paper. PMID:26819912

Modeling of Soil Erosion by IntErO model: The Case Study of the Novsicki Potok Watershed, of the Prokletije high mountains of Montenegro

Science.gov (United States)

Spalevic, Velibor; Al-Turki, Ali M.; Barovic, Goran; Leandro Naves Silva, Marx; Djurovic, Nevenka; Soares Souza, Walisson; Veloso Gomes Batista, Pedro; Curovic, Milic

2016-04-01

The application of soil conservation programs to combat erosion and sedimentation are significantly contributing to the protection of the natural resources. Watershed management practices include the assessment of Physical-Geographical, Climate, Geological, Pedological characteristics, including the analysis of Land Use of the regions concerned. The policy makers are increasingly looking for the different land uses and climatic scenarios that can be used for valuable projections for watershed management. To increase knowledge about those processes, use of hydrological and soil erosion models is needed and that is allowing quantification of soil redistribution and sediment productions. We focused on soil erosion processes in one of Northern Montenegrin mountain watersheds, the Novsicki Potok Watershed of the Polimlje River Basin, using modeling techniques: the IntErO model for calculation of runoff and soil loss. The model outcomes were validated through measurements of lake sediment deposition at the Potpec hydropower plant dam. Our findings indicate a medium potential of soil erosion risk. With 464 m³ yr-1 of annual sediment yield, corresponding to an area-specific sediment yield of 270 m³km-2 yr-1, the Novsicki Potok drainage basin belongs to the Montenegrin basins with the medium sediment discharge; according to the erosion type, it is surface erosion. The value of the Z coefficient was calculated on 0.403, what indicates that the river basin belongs to 3rd destruction category (of five). Our results suggest that the calculated peak discharge from the river basin was 82 m3s-1 for the incidence of 100 years. According to our analysis there is a possibility for large flood waves to appear in the studied river basin. With this research we, to some extent, improved the knowledge on the status of sediment yield and runoff of the river basins of Montenegro, where the map of Soil erosion is still not prepared. The IntErO model we used in this study is relatively

Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions.

Science.gov (United States)

Duong, Minh V; Nguyen, Hieu T; Mai, Tam V-T; Huynh, Lam K

2018-01-03

Master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) has shown to be a powerful framework for modeling kinetic and dynamic behaviors of a complex gas-phase chemical system on a complicated multiple-species and multiple-channel potential energy surface (PES) for a wide range of temperatures and pressures. Derived from the ME time-resolved species profiles, the macroscopic or phenomenological rate coefficients are essential for many reaction engineering applications including those in combustion and atmospheric chemistry. Therefore, in this study, a least-squares-based approach named Global Minimum Profile Error (GMPE) was proposed and implemented in the MultiSpecies-MultiChannel (MSMC) code (Int. J. Chem. Kinet., 2015, 47, 564) to extract macroscopic rate coefficients for such a complicated system. The capability and limitations of the new approach were discussed in several well-defined test cases.

Impact des matériaux biosourcés sur le climat intérieur : Un outil de calcul flexible à l'échelle de la pièce

OpenAIRE

Dubois, Samuel; Lebeau, Frédéric

2014-01-01

L'impact de l'utilisation de matériaux d'origine végétale sur le climat intérieur, et donc sur le confort des occupants ainsi que la performance énergétique du bâtiment, n'est établi que partiellement. Ces produits présentent des propriétés hygroscopiques et capillaires causant des phénomènes spécifiques liés aux changements de phase dynamiques au sein de la matrice poreuse. Les modèles mathématiques utilisés pour étudier leur comportement hygrothermique de manière détaillée sont souvent des ...

Le lac Titicaca: histoire perdue d'une mer intérieure

Directory of Open Access Journals (Sweden)

1992-01-01

Full Text Available Cet article tente de reconstruire l’histoire de la région du lac Titicaca et de son peuplement pour la période précédant l’arrivée des espagnols. Á cet effet, nous avons utilisé une approche multidisciplinaire (sédimentologie, archéologie, mythologie qui autorise, depuis l’amont et dans la longue durée, un nouvel éclairage des données historiques du XVIe siècle. Malgré les changements climatiques et politiques ayant affecté les rives du Titicaca avant la Conquête espagnole, il existe une continuité historique qui va de la civilisation de Pukará à Hatuncolla en passant par Tiwanaku. Si la documentation espagnole ne rend pas compte de l’importance des anciennes populations riveraines et notamment des pukinas, c’est qu’il était de l’intérêt des envahisseurs successifs (aymaras, incas, espagnols de l’occulter. EL LAGO TITICACA: HISTORIA PERDIDA DE UN MAR INTERIOR. Este artículo constituye un intento de reconstrucción de la historia del lago Titicaca y de su poblamiento por el período que precede la llegada de los españoles. En esta perspectiva, hemos utilizado una aproximación multidisciplinaria (sedimentología, arqueología, mitología que autoriza una nueva lectura de las fuentes históricas del siglo XVI, a partir de datos remotos y en la larga duración. A pesar de los cambios climáticos y políticos que afectaron las orillas del Titicaca antes de la Conquista española, existe una continuidad histórica que va de la cultura de Pukará hasta Hatuncolla (pasando por Tiwanaku. Si la documentación española no toma en cuenta la importancia de las antiguas poblaciones lacustres, particularmente los pukinas, es porque el interés de sus sucesivos vencedores (aymara, incas, españoles era de ocultarla. THE TITICACA LAKE: HISTORY LOST IN THE CENTER OF A DEEP IMMENSITY. This article comprises an attempt to reconstruct the Titicaca Lake history and its colonization during the period preceding the Spanish arrival. On

Excess electron is trapped in a large single molecular cage C60F60.

Science.gov (United States)

Wang, Yin-Feng; Li, Zhi-Ru; Wu, Di; Sun, Chia-Chung; Gu, Feng-Long

2010-01-15

A new kind of solvated electron systems, sphere-shaped e(-)@C60F60 (I(h)) and capsule-shaped e(-)@C60F60 (D6h), in contrast to the endohedral complex M@C60, is represented at the B3LYP/6-31G(d) + dBF (diffusive basis functions) density functional theory. It is proven, by examining the singly occupied molecular orbital (SOMO) and the spin density map of e(-)@C60F60, that the excess electron is indeed encapsulated inside the C60F60 cage. The shape of the electron cloud in SOMO matches with the shape of C60F60 cage. These cage-like single molecular solvated electrons have considerably large vertical electron detachment energies VDE of 4.95 (I(h)) and 4.67 eV (D6h) at B3LYP/6-31+G(3df) + dBF level compared to the VDE of 3.2 eV for an electron in bulk water (Coe et al., Int Rev Phys Chem 2001, 20, 33) and that of 3.66 eV for e(-)@C20F20 (Irikura, J Phys Chem A 2008, 112, 983), which shows their higher stability. The VDE of the sphere-shaped e(-)@C60F60 (I(h)) is greater than that of the capsule-shaped e(-)@C60F60 (D6h), indicating that the excess electron prefers to reside in the cage with the higher symmetry to form the more stable solvated electron. It is also noticed that the cage size [7.994 (I(h)), 5.714 and 9.978 A (D6h) in diameter] is much larger than that (2.826 A) of (H2O)20- dodecahedral cluster (Khan, Chem Phys Lett 2005, 401, 85). Copyright 2009 Wiley Periodicals, Inc.

La science comme pratique d’intégration dans la société des princes. Les Grimaldi de Monaco et la curiosité savante (xviie–xviiie siècle)

OpenAIRE

Thomas Fouilleron

2011-01-01

Jusque-là seigneur de Monaco, Honoré II (1597-1662) prend, en 1612, le titre de prince. En 1641, il se place sous la protection du roi de France qui confirme, par le traité de Péronne, sa souveraineté. Parallèlement à son effort d’affirmation politique, il s’attache à intégrer la société européenne des princes en adoptant les pratiques culturelles de la distinction monarchique.Souverains à Monaco et grands aristocrates en France, les Grimaldi constituent, au xviie siècle, des cabinets de curi...

The ω-limit sets of a flow and periodic orbits

International Nuclear Information System (INIS)

Wang Xiaoxia; Blackmore, Denis; Wang Chengwen

2009-01-01

In this paper we discuss the ω-limit sets of a flow using the Conley theory, chain recurrence and Morse decompositions. Our results generalize and improve the related result in [Schropp J. A reduction principle for ω-limit sets. Z Angew Math Meth 1996;76(6):349-56], and we also show how they can be used as a basis for some new criteria for the existence of periodic orbits.

Intégrer la notion d’équité : création d'un cadre d'action pour placer la mobilisation du savoir et l’équité en santé au coeur des rapports sur l’état de santé des populations

Directory of Open Access Journals (Sweden)

Lesley Ann Dyck

2018-01-01

Full Text Available Les centres de collaboration nationale en santé publique (CCNSP ont collaboré à l’élaboration d’un cadre d’action visant à intégrer la notion d’équité dans les rapports sur l’état de santé des populations (RESP. Ce cadre d’action rassemble les comptes rendus de recherche et une expérience de terrain fondée sur une approche originale d’apprentissage collaboratif faisant appel aux praticiens en santé publique du Canada. Dans cet article, nous présentons le cadre d’action, nous décrivons le processus d’apprentissage et nous situons les RESP au sein des travaux en cours dans le secteur de la santé publique. Nous analysons ensuite la nature des données probantes sur les déterminants sociaux de la santé à titre de dimension clé pour déterminer sur quoi portent les rapports et comment ces données y sont intégrées. Enfin, nous établissons le lien entre les données et la mise en oeuvre en explorant le concept de renseignements exploitables et en détaillant le cadre d’action visant à intégrer la notion d’équité dans les RESP. Nous concluons sur l’importance de placer la mobilisation du savoir au coeur du processus d’élaboration des RESP et nous apportons des suggestions pour les prochaines étapes. Notre objectif est d’encourager les praticiens à utiliser le cadre d’action, à en discuter et, ultimement, à le renforcer.

New Comment on Gibbs Density Surface of Fluid Argon: Revised Critical Parameters, L. V. Woodcock, Int. J. Thermophys. (2014) 35, 1770-1784

Science.gov (United States)

Umirzakov, I. H.

2018-01-01

The author comments on an article by Woodcock (Int J Thermophys 35:1770-1784, 2014), who investigates the idea of a critical line instead of a single critical point using the example of argon. In the introduction, Woodcock states that "The Van der Waals critical point does not comply with the Gibbs phase rule. Its existence is based upon a hypothesis rather than a thermodynamic definition". The present comment is a response to the statement by Woodcock. The comment mathematically demonstrates that a critical point is not only based on a hypothesis that is used to define values of two parameters of the Van der Waals equation of state. Instead, the author argues that a critical point is a direct consequence of the thermodynamic phase equilibrium conditions resulting in a single critical point. It is shown that the thermodynamic conditions result in the first and second partial derivatives of pressure with respect to volume at constant temperature at a critical point equal to zero which are usual conditions of an existence of a critical point.

