14 CFR 1214.1101 - Announcement.

Science.gov (United States)

2010-01-01

... Recruitment and Selection Program § 1214.1101 Announcement. (a) Astronaut candidate opportunities Will be... continuing pool of applicants. The military services will convene their internal selection boards and provide...

30 CFR 75.1101-21 - Back-up water system.

Science.gov (United States)

2010-07-01

... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Back-up water system. 75.1101-21 Section 75.1101-21 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY... water system. One fire hose outlet together with a length of hose capable of extending to the belt drive...

pp 1101–111

Indian Academy of Sciences (India)

Administrator

Electronic Supplementary Material. Graphical abstract. Preparation and characterization of monosubstituted porphyrins immobilized on nanosilica by Ebrahim Ahmadi et al (pp 1101–1112). N-(3-triethoxysilylpropyl)-4-formyl benzamide (Aldehyde (1)), that bears a Si(OEt)3 group, was anchored to silica support by controlled ...

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.

30 CFR 75.1101-15 - Construction of dry powder chemical systems.

Science.gov (United States)

2010-07-01

... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Construction of dry powder chemical systems. 75.1101-15 Section 75.1101-15 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR...-15 Construction of dry powder chemical systems. (a) Each self-contained dry powder system shall be...

47 CFR 95.1101 - Scope.

Science.gov (United States)

2010-10-01

... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1101 Scope. This subpart sets out the regulations governing the operation of Wireless Medical Telemetry Devices in the 608-614 MHz, 1395-1400 MHz, and 1427-1432 MHz frequency bands. See § 95.630 regarding permissible frequencies. [75...

30 CFR 75.1101 - Deluge-type water sprays, foam generators; main and secondary belt-conveyor drives.

Science.gov (United States)

2010-07-01

... and secondary belt-conveyor drives. 75.1101 Section 75.1101 Mineral Resources MINE SAFETY AND HEALTH... Fire Protection § 75.1101 Deluge-type water sprays, foam generators; main and secondary belt-conveyor... be installed at main and secondary belt-conveyor drives. ...

28 CFR 5.1101 - Copies of the Report of the Attorney General.

Science.gov (United States)

2010-07-01

... Attorney General. Copies of the Report of the Attorney General to the Congress on the Administration of the... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Copies of the Report of the Attorney General. 5.1101 Section 5.1101 Judicial Administration DEPARTMENT OF JUSTICE ADMINISTRATION AND...

24 CFR 200.1101 - Cross-reference.

Science.gov (United States)

2010-04-01

... URBAN DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Social Security Numbers and Employer Identification Numbers; Applicants in Unassisted Programs § 200.1101 Cross-reference. The provisions in subpart B of part 5 of this title apply to Social Security Numbers and Employer Identification Numbers for...

33 CFR 127.1101 - Piping systems.

Science.gov (United States)

2010-07-01

...) WATERFRONT FACILITIES WATERFRONT FACILITIES HANDLING LIQUEFIED NATURAL GAS AND LIQUEFIED HAZARDOUS GAS Waterfront Facilities Handling Liquefied Hazardous Gas Design and Construction § 127.1101 Piping systems... pipeline on a pier or wharf must be located so that it is not exposed to physical damage from vehicular...

Generation of functional HLA-DR*1101 tetramers receptive for loading with pathogen or tumour derived synthetic peptides

Directory of Open Access Journals (Sweden)

Protti Maria

2005-12-01

Full Text Available Abstract Background MHC class I-peptide tetramers are currently utilised to characterize CD8+ T cell responses at single cell level. The generation and use of MHC class II tetramers to study antigen-specific CD4+ T cells appears less straightforward. Most MHC class II tetramers are produced with a homogeneously built-in peptide, reducing greatly their flexibility of use. We attempted the generation of "empty" functional HLA-DR*1101 tetramers, receptive for loading with synthetic peptides by incubation. No such reagent is in fact available for this HLA-DR allele, one of the most frequent in the Caucasian population. Results We compared soluble MHC class II-immunoglobulin fusion proteins (HLA-DR*1101-Ig with soluble MHC class II protein fused with an optimised Bir site for enzymatic biotynilation (HLA-DR*1101-Bir, both produced in insect cells. The molecules were multimerised by binding fluorochrome-protein A or fluorochrome-streptavidin, respectively. We find that HLA-DR*1101-Bir molecules are superior to the HLA-DR*1101-Ig ones both in biochemical and functional terms. HLA-DR*1101-Bir molecules can be pulsed with at least three different promiscuous peptide epitopes, derived from Tetanus Toxoid, influenza HA and the tumour associated antigen MAGE-3 respectively, to stain specific CD4+ T cells. Both staining temperature and activation state of CD4+ T cells are critical for the binding of peptide-pulsed HLA-DR*1101-Bir to the cognate TCR. Conclusion It is therefore possible to generate a soluble recombinant HLA-DR*1101 backbone that is receptive for loading with different peptides to stain specific CD4+ T cells. As shown for other HLA-DR alleles, we confirm that not all the strategies to produce soluble HLA-DR*1101 multimers are equivalent.