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

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

Etude sur l'utilisation des réseaux sociaux en bibliothèque universitaire: le cas de l'intégration de la Bibliothèque de l'EPFL

OpenAIRE

Wagnières, Flore; Rezzonico, Ariane

2012-01-01

Dans une société où les réseaux sociaux prennent de plus en plus d’importance dans la vie de tous les jours, la Bibliothèque de l’École polytechnique fédérale de Lausanne (EPFL) a souhaité étudier les possibilités de s’intégrer sur ces plateformes afin de mieux s’adapter à ces utilisateurs aux pratiques numériques envahissantes. Dans ce travail j’ai essayé de saisir les différents enjeux des réseaux sociaux pour une bibliothèque ainsi que de comprendre l’évolution technologique qui a mené à c...

Barite formation in the presence of a commercial copolymer

Science.gov (United States)

Ruiz-Agudo, Cristina; Putnis, Christine; Ruiz-Agudo, Encarnacion; Putnis, Andrew

2015-04-01

early stages of barite precipitation in the presence and absence of this copolymer. With this purpose, barite was precipitated by mixing of BaCl2 and Na2SO4 solutions (with copolymer previously added to the sulphate solution). The process was quenched with ethanol at different times and the particles obtained were observed ex-situ using TEM. According to our observations, the organic molecule seems to be incorporated into barite nanoparticles, hindering or delaying their recrystallization into micron-sized crystals and stabilizing barite mesocrystals. Benton,W.J.; Collins, I.R.; Grimsey, I.M.; Parkinson, G.M.; Rodger, S.A. Faraday Discussions 1993, 95, 281-297. L. Qi; H. Cölfen; M. Antonietti. Angew. Chem. Int. Ed. 2000, 39 (3), 604-607. Wang, T.; Coelfen, H. Langmuir 2006, 22, 8975-8985. Mavredaki, E.; Neville, A.; Sorbie, K. S. Cryst. Growth Des. 2011, 11, 4751-4758. Acknowledgement: C.R-A. acknowledges a Marie Curie Fellowship: EU ITN MINSC (Mineral Scale Formation, PITN-GA-2011-290040).

Impact of vehicular emissions on the formation of fine particles in the Sao Paulo Metropolitan Area: a numerical study with the WRF-Chem model

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A. Vara-Vela

2016-01-01

Full Text Available The objective of this work is to evaluate the impact of vehicular emissions on the formation of fine particles (PM2.5;  ≤  2.5 µm in diameter in the Sao Paulo Metropolitan Area (SPMA in Brazil, where ethanol is used intensively as a fuel in road vehicles. The Weather Research and Forecasting with Chemistry (WRF-Chem model, which simulates feedbacks between meteorological variables and chemical species, is used as a photochemical modelling tool to describe the physico-chemical processes leading to the evolution of number and mass size distribution of particles through gas-to-particle conversion. A vehicular emission model based on statistical information of vehicular activity is applied to simulate vehicular emissions over the studied area. The simulation has been performed for a 1-month period (7 August–6 September 2012 to cover the availability of experimental data from the NUANCE-SPS (Narrowing the Uncertainties on Aerosol and Climate Changes in Sao Paulo State project that aims to characterize emissions of atmospheric aerosols in the SPMA. The availability of experimental measurements of atmospheric aerosols and the application of the WRF-Chem model made it possible to represent some of the most important properties of fine particles in the SPMA such as the mass size distribution and chemical composition, besides allowing us to evaluate its formation potential through the gas-to-particle conversion processes. Results show that the emission of primary gases, mostly from vehicles, led to a production of secondary particles between 20 and 30 % in relation to the total mass concentration of PM2.5 in the downtown SPMA. Each of PM2.5 and primary natural aerosol (dust and sea salt contributed with 40–50 % of the total PM10 (i.e. those  ≤  10 µm in diameter concentration. Over 40 % of the formation of fine particles, by mass, was due to the emission of hydrocarbons, mainly aromatics. Furthermore, an increase in the

Impact of vehicular emissions on the formation of fine particles in the Sao Paulo Metropolitan Area: a numerical study with the WRF-Chem model

Science.gov (United States)

Vara-Vela, A.; Andrade, M. F.; Kumar, P.; Ynoue, R. Y.; Muñoz, A. G.

2016-01-01

The objective of this work is to evaluate the impact of vehicular emissions on the formation of fine particles (PM2.5; ≤ 2.5 µm in diameter) in the Sao Paulo Metropolitan Area (SPMA) in Brazil, where ethanol is used intensively as a fuel in road vehicles. The Weather Research and Forecasting with Chemistry (WRF-Chem) model, which simulates feedbacks between meteorological variables and chemical species, is used as a photochemical modelling tool to describe the physico-chemical processes leading to the evolution of number and mass size distribution of particles through gas-to-particle conversion. A vehicular emission model based on statistical information of vehicular activity is applied to simulate vehicular emissions over the studied area. The simulation has been performed for a 1-month period (7 August-6 September 2012) to cover the availability of experimental data from the NUANCE-SPS (Narrowing the Uncertainties on Aerosol and Climate Changes in Sao Paulo State) project that aims to characterize emissions of atmospheric aerosols in the SPMA. The availability of experimental measurements of atmospheric aerosols and the application of the WRF-Chem model made it possible to represent some of the most important properties of fine particles in the SPMA such as the mass size distribution and chemical composition, besides allowing us to evaluate its formation potential through the gas-to-particle conversion processes. Results show that the emission of primary gases, mostly from vehicles, led to a production of secondary particles between 20 and 30 % in relation to the total mass concentration of PM2.5 in the downtown SPMA. Each of PM2.5 and primary natural aerosol (dust and sea salt) contributed with 40-50 % of the total PM10 (i.e. those ≤ 10 µm in diameter) concentration. Over 40 % of the formation of fine particles, by mass, was due to the emission of hydrocarbons, mainly aromatics. Furthermore, an increase in the number of small particles impaired the

Simulation of West African air pollution during the DACCIWA experiment with the GEOS-Chem West African regional model.

Science.gov (United States)

Morris, Eleanor; Evans, Mathew

2017-04-01

Pollutant emissions from West African cities are forecast to increase rapidly in future years because of extensive economic and population growth, together with poorly regulated industrialisation and urbanisation. Observational constraints in this region are few, leading to poor understanding of present-day air pollution in this region. To increase our understanding of the processes controlling air pollutants over the region, airborne observations were made from three research aircraft based out of Lomé, Togo during the DACCIWA field campaign in June-July 2016. A new 0.25x0.3125 degree West Africa regional version of the GEOS-Chem offline chemical transport model has also been developed to explore the processes controlling pollutants over the region. We evaluate the model using the aircraft data and focus on primary (CO, SO2, NOx, VOCs) and secondary pollutants (O3, aerosol). We find significant differences between the model and the measurements for certain primary compounds which is indicative of significant uncertainties in the base (EDGAR) emissions. For CO (a general tracer of pollution) we evaluate the role of different emissions sources (transport, low temperature combustion, power generation) in determining its concentration in the region. We conclude that the leading cause of uncertainty in our simulation is associated with the emissions datasets and explore the impact of using differing datasets.

Surface Pressure Dependencies in the GEOS-Chem-Adjoint System and the Impact of the GEOS-5 Surface Pressure on CO2 Model Forecast

Science.gov (United States)

Lee, Meemong; Weidner, Richard

2016-01-01

In the GEOS-Chem Adjoint (GCA) system, the total (wet) surface pressure of the GEOS meteorology is employed as dry surface pressure, ignoring the presence of water vapor. The Jet Propulsion Laboratory (JPL) Carbon Monitoring System (CMS) research team has been evaluating the impact of the above discrepancy on the CO2 model forecast and the CO2 flux inversion. The JPL CMS research utilizes a multi-mission assimilation framework developed by the Multi-Mission Observation Operator (M2O2) research team at JPL extending the GCA system. The GCA-M2O2 framework facilitates mission-generic 3D and 4D-variational assimilations streamlining the interfaces to the satellite data products and prior emission inventories. The GCA-M2O2 framework currently integrates the GCA system version 35h and provides a dry surface pressure setup to allow the CO2 model forecast to be performed with the GEOS-5 surface pressure directly or after converting it to dry surface pressure.

Étude sur l'utilisation des réseaux sociaux en bibliothèque universitaire : le cas de l'intégration de la Bibliothèque de l'EPFL

OpenAIRE

Wagnières, Flore

2012-01-01

Dans une société où les réseaux sociaux prennent de plus en plus d’importance dans la vie de tous les jours, la Bibliothèque de l’École polytechnique fédérale de Lausanne (EPFL) a souhaité étudier les possibilités de s’intégrer sur ces plateformes afin de mieux s’adapter à ces utilisateurs aux pratiques numériques envahissantes. Dans ce travail j’ai essayé de saisir les différents enjeux des réseaux sociaux pour une bibliothèque ainsi que de comprendre l’évolution technologique qui a mené à c...

Thobie Jacques, Les Intérêts culturels français dans l’Empire ottoman finissant. L’enseignement laïque et en partenariat, Peeters, Leuven, 2009, 461 p.

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Caroline Piquet

2010-09-01

Full Text Available À l’heure où la France cherche à relancer sa politique culturelle au Moyen-Orient avec l’implantation d’universités et de lycées prestigieux, l’ouvrage de Jacques Thobie vient nourrir la réflexion sur le rôle de l’éducation dans les processus d’expansion politique et le jeu des puissances. Jacques Thobie publie ici le complément à sa thèse désormais célèbre, Intérêts et impérialisme français dans l’Empire Ottoman 1895-1914. L’ouvrage n’est que la première partie d’un travail sur l’enseignemen...

Modeling regional air quality and climate: improving organic aerosol and aerosol activation processes in WRF/Chem version 3.7.1

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K. Yahya

2017-06-01

Full Text Available Air quality and climate influence each other through the uncertain processes of aerosol formation and cloud droplet activation. In this study, both processes are improved in the Weather, Research and Forecasting model with Chemistry (WRF/Chem version 3.7.1. The existing Volatility Basis Set (VBS treatments for organic aerosol (OA formation in WRF/Chem are improved by considering the following: the secondary OA (SOA formation from semi-volatile primary organic aerosol (POA, a semi-empirical formulation for the enthalpy of vaporization of SOA, and functionalization and fragmentation reactions for multiple generations of products from the oxidation of VOCs. Over the continental US, 2-month-long simulations (May to June 2010 are conducted and results are evaluated against surface and aircraft observations during the Nexus of Air Quality and Climate Change (CalNex campaign. Among all the configurations considered, the best performance is found for the simulation with the 2005 Carbon Bond mechanism (CB05 and the VBS SOA module with semivolatile POA treatment, 25 % fragmentation, and the emissions of semi-volatile and intermediate volatile organic compounds being 3 times the original POA emissions. Among the three gas-phase mechanisms (CB05, CB6, and SAPRC07 used, CB05 gives the best performance for surface ozone and PM2. 5 concentrations. Differences in SOA predictions are larger for the simulations with different VBS treatments (e.g., nonvolatile POA versus semivolatile POA compared to the simulations with different gas-phase mechanisms. Compared to the simulation with CB05 and the default SOA module, the simulations with the VBS treatment improve cloud droplet number concentration (CDNC predictions (normalized mean biases from −40.8 % to a range of −34.6 to −27.7 %, with large differences between CB05–CB6 and SAPRC07 due to large differences in their OH and HO2 predictions. An advanced aerosol activation

Comments on Triassi et al. Environmental Pollution from Illegal Waste Disposal and Health Effects: A Review on the “Triangle of Death”. Int. J. Environ. Res. Public Health 2015, 12, 1216–1236

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Maurizio Bifulco

2015-03-01

Full Text Available A recent paper was published on Int. J. Environ. Res. Public Health addressing the so-called “Triangle of Death” linked to waste crisis in the Southern Italy [1]. Three decades of illegal waste management including uncontrolled disposal of toxic and industrial material, land filling and unauthorized incineration have transformed these Italian areas, into the poisoned dustbin of the country, the “Triangle of Death” also called “Land of Fires” [2,3], characterized by the presence of a widespread organized crime, a huge social and economic disintegration, a high population density with large migration flows. [...

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

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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.

O papel do intérprete de libras no contexto da educação inclusiva: problematizando a política e a prática

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Joelma Remígio de Araújo

2017-02-01

Full Text Available Este é um estudo qualitativo de caráter etnográfico sobre as políticas educacionais inclusivas para surdos, no tocante à presença do Intérprete de Língua de Sinais (ILS no espaço de escolarização. Tratamos deste assunto por entendermos ser este profissional de fundamental importância para a educação de surdos, considerando também o momento histórico, em que teve reconhecida sua profissão, a partir de uma lei específica. Assim, entendendo que cada vez mais se reveste de importância a atuação deste profissional, buscamos, por meio da presente pesquisa, observar como ele está atuando nas escolas inclusivas e quais as consequências desta atuação na escolarização dos surdos.

High Resolution Rotational Spectroscopy of a Flexible Cyclic Ether

Science.gov (United States)

Gámez, F.; Martínez-Haya, B.; Blanco, S.; López, J. C.; Alonso, J. L.

2011-06-01

Crown ethers stand as one cornerstone molecular class inhost-guest Supramolecular Chemistry and constitute building blocks for a broad range of modern materials. We report here the first high resolution rotational study of a crown ether: 1,4,7,10,13-pentaoxacyclopentadecane (15-crown-5 ether,15c5). Molecular beam Fourier transform microwave spectroscopy has been employed. The liquid sample of 15c5 has been vaporized using heating methods. The considerable size of 15c5 and the broad range of conformations allowed by the flexibility of its backbone pose important challenges to spectroscopy approaches. In fact, the ab-initio computational study for isolated 15c5, yields at least six stable conformers with relative free energies within 2 kJ Mol-1 (167 Cm-1). Nevertheless, in this investigation it has been possible to identify and characterize in detail one stable rotamer of the 15c5 molecule and to challenge different quantum methods for the accurate description of this system. The results pave the ground for an extensive description of the conformational landscape of 15c5 and related cyclic ethers in the near term. J. L. Alonso, F. J. Lorenzo, J. C. López, A. Lesarri, S. Mata and H. Dreizler, Chem. Phys., 218, 267 (1997) S. Blanco, J.C López, J.L. Alonso, P. Ottaviani, W. Caminati, J. Chem. Phys. 119, 880 (2003) S.E. Hill, D. Feller, Int. J. Mass Spectrom. 201, 41 (2000)

Chemical and physical structures of proteinoids and related polyamino acids

Science.gov (United States)

Mita, Hajime; Kuwahara, Yusuke; Nomoto, Shinya

Studies of polyamino acid formation pathways in the prebiotic condition are important for the study of the origins of life. Several pathways of prebiotic polyamino acid formation have been reported. Heating of monoammonium malate [1] and heating of amino acids in molten urea [2] are important pathways of the prebiotic peptide formation. The former case, globular structure called proteinoid microsphere is formed in aqueous conditions. The later case, polyamino acids are formed from unrestricted amino acid species. Heating of aqueous aspargine is also interesting pathway for the prebiotic polyamino acid formation, because polyamino acid formation proceeds in aqueous condition [3]. In this study, we analyzed the chemical structure of the proteinoids and related polyamino acids formed in the above three pathways using with mass spectrometer. In addition, their physical structures are analyzed by the electron and optical microscopes, in order to determine the self-organization abilities. We discuss the relation between the chemical and the physical structures for the origins of life. References [1] Harada, K., J. Org. Chem., 24, 1662 (1959), Fox, S. W., Harada, K., and Kendrick, J., Science, 129, 1221 (1959). [2] Terasaki, M., Nomoto, S., Mita, H., and Shimoyama, A., Chem. Lett., 480 (2002), Mita, H., Nomoto, S., Terasaki, M., Shimoyama, A., and Yamamoto, Y., Int. J. Astrobiol., 4, 145 (2005). [3] Kovacs, K and Nagy, H., Nature, 190, 531 (1961), Munegumi, T., Tanikawa, N., Mita, H. and Harada, K., Viva Origino, 22, 109 (1994).

ODM2 (Observation Data Model): The EarthChem Use Case

Science.gov (United States)

Lehnert, Kerstin; Song, Lulin; Hsu, Leslie; Horsburgh, Jeffrey S.; Aufdenkampe, Anthony K.; Mayorga, Emilio; Tarboton, David; Zaslavsky, Ilya

2014-05-01

PetDB is an online data system that was created in the late 1990's to serve online a synthesis of published geochemical and petrological data of igneous and metamorphic rocks. PetDB has today reached a volume of 2.5 million analytical values for nearly 70,000 rock samples. PetDB's data model (Lehnert et al., G-Cubed 2000) was designed to store sample-based observational data generated by the analysis of rocks, together with a wide range of metadata documenting provenance of the samples, analytical procedures, data quality, and data source. Attempts to store additional types of geochemical data such as time-series data of seafloor hydrothermal springs and volcanic gases, depth-series data for marine sediments and soils, and mineral or mineral inclusion data revealed the limitations of the schema: the inability to properly record sample hierarchies (for example, a garnet that is included in a diamond that is included in a xenolith that is included in a kimberlite rock sample), inability to properly store time-series data, inability to accommodate classification schemes other than rock lithologies, deficiencies of identifying and documenting datasets that are not part of publications. In order to overcome these deficiencies, PetDB has been developing a new data schema using the ODM2 information model (ODM=Observation Data Model). The development of ODM2 is a collaborative project that leverages the experience of several existing information representations, including PetDB and EarthChem, and the CUAHSI HIS Observations Data Model (ODM), as well as the general specification for encoding observational data called Observations and Measurements (O&M) to develop a uniform information model that seamlessly manages spatially discrete, feature-based earth observations from environmental samples and sample fractions as well as in-situ sensors, and to test its initial implementation in a variety of user scenarios. The O&M model, adopted as an international standard by the Open

Synthèse bibliographique sur le comportement de recherche de l’hôte chez la punaise de lit (Cimex lectularius) et applications dans le cadre de la lutte intégrée

OpenAIRE

Legrand, Pauline; Verheggen, François; Haubruge, Eric; Francis, Frédéric

2016-01-01

Cette étude analyse le comportement de recherche de l’hôte chez la punaise de lit, Cimex lectularius, en portant une attention particulière sur les stimuli émis par l’Homme et impliqués dans ce processus d’orientation. Elle met également en évidence les applications possibles en matière de lutte intégrée. La punaise de lit est un ectoparasite exclusivement hématophage étroitement lié à l’Homme depuis des millénaires. Lors de sa recherche alimentaire, cet insecte utilise des stimuli émis pa...

ChemView

Data.gov (United States)

U.S. Environmental Protection Agency — Search tool developed to provide stakeholders access to various TSCA chemicals, and health and safety information. The tool also provides EPA assessments and actions...

"Vi är inte en tummelplats för dårar" : Hur journalister och ansvariga utgivare resonerar kring och förhåller sig till användargenererat material i lokaltidningar

OpenAIRE

Öberg, Therese; Borgström, Johanna

2010-01-01

Sedan 1700-talet har läsarnas medverkan varit en väsentlig del i tidningarnas produktion. Utan deras deltagande har det inte heller blivit någon tidning. En förändring på området skedde när professionaliseringen av publicistrollen blev ett faktum och läsarnas medverkan ifrågasattes. Samhällsförändringar och tekniska utvecklingar har sedan lett fram till det vi har idag: ett samhälle där medieorganisationerna är i allt större behov av att läsarna återigen deltar i olika former. Syftet med stud...

POLÍTICAS DE INCENTIVO À INOVAÇÃO TECNOLÓGICA NO BRASIL - A INTERAÇÃO DAS INSTITUIÇÕES CIENTÍFICAS E TECNOLÓGICAS COM EMPRESAS: UM ESTUDO DO INSTITUTO NACIONAL DE TECNOLOGIA (INT E DAS EMPRESAS DO SETOR QUÍMICO

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Telma de Oliveira

2013-09-01

Full Text Available Esse trabalho tem comoobjetivo, analisar as interações de uma Instituição Científica e Tecnológica(ICT, o Instituto Nacional de Tecnologia (INT, com as empresas do setorquímico, importante área de atuação da instituição. Visa também, avaliar oconhecimento dessas empresas, sobre as políticas de incentivo à inovação, equanto elas tem contribuído para a relação ICT - Empresa. Verificou-se quetanto por parte do INT quanto por parte das empresas, que a maior interaçãoocorre na prestação de serviços tecnológicos. Em relação às políticas deincentivo à inovação verificou-se que a Lei de Inovação e a recente criação daEmpresa Brasileira de Pesquisa e Inovação Industrial - Embrapii ainda nãoimpactaram significativamente na realização de projetos conjuntos de P&D.Constatou-se que há por parte das empresas químicas, um maior interesse pelapolítica de incentivos fiscais (Lei do BEM, fato explicado pela busca namelhoria da competitividade das empresas do setor.

Construire ses cartes : le développement d’outils statistiques interactifs intégrés à un SIG

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Benoît Ogier

1999-06-01

Full Text Available Les systèmes d’exploitation des micro-ordinateurs proposent aujourd’hui des interfaces conviviales. En outre, certains micro-SIG offrent des possibilités intéressantes de développement par l’intermédiaire de " plug ins ", dans les langages de programmation les plus courants (Pascal, C, Delphi.... C’est sur ces bases que nous avons pu compléter les fonctionnalités d’un micro-SIG (requêtes spatiales, calcul d’itinéraire, gestion de données, cartographie..., par une série de modules statistiques et graphiques.Ces outils mettent à la disposition de l’utilisateur, toutes les informations statistiques et représentations, nécessaires à une analyse complète des données. En effet, les modules sont liés entre eux, ce qui permet d’aborder une étude sous plusieurs angles simultanément, et de comparer les résultats de différentes méthodes. De plus, une mise a jour automatique de la carte s’effectue dès que l’on procède à une mise en classe à l’aide d’un des modules. On est donc en présence d’une complète interactivité SIG-Cartes-Statistiques.Mais on peut aller plus loin et envisager l’expérimentation d’autres outils graphiques, notamment pour l’exploitation des résultats d’analyses factorielles.

Intégration des données de l'atlas des marais atlantiques alimentés en eau de mer dans un système d'information à référence spatiale

OpenAIRE

Loubersac, Lionel; Manaud, Francois; Loarer, Ronan; Kerdreux, Michel; Durand, Christophe

1998-01-01

Ce papier décrit une méthodologie d’intégration des données analogiques d’un Atlas des marais salés atlantiques dans un SIG. On développe les différentes étapes de la méthode après avoir décrit les données originales sources sous forme de cartographie analogique thématique et de textes associés. Ces étapes incluent la digitalisation, les corrections géométriques, la définition d’une typologie et d’attributs, la mise en place de liens entre les graphiques, textes et images, le croisement de co...