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...

48 CFR 1825.1101 - Acquisition of supplies.

Science.gov (United States)

2010-10-01

....225-8, Duty-Free Entry of Space Articles, in solicitations and contracts when the supplies that will... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Acquisition of supplies... ADMINISTRATION SOCIOECONOMIC PROGRAMS FOREIGN ACQUISITION Solicitation Provisions and Contract Clauses 1825.1101...

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,...

41 CFR 50-201.1101 - Minimum wages.

Science.gov (United States)

2010-07-01

... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Minimum wages. 50-201... Contracts PUBLIC CONTRACTS, DEPARTMENT OF LABOR 201-GENERAL REGULATIONS § 50-201.1101 Minimum wages. Determinations of prevailing minimum wages or changes therein will be published in the Federal Register by the...

40 CFR 180.1101 - Parasitic (parasitoid) and predatory insects; exemption from the requirement of a tolerance.

Science.gov (United States)

2010-07-01

... insects; exemption from the requirement of a tolerance. 180.1101 Section 180.1101 Protection of... predatory insects; exemption from the requirement of a tolerance. Parasitic (parasitoid) and predatory insects are exempted from the requirement of a tolerance for residues when they are used in accordance...

NCBI nr-aa BLAST: CBRC-MLUC-01-1101 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-MLUC-01-1101 ref|NP_001136139.1| feline leukemia virus subgroup A receptor [Su...s scrofa] gb|ACJ60911.1| feline leukemia virus subgroup A receptor [Sus scrofa] NP_001136139.1 0.0 89% ...

C1qTNF-related protein 1 improve insulin resistance by reducing phosphorylation of serine 1101 in insulin receptor substrate 1.

Science.gov (United States)

Xin, Yaping; Zhang, Dongming; Fu, Yanqin; Wang, Chongxian; Li, Qingju; Tian, Chenguang; Zhang, Suhe; Lyu, Xiaodong

2017-08-30

C1qTNF-related protein 1 (CTRP1) is independently associated with type 2 diabetes. However, the relationship between CTRP1 and insulin resistance is still not established. This study aimed to explore the role of CTRP1 under the situation of insulin resistance in adipose tissue. Plasma CTRP1 level was investigated in type 2 diabetic subjects (n = 35) and non-diabetic subjects (n = 35). The relationship between CTRP1 and phosphorylation of multi insulin receptor substrate 1 (IRS-1) serine (Ser) sites was further explored. Our data showed that Plasma CTRP1 was higher and negative correlation with insulin resistance in diabetic subjects (r = -0.283, p = 0.018). Glucose utilisation test revealed that the glucose utilisation rate of mature adipocytes was improved by CTRP1 in the presence of insulin. CTRP1 was not only related to IRS-1 protein, but also negatively correlated with IRS-1 Ser1101 phosphorylation (r = -0.398, p = 0.031). Furthermore, Phosphorylation levels of IRS-1 Ser1101 were significantly lower after incubation with 40 ng/mL CTRP1 in mature adipocytes than those with no intervention (p insulin resistance by reducing the phosphorylation of IRS-1 Ser1101, induced in the situation of insulin resistance as a feedback adipokine.

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

16 CFR 1101.26 - Circumstances when the Commission does not provide notice and opportunity to comment.

Science.gov (United States)

2010-01-01

... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Circumstances when the Commission does not provide notice and opportunity to comment. 1101.26 Section 1101.26 Commercial Practices CONSUMER PRODUCT... information is disclosed in testimony in response to an order of the court during litigation to which the...