Radiative effects of light-absorbing particles deposited in snow over Himalayas using WRF-Chem simulations

Science.gov (United States)

Sarangi, C.; Qian, Y.; Painter, T. H.; Liu, Y.; Lin, G.; Wang, H.

2017-12-01

Radiative forcing induced by light-absorbing particles (LAP) deposited on snow is an important surface forcing. It has been debated that an aerosol-induced increase in atmospheric and surface warming over Tibetan Plateau (TP) prior to the South Asian summer monsoon can have a significant effect on the regional thermodynamics and South Asian monsoon circulation. However, knowledge about the radiative effects due to deposition of LAP in snow over TP is limited. In this study we have used a high-resolution WRF-Chem (coupled with online chemistry and snow-LAP-radiation model) simulations during 2013-2014 to estimate the spatio-temporal variation in LAP deposition on snow, specifically black carbon (BC) and dust particles, in Himalayas. Simulated distributions in meteorology, aerosol concentrations, snow albedo, snow grain size and snow depth are evaluated against satellite and in-situ measurements. The spatio-temporal change in snow albedo and snow grain size with variation in LAP deposition is investigated and the resulting shortwave LAP radiative forcing at surface is calculated. The LAP-radiative forcing due to aerosol deposition, both BC and dust, is higher in magnitude over Himalayan slopes (terrain height below 4 km) compared to that over TP (terrain height above 4 km). We found that the shortwave aerosol radiative forcing efficiency at surface due to increase in deposited mass of BC particles in snow layer ( 25 (W/m2)/ (mg/m2)) is manifold higher than the efficiency of dust particles ( 0.1 (W/m2)/ (mg/m2)) over TP. However, the radiative forcing of dust deposited in snow is similar in magnitude (maximum 20-30 W/m2) to that of BC deposited in snow over TP. This is mainly because the amount of dust deposited in snow over TP can be about 100 times greater than the amount of BC deposited in snow during polluted conditions. The impact of LAP on surface energy balance, snow melting and atmospheric thermodynamics is also examined.

Insécurité urbaine, analyse criminologique et prévention situationnelle intégrée - Urban insecurity, criminological analysis and integrated situational prevention - Insicurezza urbana, analisi criminologica e prevenzione situazionale integrata

Directory of Open Access Journals (Sweden)

Koudou O.

2009-08-01

Full Text Available L’insécurité en Côte d’Ivoire est stable. Les actions et missions de la police ne suffisent pas pour la réguler. Il est possible de compléter celles-ci par la stratégie de la prévention situationnelle « intégrée ». Celle-ci porte sur huit points complémentaires : 1- Analyse des problèmes criminels ; 2- Intégration de la technologie de sécurité ; 3- Surveillance continue de précision ; 4- Restauration de sites à risques ; 5- Police de proximité anticipatrice ; 6- Actions coordonnées des régulateurs ; 7- Modification de l’attitude des victimes potentielles ; 8- Evaluation et adaptation des actions.Insecurity in Ivory Coast is stable. Acts and assignments of police are not enough to decline it. It is possible to complete these by the strategy of “integrative” situational prevention. These are supported by eight complementary degrees: 1- Analysis of criminals problems; 2- Integration of security technology; 3- Precision in uninterrupted supervision; 4- Restoration of risks situations; 5- Proximity police for anticipation; 6- Regulator co-ordination acts; 7- Modification of potential victims attitudes; 8- Valuation and adaptation acts.L’insicurezza in Costa d’Avorio è stabile. Le azioni e gli interventi della polizia non sono sufficienti a regolarla ed è possibile completarli tramite la strategia della prevenzione situazionale « integrata ». Quest’ultima si basa su otto punti complementari : 1- Analisi dei problemi di criminalità ; 2- Integrazione della tecnologia di sicurezza ; 3- Sorveglianza continua e puntuale ; 4- Ripristino di situazioni a rischio ; 5- Polizia di prossimità preventiva ; 6- Azioni coordinate di regolazione ; 7- Modifiche dei comportamenti delle vittime potenziali ; 8- Valutazione ed adattamento delle azioni intraprese.

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.

Le travail de recherche documentaire et de production collective en ligne : Propositions pour l’intégration pragmatique, progressive et incrémentale des technologies numériques dans les pratiques enseignantes

Directory of Open Access Journals (Sweden)

Jean Heutte

2010-01-01

Full Text Available Inspiré du socioconstructivisme et axé sur l’étayage, le travail de recherche documentaire et de production collective en ligne (Dodge, 1995; March, 1998, 2006 offre une multitude de variantes qui permettent d’accompagner les enseignants dans la conception et la mise en œuvre de situations pédagogiques dans lesquelles: - l’intégration des technologies numériques sera pragmatique, progressive et incrémentale; - les apprenants auront plus à apprendre que les enseignants n’auront à enseigner. In fine, ce type d’activité, adaptable à tous les ordres d’enseignement, semble favorable à l’émergence de dispositifs de formation et d’accompagnement des enseignants en adéquation avec leurs compétences et besoins professionnels.

Hygiène des denrées alimentaires d'origine animale - Synthèse II : Vers une assurance qualité intégrée de la chaîne agro-alimentaire.

OpenAIRE

Vindevogel, Henri; Daube, Georges; Hans, J. C.; Denys, J.; Korsak Koulagenko, Nicolas; Ghafir, Y.

1996-01-01

Suite à une première synthèse décrivant les exigences des normes européennes de l’hygiène dans les industries agro-alimentaires, ce second article fait le point sur la mise en application de ces normes et surtout sur le rôle du médecin vétérinaire dans ce domaine. La médecine vétérinaire désire une approche intégrée de l’assurance qualité de toute la filière de la chaîne alimentaire (Longitudinal Integrated Safety Assurance, LISA). Les médecins vétérinaires sont et doivent être à la base de l...

A Shock Tube Study of the CO + OH Reaction Near the Low-Pressure Limit

KAUST Repository

Nasir, Ehson Fawad; Farooq, Aamir

2016-01-01

Rate coefficients for the reaction between carbon monoxide and hydroxyl radical were measured behind reflected shock waves over 700 – 1230 K and 1.2 – 9.8 bar. The temperature/pressure conditions correspond to the predicted low-pressure limit of this reaction, where the channel leading to carbon dioxide formation is dominant. The reaction rate coefficients were inferred by measuring the formation of carbon dioxide using quantum cascade laser absorption near 4.2 µm. Experiments were performed under pseudo-first order conditions with tert-butyl hydroperoxide (TBHP) as the OH precursor. Using ultraviolet laser absorption by OH radicals, the TBHP decomposition rate was measured to quantify potential facility effects under extremely dilute conditions used here. The measured CO + OH rate coefficients are provided in Arrhenius form for three different pressure ranges: kCO+OH (1.2 – 1.6 bar) = 9.14 x 10-13 exp(-1265/T) cm3 molecule-1 s-1 kCO+OH (4.3 – 5.1 bar) = 8.70 x 10-13 exp(-1156/T) cm3 molecule-1 s-1 kCO+OH (9.6 – 9.8 bar) = 7.48 x 10-13 exp(-929/T) cm3 molecule-1 s-1 The measured rate coefficients are found to be lower than the master equation modeling results by Weston et al. [J. Phys. Chem. A, 117 (2013) 821] at 819 K and in closer agreement with the expression provided by Joshi and Wang [Int. J. Chem. Kinet., 38 (2006) 57].

A Shock Tube Study of the CO + OH Reaction Near the Low-Pressure Limit

KAUST Repository

Nasir, Ehson Fawad

2016-05-16

Rate coefficients for the reaction between carbon monoxide and hydroxyl radical were measured behind reflected shock waves over 700 – 1230 K and 1.2 – 9.8 bar. The temperature/pressure conditions correspond to the predicted low-pressure limit of this reaction, where the channel leading to carbon dioxide formation is dominant. The reaction rate coefficients were inferred by measuring the formation of carbon dioxide using quantum cascade laser absorption near 4.2 µm. Experiments were performed under pseudo-first order conditions with tert-butyl hydroperoxide (TBHP) as the OH precursor. Using ultraviolet laser absorption by OH radicals, the TBHP decomposition rate was measured to quantify potential facility effects under extremely dilute conditions used here. The measured CO + OH rate coefficients are provided in Arrhenius form for three different pressure ranges: kCO+OH (1.2 – 1.6 bar) = 9.14 x 10-13 exp(-1265/T) cm3 molecule-1 s-1 kCO+OH (4.3 – 5.1 bar) = 8.70 x 10-13 exp(-1156/T) cm3 molecule-1 s-1 kCO+OH (9.6 – 9.8 bar) = 7.48 x 10-13 exp(-929/T) cm3 molecule-1 s-1 The measured rate coefficients are found to be lower than the master equation modeling results by Weston et al. [J. Phys. Chem. A, 117 (2013) 821] at 819 K and in closer agreement with the expression provided by Joshi and Wang [Int. J. Chem. Kinet., 38 (2006) 57].

On the analyticity of Laguerre series

International Nuclear Information System (INIS)

Weniger, Ernst Joachim

2008-01-01

sum the divergent series occurring in this context effectively. As a physical application of the results of this paper, the legitimacy of the rearrangement of certain one-range addition theorems for Slater-type functions (Guseinov 1980 Phy. Rev. A 22 369-71, Guseinov 2001 Int. J. Quantum Chem. 81 126-29, Guseinov 2002 Int. J. Quantum Chem. 90 114-8) is investigated

Simulated effect of timing and Pt quantity injected on On-line NobleChem application on total fuel liftoff

International Nuclear Information System (INIS)

Pop, M.G.; Riddle, J.M.; Lamanna, L.S.; Gregorich, C.; Hoornik, A.

2015-01-01

Total liftoff is a measure of fuel performance and a risk indicator for fuel reliability. Fuel operability and license limits are directly related to the expected total lifetime liftoff. AREVA's continued commitment to zero fuel failure is expressed, among other efforts, in the continued development and improvement of its fuel cladding corrosion and crud risk assessment tools. The AREVA models used to assess and predict crud deposition on BWR cores over their lifespan have been refined by the development and incorporation of the PEZOG tool in response to the move in the industry to the On-Line NobleChem TM (OLNC) technology. PEZOG models the platinum-enhanced zirconium oxide growth of fuel cladding when exposed to platinum during operation. Depending on the local chemistry and radiation condition, noble metals act as catalysts for many reactions, including but not limited to hydrogen oxidation and oxygen reduction. OLNC's intention is to catalyze the hydrogen and oxygen recombination reaction for core internals protection. However, research has indicated that noble metals catalyze the oxygen reduction under the chemistry and radiation conditions as experienced in the pores of crud deposits, and hence, can increase the corrosion rate of zirconium alloy cladding. The developed PEZOG module calculates the oxide thickness as a function of platinum injection strategy. The stratified nature of oxide and crud layers formed on fuel cladding surfaces is reflected in the calculations as are the different platinum interaction in each of the layers. This paper presents examples of the evaluation of various aspects of the platinum injection strategies and their influence on the oxide growth enhancement as applied to conditions of a U.S. plant. (authors)

Educación Mediática e InteRmetodología Relacional aplicada a los MOOC//Media Literacy and relational Inter-methodology implementation on MOOC

Directory of Open Access Journals (Sweden)

Elisa Hergueta-Covacho

2016-07-01

Full Text Available En el contexto actual de innovación tecnológica aparecen nuevas necesidades de aprendizaje y cobran particular relevancia los procesos pedagógicos. Los MOOC se posicionan como una alternativa educacional disruptiva y como puntos de encuentro educomunicativos abiertos a todos, a través de los cuales podemos acceder a esa inteligencia distribuida y accesible en la Red en la que formar redes relacionales externas e internas y tejer una construcción de conocimiento, a partir de nuevas ideas y de la inteligencia colectiva que se produce. Desde una perspectiva teórica, abordamos la acción educomunicativa inherente a los MOOC, partiendo de la necesidad de implementar una inteRmetodología, en la que el Factor Relacional sea determinante, que disponga de estrategias y prácticas para englobar a los discentes en sus diversas dimensiones, con el objetivo de construir conocimiento común en relación y conexión, desde una reflexión encaminada a la acción y participación, para llegar a una praxis holística.

Contributions of mobile, stationary and biogenic sources to air pollution in the Amazon rainforest: a numerical study with the WRF-Chem model

Science.gov (United States)

Abou Rafee, Sameh A.; Martins, Leila D.; Kawashima, Ana B.; Almeida, Daniela S.; Morais, Marcos V. B.; Souza, Rita V. A.; Oliveira, Maria B. L.; Souza, Rodrigo A. F.; Medeiros, Adan S. S.; Urbina, Viviana; Freitas, Edmilson D.; Martin, Scot T.; Martins, Jorge A.

2017-06-01

This paper evaluates the contributions of the emissions from mobile, stationary and biogenic sources on air pollution in the Amazon rainforest by using the Weather Research and Forecasting with Chemistry (WRF-Chem) model. The analyzed air pollutants were CO, NOx, SO2, O3, PM2. 5, PM10 and volatile organic compounds (VOCs). Five scenarios were defined in order to evaluate the emissions by biogenic, mobile and stationary sources, as well as a future scenario to assess the potential air quality impact of doubled anthropogenic emissions. The stationary sources explain the highest concentrations for all air pollutants evaluated, except for CO, for which the mobile sources are predominant. The anthropogenic sources considered resulted an increasing in the spatial peak-temporal average concentrations of pollutants in 3 to 2780 times in relation to those with only biogenic sources. The future scenario showed an increase in the range of 3 to 62 % in average concentrations and 45 to 109 % in peak concentrations depending on the pollutant. In addition, the spatial distributions of the scenarios has shown that the air pollution plume from the city of Manaus is predominantly transported west and southwest, and it can reach hundreds of kilometers in length.

Contributions of mobile, stationary and biogenic sources to air pollution in the Amazon rainforest: a numerical study with the WRF-Chem model

Directory of Open Access Journals (Sweden)

S. A. Abou Rafee

2017-06-01

Full Text Available This paper evaluates the contributions of the emissions from mobile, stationary and biogenic sources on air pollution in the Amazon rainforest by using the Weather Research and Forecasting with Chemistry (WRF-Chem model. The analyzed air pollutants were CO, NOx, SO2, O3, PM2. 5, PM10 and volatile organic compounds (VOCs. Five scenarios were defined in order to evaluate the emissions by biogenic, mobile and stationary sources, as well as a future scenario to assess the potential air quality impact of doubled anthropogenic emissions. The stationary sources explain the highest concentrations for all air pollutants evaluated, except for CO, for which the mobile sources are predominant. The anthropogenic sources considered resulted an increasing in the spatial peak-temporal average concentrations of pollutants in 3 to 2780 times in relation to those with only biogenic sources. The future scenario showed an increase in the range of 3 to 62 % in average concentrations and 45 to 109 % in peak concentrations depending on the pollutant. In addition, the spatial distributions of the scenarios has shown that the air pollution plume from the city of Manaus is predominantly transported west and southwest, and it can reach hundreds of kilometers in length.

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.

In vivo identical reversibility of rad-bio-chem lesions in blood, bone marrow, liver, endocrine system and on the whole body

International Nuclear Information System (INIS)

Stan, C.

2009-01-01

The fundamental scientific researches of a new patented pharmaceutical product STANOSIMAGNE, was initiated, directed and developed since 1995, as interdisciplinary challenge for in vivo decorporation on natural way of radio-toxic uranium (235U) and radionuclides, and the treatment of lesions induced by radiation injury, or heavy metals. The synergic effect - decorporation and reversibility - for in vivo identical reversibility of rad-bio-chem lesions in blood, bone marrow, liver, endocrine system, derma and vital organs verifies and sustains the scientific discovery. The safety and efficiency of clinical administration of the medicine STANOSIMAGNE capsules and ointment is based on the non-clinic (pre-clinic) practical pharmacological research on 635 standard laboratory animals regarding the absence of any kind of toxicity. The pharmacology researches have been carried out, along with medical, pharmaceutical and biochemical didactic specialists, coming from the Laboratories Departments of Pharmacology, Phytochemistry, Biochemistry, Chemistry and Pharmaceutical Technique of the University of Medicine and Pharmacy 'Carol Davila', Bucharest. The treatment of the persons exposed to irradiation or heavy metals contamination, in risk areas, and the continuation of the pilot clinical studies on several cases, that could not be solved by regular medical methods and treatments, are in accordance with the Directive 2001/20/CE, of the Parliament of the European Union, which implement the norms of good practice, in clinical studies.(author)

The Nonlinear Dynamical and Shock Mitigation Properties of Tapered Chains

Science.gov (United States)

2008-06-01

How fast does a spider shrivel up when placed in liquid NO2? Fast. And in regard to the infamous all-you-can- eat student farewell party, no one...no...one I say can eat 14 slices of meat and cheese lover’s pan pizza for lunch and keep it down. Thanks are extended to Pepsi for inventing Mountain Dew...1982), 977–981. 45. Hertz, H. ’́ Uber die beŕ’urung fester elastischer ḱ’orper (on the behavior of solid elastic bodies). J. Reine Angew. Math 92 (1882

Integrator complex plays an essential role in adipose differentiation

International Nuclear Information System (INIS)

Otani, Yuichiro; Nakatsu, Yusuke; Sakoda, Hideyuki; Fukushima, Toshiaki; Fujishiro, Midori; Kushiyama, Akifumi; Okubo, Hirofumi; Tsuchiya, Yoshihiro; Ohno, Haruya; Takahashi, Shin-Ichiro; Nishimura, Fusanori; Kamata, Hideaki; Katagiri, Hideki; Asano, Tomoichiro

2013-01-01

Highlights: •IntS6 and IntS11 are subunits of the Integrator complex. •Expression levels of IntS6 and IntS11 were very low in 3T3-L1 fibroblast. •IntS6 and IntS11 were upregulated during adipose differentiation. •Suppression of IntS6 or IntS11 expression inhibited adipose differentiation. -- Abstract: The dynamic process of adipose differentiation involves stepwise expressions of transcription factors and proteins specific to the mature fat cell phenotype. In this study, it was revealed that expression levels of IntS6 and IntS11, subunits of the Integrator complex, were increased in 3T3-L1 cells in the period when the cells reached confluence and differentiated into adipocytes, while being reduced to basal levels after the completion of differentiation. Suppression of IntS6 or IntS11 expression using siRNAs in 3T3-L1 preadipocytes markedly inhibited differentiation into mature adipocytes, based on morphological findings as well as mRNA analysis of adipocyte-specific genes such as Glut4, perilipin and Fabp4. Although Pparγ2 protein expression was suppressed in IntS6 or IntS11-siRNA treated cells, adenoviral forced expression of Pparγ2 failed to restore the capacity for differentiation into mature adipocytes. Taken together, these findings demonstrate that increased expression of Integrator complex subunits is an indispensable event in adipose differentiation. Although further study is necessary to elucidate the underlying mechanism, the processing of U1, U2 small nuclear RNAs may be involved in cell differentiation steps

Relatives appositives : entre intégration syntaxique et intégration discursive

Directory of Open Access Journals (Sweden)

Lytvynova Maryna

2014-07-01

Full Text Available L’objectif du présent travail est de mettre en lumière certaines propriétés discursives des relatives appositives du français et, par la même occasion, de participer au débat sur le statut dont elles jouissent au niveau du discours. Plus spécifiquement, en prenant comme point de départ la discussion antérieure (cf. Brandt, 1990 ; Combettes, 1992 ; Lambrecht, 1998 ; Holler, 2005 ; Loock, 2007 portant sur la distinction fonctionnelle entre les relatives narratives (1 et les relatives descriptives (2, nous suggérons que, contrairement à ce que postulent les travaux précédents, ni les premières, ni les secondes ne peuvent être assimilées à des unités autonomes du discours, l’hypothèse que nous étayons avec des données expérimentales

Sensitivity of CAM-Chem/DART MOPITT CO Assimilation Performance to the Choice of Ensemble System Configuration: A Case Study for Fires in the Amazon

Science.gov (United States)

Arellano, A. F., Jr.; Tang, W.

2017-12-01

Assimilating observational data of chemical constituents into a modeling system is a powerful approach in assessing changes in atmospheric composition and estimating associated emissions. However, the results of such chemical data assimilation (DA) experiments are largely subject to various key factors such as: a) a priori information, b) error specification and representation, and c) structural biases in the modeling system. Here we investigate the sensitivity of an ensemble-based data assimilation state and emission estimates to these key factors. We focus on investigating the assimilation performance of the Community Earth System Model (CESM)/CAM-Chem with the Data Assimilation Research Testbed (DART) in representing biomass burning plumes in the Amazonia during the 2008 fire season. We conduct the following ensemble DA MOPITT CO experiments: 1) use of monthly-average NCAR's FINN surface fire emissionss, 2) use of daily FINN surface fire emissions, 3) use of daily FINN emissions with climatological injection heights, and 4) use of perturbed FINN emission parameters to represent not only the uncertainties in combustion activity but also in combustion efficiency. We show key diagnostics of assimilation performance for these experiments and verify with available ground-based and aircraft-based measurements.

Space-filling Curves

Indian Academy of Sciences (India)

void hilbert(int r, int d, int t, int u, int i, int h, int &x, int &y). { if(i >0). { i- -; hilbert ( d,r, u,e ,i,h,x,y); move(r ,h,x,y); hilbert(r,d,t,u,i,h,x,y); move ( d,h,x,y); hilbert(r,d,e,u,i ...

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, ...

Chem Gems & Joules

Science.gov (United States)

Mason, Diana S.

2002-09-01

Learn about the chemistry (and some physics) of optical discs such as CDs, CD-ROMs, and DVDs from David Birkett (p 1081). Beginning on p 1088, Johnson and Yalkowsky present some neat models (commercial or build-yourself) that assemble of their own accord into appropriate structures for liquid and solid water. Do you need a low-cost, small-scale heating device? How about adapting a soldering iron as described on p 1109? If you are interested in cooperative learning, the comparison with lecturing that begins on p 1131 will provide useful information. The latest in our series commemorating the centenary of the Nobel Prizes begins on p 1055. The many interconnections among the research of prizewinners described in this series provides interesting tidbits to humanize chemical kinetics. Do you have hydrogen peroxide, sulfur, or potassium chromate in your lab or chemical storage area? Learn about hazards of these substances from the letter to the editor on p 1070 and the CLIPs on p 1063, p 1064, and p 1065. Finally, keep up with chemical education news at the ACS and the NSF by reading the statements of candidates for the ACS presidency (p 1036 and p 1037) and the commentary by Ellis on p 1034.

Benchmarking of AREVA BWR FDIC-PEZOG model against first BFE3 cycle 15 application of On-Line NobleChem results

International Nuclear Information System (INIS)

Pop, M.G.; Lamanna, L.S.; Hoornik, A.; Storey, G.C.; Lemons, J.F.

2015-01-01

The combination of AREVA's BWR FDIC-PEZOG tools allows the calculation of the total liftoff as a measure of fuel performance and a risk indicator for fuel reliability. The AREVA BWR FDIC tool is a crud modeling tool. The PEZOG tool models the platinum-enhanced zirconium oxide growth of fuel cladding when exposed to platinum during operation. Continuous effort to improve these tools used for the total liftoff calculations is illustrated by the benchmarking of the tools after the application of On-Line NobleChem TM at TVA Browns Ferry Unit 3 during Cycle 15. A set of runs using the modified FDIC-PEZOG model and actual plant water chemistry for Cycle 15 and partial data for Cycle 16 were performed. The updated results' deposit thickness and deposit composition predictions for EOC15 were compared to the measured data from EOC15 and are presented in this paper. The updated predicted deposit thickness matched the actual, measured value exactly. Predicted deposit composition near the fuel rod boundary, nearer to the bulk reactor water, and as an averaged deposit, as presented in the paper, compared extremely well with the measured data at EOC15. The updated AREVA methodology resulted in lower fuel oxide thickness predictions over the life of the fuel as compared to the initial evaluations for BFE3 by incorporating more recent experimental data on the thermal conductivity of zirconia; unnecessary conservatism in the prediction of the fuel oxide thickness over the life of the fuel was removed in the improved model. (authors)

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.

Carbon-steel corrosion in multiphase slug flow and CO2

International Nuclear Information System (INIS)

Villarreal, J.; Laverde, D.; Fuentes, C.

2006-01-01

Hydrocarbon multiphase flow may exhibit various geometric configurations or flow patterns. One of these flow patterns is known as multiphase slug flow. If CO 2 is present in hydrocarbons, the steel pipelines can be corroded as this process is probably enhanced by slug flow turbulence. A hydrodynamic circuit was built to study the CO 2 corrosion rates under different slug flow conditions. The experimental results show how the corrosion rate of a carbon-steel electrode varies according to the flow turbulence. The higher slug frequency used in this study was 80 slugs/min. Experimental results for pressure drop and slug length are in agreement with the Dukler and Hubbard [A model for gas-liquid slug flow in horizontal and near horizontal tubes, Ind. Eng. Chem. Fundam. 14 (1975) 337-347] multiphase flow model. Furthermore, the experimental slug frequencies are well correlated by the Shell and Gregory [Correlation of the liquid volume fraction in the slug for horizontal gas-liquid slug flow. Int. J. Multiphase Flow 4 (1978) 33-39] equations in horizontal pipes

Calculation of the dynamic first electronic hyperpolarizability β(−ω{sub σ}; ω{sub 1}, ω{sub 2}) of periodic systems. Theory, validation, and application to multi-layer MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Maschio, Lorenzo, E-mail: lorenzo.maschio@unito.it; Dovesi, Roberto [Dipartimento di Chimica and NIS (Nanostructured Interfaces and Surfaces) Centre, Università di Torino, via Giuria 5, I-10125 Torino (Italy); Rérat, Michel [Equipe de Chimie Physique, IPREM UMR5254, Université de Pau et des Pays de l’Adour, 64000 Pau (France); Kirtman, Bernard [Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106 (United States)

2015-12-28

We describe our implementation of a fully analytical scheme, based on the 2n + 1 rule, for computing the coupled perturbed Hartree Fock and Kohn-Sham dynamic first hyperpolarizability tensor β(−ω{sub σ}; ω{sub 1}, ω{sub 2}) of periodic 1D (polymer), 2D (slab), and 3D (crystal) systems in the CRYSTAL code [R. Dovesi et al., Int. J. Quantum Chem. 114, 1287 (2014)], which utilizes local Gaussian type basis sets. The dc-Pockels (dc-P) and second harmonic generation (SHG) tensors are included as special cases. It is verified that (i) symmetry requirements are satisfied; (ii) using LiF as an example, the infinite periodic polymer result agrees with extrapolated finite oligomer calculations and, likewise, for the build-up to a 2D slab and a 3D crystal; (iii) the values converge to the static case for low frequencies; and (iv) the Bishop-deKee dispersion formulas relating dc-P, SHG, and general processes are reproduced through quartic terms. Preliminary SHG calculations on multi-layer MoS{sub 2} satisfactorily reproduce experimental data.

Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

International Nuclear Information System (INIS)

Theophilou, Iris; Tassi, M.; Thanos, S.

2014-01-01

Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations

Simulation of Mexico City plumes during the MIRAGE-Mex field campaign using the WRF-Chem model

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X. Tie

2009-07-01

Full Text Available The quantification of tropospheric O₃ production in the downwind of the Mexico City plume is a major objective of the MIRAGE-Mex field campaign. We used a regional chemistry-transport model (WRF-Chem to predict the distribution of O₃ and its precursors in Mexico City and the surrounding region during March 2006, and compared the model with in-situ aircraft measurements of O₃, CO, VOCs, NO_x, and NO_y concentrations. The comparison shows that the model is capable of capturing the timing and location of the measured city plumes, and the calculated variability along the flights is generally consistent with the measured results, showing a rapid increase in O₃ and its precursors when city plumes are detected. However, there are some notable differences between the calculated and measured values, suggesting that, during transport from the surface of the city to the outflow plume, ozone mixing ratios are underestimated by about 0–25% during different flights. The calculated O₃-NO_x, O₃-CO, and O₃-NO_z correlations generally agree with the measured values, and the analyses of these correlations suggest that photochemical O₃ production continues in the plume downwind of the city (aged plume, adding to the O₃ already produced in the city and exported with the plume. The model is also used to quantify the contributions to OH reactivity from various compounds in the aged plume. This analysis suggests that oxygenated organics (OVOCs have the highest OH reactivity and play important roles for the O₃ production in the aging plume. Furthermore, O₃ production per NO_x molecule consumed (O₃ production efficiency is more efficient in the aged plume than in the young plume near the city. The major contributor to the high O₃ production efficiency in the aged plume is the

A percepção de universitários sobre a atuação do intérprete de libras no ensino superior

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Jessica Roberta da Silva Corrêa

2017-08-01

Full Text Available O trabalho tem por objetivo analisar a percepção de estudantes surdos e ouvintes sobre a atuação do intérprete de Libras, no contexto universitário. A sua presença e atuação profissional, nessa etapa de ensino, têm sido consideradas um fato recente que, dentre outros aspectos, busca amenizar os obstáculos de comunicação e aprendizagem encontradas por estudantes surdos em processo de formação universitária. Participaram do estudo nove acadêmicos do curso de Arquivologia, sendo um deles surdo, de uma Universidade Pública, localizada no interior do Estado de São Paulo. Os dados foram coletados por intermédio de entrevistas focais, cujas seções de coleta foram registradas por vídeos gravações e, posteriormente, analisadas a partir da técnica de “associação de ideias”. Os universitários foram capazes de reconhecer a importância da presença desse profissional, na formação acadêmica do graduando surdo, reforçando a necessidade de medidas institucionais que apoiem a oferta, sem restrição, para efetivação da sua contratação no contexto universitário.

Contributions of foreign, domestic and natural emissions to US ozone estimated using the path-integral method in CAMx nested within GEOS-Chem

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A. M. Dunker

2017-10-01

Full Text Available The Goddard Earth Observing System global chemical transport (GEOS-Chem model was used at 2°  ×  2.5° resolution to simulate ozone formation for a base case representing year 2010 and a natural background case without worldwide anthropogenic emissions. These simulations provided boundary concentrations for base and natural background simulations with the Comprehensive Air Quality Model with Extensions (CAMx on a North American domain (one-way nested at 12 km  ×  12 km resolution over March–September 2010. The predicted maximum daily average 8 h (MDA8 background ozone for the US is largest in the mountainous areas of Colorado, New Mexico, Arizona, and California. The background MDA8 ozone in some of these locations exceeds 60 ppb, when averaged over the 10 days with the largest base-case ozone (T10base average. The background ozone generally becomes both a larger fraction of the base-case ozone in the western US and a smaller fraction in the eastern US when proceeding from spring to summer to the T10base average. The ozone difference between the base and background cases represents the increment to ozone from all anthropogenic sources. The path-integral method was applied to allocate this anthropogenic ozone increment to US anthropogenic emissions, Canadian/Mexican anthropogenic emissions, and the anthropogenic components of the lateral and top boundary concentrations (BCs. Using the T10base average MDA8 ozone, the relative importance of the sources is generally US emissions  >  anthropogenic lateral BCs  >  Canadian/Mexican emissions  ≫  anthropogenic top BCs. Specifically, for 10 US urban areas, the source contributions were 12–53 ppb for US emissions, 3–9 ppb for lateral BCs, 0.2–3 ppb for Canadian/Mexican emissions, and  ≤  0.1 ppb for top BCs. The contributions of the lateral BCs are largest for the higher-elevation US sites in the Intermountain West and along the

Application of WRF/Chem-MADRID and WRF/Polyphemus in Europe - Part 1: Model description, evaluation of meteorological predictions, and aerosol-meteorology interactions

Science.gov (United States)

Zhang, Y.; Sartelet, K.; Wu, S.-Y.; Seigneur, C.

2013-07-01

Comprehensive model evaluation and comparison of two 3-D air quality modeling systems (i.e., the Weather Research and Forecast model (WRF)/Polyphemus and WRF with chemistry and the Model of Aerosol Dynamics, Reaction, Ionization, and Dissolution (MADRID) (WRF/Chem-MADRID)) are conducted over Western Europe. Part 1 describes the background information for the model comparison and simulation design, the application of WRF for January and July 2001 over triple-nested domains in Western Europe at three horizontal grid resolutions: 0.5°, 0.125°, and 0.025°, and the effect of aerosol/meteorology interactions on meteorological predictions. Nine simulated meteorological variables (i.e., downward shortwave and longwave radiation fluxes (SWDOWN and LWDOWN), outgoing longwave radiation flux (OLR), temperature at 2 m (T2), specific humidity at 2 m (Q2), relative humidity at 2 m (RH2), wind speed at 10 m (WS10), wind direction at 10 m (WD10), and precipitation (Precip)) are evaluated using available observations in terms of spatial distribution, domainwide daily and site-specific hourly variations, and domainwide performance statistics. The vertical profiles of temperature, dew points, and wind speed/direction are also evaluated using sounding data. WRF demonstrates its capability in capturing diurnal/seasonal variations and spatial gradients and vertical profiles of major meteorological variables. While the domainwide performance of LWDOWN, OLR, T2, Q2, and RH2 at all three grid resolutions is satisfactory overall, large positive or negative biases occur in SWDOWN, WS10, and Precip even at 0.125° or 0.025° in both months and in WD10 in January. In addition, discrepancies between simulations and observations exist in T2, Q2, WS10, and Precip at mountain/high altitude sites and large urban center sites in both months, in particular, during snow events or thunderstorms. These results indicate the model's difficulty in capturing meteorological variables in complex terrain and

Intégration des CLOM dans une université à distance – Retour d’expérimentation à la TÉLUQ

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Gilbert Paquette

2016-01-01

Full Text Available Dans une université à distance comme la Télé-université (TÉLUQ, pratiquant la formation à distance depuis plus de 40 ans et offrant la formation en ligne depuis une vingtaine d’années, l’intégration de cours en ligne ouverts et massifs (CLOM; MOOC en anglais se posait dans un contexte très différent de celui d’une université offrant principalement des cours en présence. Pour clarifier les enjeux, un projet pilote a été réalisé à la TÉLUQ à la fin de 2014 dans lequel deux cours ont été produits et diffusés à l’international en mode CLOM. Les objectifs de ce projet consistaient à évaluer les possibilités offertes par les approches pédagogiques réalisées dans les CLOM par rapport à celles en usage en formation à distances (FAD à la TÉLUQ; à établir un processus d’adaptation des cours en ligne pour une diffusion massive; à élaborer une stratégie de communication et de recrutement international pour ces cours et finalement à définir un modèle de diffusion cible pour les CLOM en prenant en compte les caractéristiques d’une université à distance comme la TÉ- LUQ. Cet article présente un retour d’expérience de ce projet pilote, ainsi qu’une synthèse du modèle de diffusion en mode CLOM qui en a résulté.

Intérêt nutritionnel des huiles de tournesols : tournesol linoléique et tournesol à haute teneur en oléique

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Delplanque Bernadette

2000-11-01

Full Text Available Depuis les années 60 le tournesol traditionnel représentait le chef de file des « huiles poly-insaturées ». Depuis l’apparition des premières variétés riches en acide oléique (18:1, les sélections naturelles ou traditionnelles de variétés nouvelles de tournesol oléique ont trouvé leur place et leur justification sur le plan nutritionnel, par la qualité diversifiée de leurs acides gras, mais aussi par la préservation des qualités de l’insaponifiable (riche en vitamine E et en phytostérols. Une complémentarité entre les tournesols linoléique et oléique pourrait être tout à fait intéressante par l’utilisation d’huiles combinées, en vue d’un équilibre diététique mono/poly-insaturé dont l’effet serait d’assurer l’expression optimale des paramètres de protection vis-à-vis de l’athérothrombose à l’origine des maladies cardiovasculaires. Le développement du « tournesol-mid-oléique » (mid-range-oleic pourrait également apporter une source d’oléique et de linoléique naturellement plus équilibrée. Cependant, il restera à satisfaire les besoins en alpha-linolénique (importance de la balance n-6/n-3 qui pourraient être apportés par le colza.

WRF-Chem simulated surface ozone over south Asia during the pre-monsoon: effects of emission inventories and chemical mechanisms

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A. Sharma

2017-12-01

Full Text Available We evaluate numerical simulations of surface ozone mixing ratios over the south Asian region during the pre-monsoon season, employing three different emission inventories in the Weather Research and Forecasting model with Chemistry (WRF-Chem with the second-generation Regional Acid Deposition Model (RADM2 chemical mechanism: the Emissions Database for Global Atmospheric Research – Hemispheric Transport of Air Pollution (EDGAR-HTAP, the Intercontinental Chemical Transport Experiment phase B (INTEX-B and the Southeast Asia Composition, Cloud, Climate Coupling Regional Study (SEAC4RS. Evaluation of diurnal variability in modelled ozone compared to observational data from 15 monitoring stations across south Asia shows the model ability to reproduce the clean, rural and polluted urban conditions over this region. In contrast to the diurnal average, the modelled ozone mixing ratios during noontime, i.e. hours of intense photochemistry (11:30–16:30 IST – Indian Standard Time – UTC +5:30, are found to differ among the three inventories. This suggests that evaluations of the modelled ozone limited to 24 h average are insufficient to assess uncertainties associated with ozone buildup. HTAP generally shows 10–30 ppbv higher noontime ozone mixing ratios than SEAC4RS and INTEX-B, especially over the north-west Indo-Gangetic Plain (IGP, central India and southern India. The HTAP simulation repeated with the alternative Model for Ozone and Related Chemical Tracers (MOZART chemical mechanism showed even more strongly enhanced surface ozone mixing ratios due to vertical mixing of enhanced ozone that has been produced aloft. Our study indicates the need to also evaluate the O3 precursors across a network of stations and the development of high-resolution regional inventories for the anthropogenic emissions over south Asia accounting for year-to-year changes to further reduce uncertainties in modelled ozone over this region.

WRF-Chem simulated surface ozone over south Asia during the pre-monsoon: effects of emission inventories and chemical mechanisms

Science.gov (United States)

Sharma, Amit; Ojha, Narendra; Pozzer, Andrea; Mar, Kathleen A.; Beig, Gufran; Lelieveld, Jos; Gunthe, Sachin S.

2017-12-01

We evaluate numerical simulations of surface ozone mixing ratios over the south Asian region during the pre-monsoon season, employing three different emission inventories in the Weather Research and Forecasting model with Chemistry (WRF-Chem) with the second-generation Regional Acid Deposition Model (RADM2) chemical mechanism: the Emissions Database for Global Atmospheric Research - Hemispheric Transport of Air Pollution (EDGAR-HTAP), the Intercontinental Chemical Transport Experiment phase B (INTEX-B) and the Southeast Asia Composition, Cloud, Climate Coupling Regional Study (SEAC4RS). Evaluation of diurnal variability in modelled ozone compared to observational data from 15 monitoring stations across south Asia shows the model ability to reproduce the clean, rural and polluted urban conditions over this region. In contrast to the diurnal average, the modelled ozone mixing ratios during noontime, i.e. hours of intense photochemistry (11:30-16:30 IST - Indian Standard Time - UTC +5:30), are found to differ among the three inventories. This suggests that evaluations of the modelled ozone limited to 24 h average are insufficient to assess uncertainties associated with ozone buildup. HTAP generally shows 10-30 ppbv higher noontime ozone mixing ratios than SEAC4RS and INTEX-B, especially over the north-west Indo-Gangetic Plain (IGP), central India and southern India. The HTAP simulation repeated with the alternative Model for Ozone and Related Chemical Tracers (MOZART) chemical mechanism showed even more strongly enhanced surface ozone mixing ratios due to vertical mixing of enhanced ozone that has been produced aloft. Our study indicates the need to also evaluate the O3 precursors across a network of stations and the development of high-resolution regional inventories for the anthropogenic emissions over south Asia accounting for year-to-year changes to further reduce uncertainties in modelled ozone over this region.

El intérprete: tema y variaciones. Una concepción formativa en construcción desde el proyecto “hacia un modelo alternativo para la educación musical de jóvenes y adultos a nivel superior”

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Ligia Ivette Asprilla

2003-04-01

Full Text Available La complejidad, diversidad y riqueza del campo musical que evade respuestas absolutas invita, al mismo tiempo, a la actividad reflexiva, imaginativa y creadora. Elpresente artículo intenta desarrollar la concepción de educación musical que se gesta desde el proyecto de investigación que actualmente se adelanta en la Facultad de Estudios Musicales de la Universidad Central. Aunque el Proyecto estudia la pedagogía de las áreas teórico-musical e instrumental, este texto, organizado como una composición de Tema y variaciones, como su título lo sugiere, utiliza al intérprete como fuente de inspiración.

Impactos da implantação de um Sistema de Gestão da Qualidade Baseado em Norma ISO na Cultura de Laboratório no Instituto Nacional de Tecnologia – INT

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Nilço Mauro da Silva Moura

2012-04-01

Full Text Available This article describes the effects of implementation of ISO IEC ABNT NBR ISO/IEC 17025in the culture laboratory of the National Institute of Technology and examines how thisinfluences their deployment management model. As analytical model, we used the BrazilianCultural Action Model formulated by Barros and Prates (1996. The model reflected all itscomplexity in the four defined positions: concentration of power; position of spectator;personalist; avoid conflict. The main focus of the study was the influence of organizationculture in favor or prejudice to the implementation and maintenance of the Standard, as wellas their consequences in the final results; the field research confirmed the importance ofrelations between the manager and senior management and between the manager and his teamin this effort. We used descriptive study with qualitative approach and strategy case study,using interviews and direct observations. The study subjects were professionals responsiblefor laboratories in INT, with more than ten years of experience in managing laboratories andparticipating in the implementation of ISO 17025.

Application of WRF/Chem-MADRID and WRF/Polyphemus in Europe – Part 1: Model description, evaluation of meteorological predictions, and aerosol–meteorology interactions

Directory of Open Access Journals (Sweden)

Y. Zhang

2013-07-01

Full Text Available Comprehensive model evaluation and comparison of two 3-D air quality modeling systems (i.e., the Weather Research and Forecast model (WRF/Polyphemus and WRF with chemistry and the Model of Aerosol Dynamics, Reaction, Ionization, and Dissolution (MADRID (WRF/Chem-MADRID are conducted over Western Europe. Part 1 describes the background information for the model comparison and simulation design, the application of WRF for January and July 2001 over triple-nested domains in Western Europe at three horizontal grid resolutions: 0.5°, 0.125°, and 0.025°, and the effect of aerosol/meteorology interactions on meteorological predictions. Nine simulated meteorological variables (i.e., downward shortwave and longwave radiation fluxes (SWDOWN and LWDOWN, outgoing longwave radiation flux (OLR, temperature at 2 m (T2, specific humidity at 2 m (Q2, relative humidity at 2 m (RH2, wind speed at 10 m (WS10, wind direction at 10 m (WD10, and precipitation (Precip are evaluated using available observations in terms of spatial distribution, domainwide daily and site-specific hourly variations, and domainwide performance statistics. The vertical profiles of temperature, dew points, and wind speed/direction are also evaluated using sounding data. WRF demonstrates its capability in capturing diurnal/seasonal variations and spatial gradients and vertical profiles of major meteorological variables. While the domainwide performance of LWDOWN, OLR, T2, Q2, and RH2 at all three grid resolutions is satisfactory overall, large positive or negative biases occur in SWDOWN, WS10, and Precip even at 0.125° or 0.025° in both months and in WD10 in January. In addition, discrepancies between simulations and observations exist in T2, Q2, WS10, and Precip at mountain/high altitude sites and large urban center sites in both months, in particular, during snow events or thunderstorms. These results indicate the model's difficulty in capturing meteorological variables in complex

Intégration verticale et niveau du risque au sein des compagnies pétrolières internationales. Impact sur la volatilité des bénéfices de 15 compagnies entre 1980 et 1989 Vertical Integration and Risk Level in International Oil Companies

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Perruchet D.

2006-11-01

Full Text Available On regroupe couramment les diverses activités pétrolières en deux ensembles que l'on dit complémentaires : l'amont et l'aval. On emploie alors le terme d'intégration verticale pour exprimer le fait qu'une même compagnie soit présente tant à l'amont qu'à l'aval. L'intégration verticale est étudiée ici sur la période 1980-1989 à travers quinze compagnies pétrolières : six Majors et neuf Indépendants. Les volumes d'activité des deux secteurs considérés présentent des évolutions contrastées selon les compagnies et les années. En effet, la recherche d'une intégration verticale plus complète - c'est-à-dire d'une plus grande présence en amont - peut découler de deux logiques différentes. D'un point de vue industriel, si l'amont constitue souvent le fondement de l'activité des compagnies, il existe de plus des facteurs de sécurité d'approvisionnement, d'économie de transaction et d'économie d'échelle. D'un point de vue économique, dans la mesure où les ventes du secteur amont sont les fournitures du secteur aval, c'est l'antisymétrie des résultats des deux secteurs qui est un atout. Il s'agit donc d'analyser les liens entre l'intégration verticale et la stabilité des bénéfices. Sur la période considérée, et pour l'ensemble des compagnies, le coefficient de corrélation entre les bénéfices amont et les bénéfices aval est négatif. L'étude, compagnie par compagnie, montre que plus les compagnies sont intégrées verticalement et plus leurs résultats sont anticorrélés. De même, l'étude des répercussions sur la volatilité des bénéfices est concluante. On constate que la volatilité du bénéfice global (amont et aval est pour chaque compagnie inférieure à celles des bénéfices sectoriels. Des estimations économétriques confirment ces observations. Les Majors se caractérisent par des volatilités faibles, tandis que d'autres compagnies, à forts risques sectoriels, limitent la volatilité de

Intérêt des collectivités pour l'implantation d'arbres nourriciers dans les parcs urbains : le cas de Villa El Salvador, au Pérou

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Lafontaine, M.

2017-01-01

Full Text Available Intérêt des collectivités pour l'implantation d'arbres nourriciers dans les parcs urbains : le cas de Villa El Salvador, au Pérou. A study was conducted in Villa El Salvador, Peru, in order to evaluate the interest of local community members in establishing food trees within neighbourhood public green areas. Focus groups and semi-directed interviews conducted with the community actors allowed to identify their perceptions regarding the role these trees could play, the most appropriate management methods for their establishment and maintenance, as well as the best ways of allocating their products. SWOT ( Strength - Weaknesses – Opportunities- Threats and AHP (Analytical Hierarchisation Process analyses permitted to identify the most important favourable and restrictive factors affecting the long-term success of this production strategy. Results show that the possibility of harvesting edible products for family consumption, neighbourhood food aid programs or sale would motivate the inhabitants to contribute to the activities related to the establishment and maintenance of food trees. However, in order to be successful, the implementation of food trees within public green areas has to be in line with neighbourhood policies developed by the local population and to carefully anticipate possible sources of conflicts.

A WRF/Chem sensitivity study using ensemble modelling for a high ozone episode in Slovenia and the Northern Adriatic area

Science.gov (United States)

Žabkar, Rahela; Koračin, Darko; Rakovec, Jože

2013-10-01

A high ozone (O3) concentrations episode during a heat wave event in the Northeastern Mediterranean was investigated using the WRF/Chem model. To understand the major model uncertainties and errors as well as the impacts of model inputs on the model accuracy, an ensemble modelling experiment was conducted. The 51-member ensemble was designed by varying model physics parameterization options (PBL schemes with different surface layer and land-surface modules, and radiation schemes); chemical initial and boundary conditions; anthropogenic and biogenic emission inputs; and model domain setup and resolution. The main impacts of the geographical and emission characteristics of three distinct regions (suburban Mediterranean, continental urban, and continental rural) on the model accuracy and O3 predictions were investigated. In spite of the large ensemble set size, the model generally failed to simulate the extremes; however, as expected from probabilistic forecasting the ensemble spread improved results with respect to extremes compared to the reference run. Noticeable model nighttime overestimations at the Mediterranean and some urban and rural sites can be explained by too strong simulated winds, which reduce the impact of dry deposition and O3 titration in the near surface layers during the nighttime. Another possible explanation could be inaccuracies in the chemical mechanisms, which are suggested also by model insensitivity to variations in the nitrogen oxides (NOx) and volatile organic compounds (VOC) emissions. Major impact factors for underestimations of the daytime O3 maxima at the Mediterranean and some rural sites include overestimation of the PBL depths, a lack of information on forest fires, too strong surface winds, and also possible inaccuracies in biogenic emissions. This numerical experiment with the ensemble runs also provided guidance on an optimum model setup and input data.

On the comparison of numerical methods for the integration of kinetic equations in atmospheric chemistry and transport models

Science.gov (United States)

Saylor, Rick D.; Ford, Gregory D.

The integration of systems of ordinary differential equations (ODEs) that arise in atmospheric photochemistry is of significant concern to tropospheric and stratospheric chemistry modelers. As a consequence of the stiff nature of these ODE systems, their solution requires a large fraction of the total computational effort in three-dimensional chemical model simulations. Several integration techniques have been proposed and utilized over the years in an attempt to provide computationally efficient, yet accurate, solutions to chemical kinetics ODES. In this work, we present a comparison of some of these techniques and argue that valid comparisons of ODE solvers must take into account the trade-off between solution accuracy and computational efficiency. Misleading comparison results can be obtained by neglecting the fact that any ODE solution method can be made faster or slower by manipulation of the appropriate error tolerances or time steps. Comparisons among ODE solution techniques should therefore attempt to identify which technique can provide the most accurate solution with the least computational effort over the entire range of behavior of each technique. We present here a procedure by which ODE solver comparisons can achieve this goal. Using this methodology, we compare a variety of integration techniques, including methods proposed by Hesstvedt et al. (1978, Int. J. Chem. Kinet.10, 971-994), Gong and Cho (1993, Atmospheric Environment27A, 2147-2160), Young and Boris (1977, J. phys. Chem.81, 2424-2427) and Hindmarsh (1983, In Scientific Computing (edited by Stepleman R. S. et al.), pp. 55-64. North-Holland, Amsterdam). We find that Gear-type solvers such as the Livermore Solver for ordinary differential equations (LSODE) and the sparse-matrix version of LSODE (LSODES) provide the most accurate solution of our test problems with the least computational effort.

Multivariable Control Law Design for the AFTI/F-16 with a Failed Control Surface Using a Parameter-Adaptive Controller.

Science.gov (United States)

1987-12-01

From Name Location I To 11 From I Name Location To -------------- ------------------------ 1) ExternallInputl Ii I BMAT 2 ( 1) I I...1) B AT 2 1 1l lST INT 4 (1) (2) BMAT 2 I21 2IST INT 4 (2) (3) BMAT 2 I31 3 ST INT 4 (3) (4) BMAT 2 I41 4IST INT 4 (4) (5) BMAT 2...I51 5IST INT 4 (5) (6) B MT 2 I 61 6IST INT 4 (6) (7) BMAT 2 I71 7IST INT 4 (7) (8) BMAT 2 I81 8IST INT 4 (8) E- 10 ’Nlg v-. IN (1) AMAT 5 1 (2) AMAT 5

Assessing the Impact of Climate Change on Land-Water-Ecosystem Quality in Polar and Mountainous Regions: A New Interregional Project (INT5153)

Energy Technology Data Exchange (ETDEWEB)

Dercon, Gerd [Soil and Water Management and Crop Nutrition Subprogramme, Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture, IAEA, Seibersdorf (Austria); Gerardo-Abaya, Jane [Division for Asia and the Pacific Section 2, Department of Technical Cooperation, IAEA, Vienna (Austria); Mavlyudov, Bulat [Institute of Geography, Russian Academy of Sciences, Moscow (Russian Federation); others, and

2014-07-15

The INT5153 project aims to improve the understanding of the impact of climate change on fragile polar and mountainous ecosystems on both a local and global scale for their better management and conservation. Seven core and five related benchmark sites have been selected from different global regions for specific assessments of the impact of climate change with the following expected outcomes and outputs: Outcomes: • Improved understanding of the impact of climate change on the cryosphere in polar and mountainous ecosystems and its effects on landwater- ecosystem quality at both local and global scales. • Recommendations for improvement of regional policies for soil and agricultural water management, conservation, and environmental protection in polar and mountainous regions. Outputs: • Specific strategies to minimize the adverse effects of, and adapt to, reduced seasonal snow and glacier covered areas on land-water-ecosystem quality in polar and mountain regions across the world. • Enhanced interregional network of laboratories and institutions competent in the assessment of climate change impacts on the cryosphere and land-water-ecosystem quality, using isotopic and nuclear techniques. • Increased number of young scientists trained in the use of isotope and nuclear techniques to assess the impact of climate change on the cryosphere and land-water-ecosystem quality in polar and mountainous ecosystems. • Platform/database with global access for continuing work and monitoring of impact of climate change on fragile polar and mountainous ecosystems at local and global scales, as well as for communicating findings to policy makers and communities. • Improved understanding of the effects of climate change disseminated through appropriate publications, policy briefs, and through a dedicated internet platform. • Methodologies and protocols for investigations in specific ecosystems and conservation/adaptation measures for agriculture areas.

Assessing the Impact of Climate Change on Land-Water-Ecosystem Quality in Polar and Mountainous Regions: A New Interregional Project (INT5153)

International Nuclear Information System (INIS)

Dercon, Gerd; Gerardo-Abaya, Jane; Mavlyudov, Bulat

2014-01-01

The INT5153 project aims to improve the understanding of the impact of climate change on fragile polar and mountainous ecosystems on both a local and global scale for their better management and conservation. Seven core and five related benchmark sites have been selected from different global regions for specific assessments of the impact of climate change with the following expected outcomes and outputs: Outcomes: • Improved understanding of the impact of climate change on the cryosphere in polar and mountainous ecosystems and its effects on landwater- ecosystem quality at both local and global scales. • Recommendations for improvement of regional policies for soil and agricultural water management, conservation, and environmental protection in polar and mountainous regions. Outputs: • Specific strategies to minimize the adverse effects of, and adapt to, reduced seasonal snow and glacier covered areas on land-water-ecosystem quality in polar and mountain regions across the world. • Enhanced interregional network of laboratories and institutions competent in the assessment of climate change impacts on the cryosphere and land-water-ecosystem quality, using isotopic and nuclear techniques. • Increased number of young scientists trained in the use of isotope and nuclear techniques to assess the impact of climate change on the cryosphere and land-water-ecosystem quality in polar and mountainous ecosystems. • Platform/database with global access for continuing work and monitoring of impact of climate change on fragile polar and mountainous ecosystems at local and global scales, as well as for communicating findings to policy makers and communities. • Improved understanding of the effects of climate change disseminated through appropriate publications, policy briefs, and through a dedicated internet platform. • Methodologies and protocols for investigations in specific ecosystems and conservation/adaptation measures for agriculture areas

Ärma talu iseteadlik perenaine Evelin Int-Lambot / Evelin Int-Lambot ; interv. Riina Luik

Index Scriptorium Estoniae

Int-Lambot, Evelin, 1968-

2004-01-01

Eesti tipp-poliitiku Toomas Hendrik Ilvese abikaasa, paljude arvamuslugude autor räägib oma elust metsatalus, lapse kasvatamisest, poliitikast, elu väärtushinnangutest. Kommenteerivad: Rain Pikand, Ando Kiviberg