Determinants of quality of life (QoL) and quality of university life (QuL) in Malaysian public university students

Science.gov (United States)

Haron, Halilah; Osman, Balkish Mohd; Maidinsah, Hamidah; Sari, Maznita Maksari @ Md; Zaki, Nurul Qusna Mohd

2015-02-01

Quality of life (QoL) refers to the degree of satisfaction, or the sense of well being, people experience in organizations including universities. The quality of life students experience in a university increases when they believe their needs are aligned with the goals of the university because they perceive that the university is responsive to their needs. Quality of University Life (QuL) refers to the students' ability to stabilize their life regarding social activities, academic performance, health and spiritual. A study was undertaken to investigate the accountability of Universiti Teknologi MARA (UiTM), Malaysia, in terms of teaching and learning. The objective of this paper is to identify and evaluate the determinants of QoL and QuL measurement models. Data from 788 students who responded to a set of questionnaire were collected from nine faculties. Factor analysis performed on the data resulted in six determinants for QuL; friendly, skills, satisfaction, interest, learning and feeling. Only two determinants, environment and quality represented QoL. Results indicated that the measures were highly reliable (in terms of internal consistency) based on Cronbach Alpha values ranging from 0.705 to 0.905 for QuL and 0.826 to 0.888 for QoL. Construct validity was supported by Average Variance Extraction values of more than 0.5 for QuL (0.481 - 0.724) and QoL. (0.503 and 0.519). The construct reliability (CR) values ranging between 0.623 to 0.882 for QuL and 0.731 to 0.815 for QoL suggested good reliability construct.

Mannitol production by heterofermentative Lactobacillus reuteri CRL 1101 and Lactobacillus fermentum CRL 573 in free and controlled pH batch fermentations.

Science.gov (United States)

Rodríguez, Cecilia; Rimaux, Tom; Fornaguera, María José; Vrancken, Gino; de Valdez, Graciela Font; De Vuyst, Luc; Mozzi, Fernanda

2012-03-01

Certain lactic acid bacteria, especially heterofermentative strains, are capable to produce mannitol under adequate culture conditions. In this study, mannitol production by Lactobacillus reuteri CRL 1101 and Lactobacillus fermentum CRL 573 in modified MRS medium containing a mixture of fructose and glucose in a 6.5:1.0 ratio was investigated during batch fermentations with free pH and constant pH 6.0 and 5.0. Mannitol production and yields were higher under constant pH conditions compared with fermentations with free pH, the increase being more pronounced in the case of the L. fermentum strain. Maximum mannitol production and yields from fructose for L. reuteri CRL 1101 (122 mM and 75.7 mol%, respectively) and L. fermentum CRL 573 (312 mM and 93.5 mol%, respectively) were found at pH 5.0. Interestingly, depending on the pH conditions, fructose was used only as an alternative external electron acceptor or as both electron acceptor and energy source in the case of the L. reuteri strain. In contrast, L. fermentum CRL 573 used fructose both as electron acceptor and carbon source simultaneously, independently of the pH value, which strongly affected mannitol production by this strain. Studies on the metabolism of these relevant mannitol-producing lactobacilli provide important knowledge to either produce mannitol to be used as food additive or to produce it in situ during fermented food production.

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.

Developing Design Criteria and Scale Up Methods for Water-Stable Metal-Organic Frameworks for Adsorption Applications

Science.gov (United States)

2014-09-08

Berthelot mixing rules were applied to calculate intermolecular van der Waals interactions between water and framework atoms. All transition state...Rodrigues, A. E. J. Chem. Eng. Data 2004, 49 (4), 1095-1101. (7) Franchi , R. S.; Harlick, P. J. E.; Sayari, A. Ind. Eng. Chem. Res. 2005, 44 (21), 8007

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.

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.

22 CFR 1101.5 - Security, confidentiality and protection of records.

Science.gov (United States)

2010-04-01

... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Security, confidentiality and protection of... Bureau of Standard's booklet “Computer Security Guidelines for Implementing the Privacy Act of 1974” (May... STATES AND MEXICO, UNITED STATES SECTION PRIVACY ACT OF 1974 § 1101.5 Security, confidentiality and...

A propósito de los orígenes de don Pedro, obispo de Osma (1101-1109

Directory of Open Access Journals (Sweden)

Juan Pablo Rubio Sadia

2007-01-01

Full Text Available La procedencia del obispo francés Pedro de Osma (1101-1109, el primero tras la restauración diocesana, ha sido objeto de muy diversas consideraciones. De hecho, aparece citado como oriundo de Bourges, pero también de Béziers, como monje cluniacense de Auch, pero al mismo tiempo de Aurillac y de Sahagún. En estas páginas vamos a valorar de forma crítica la base documental existente detrás de cada una de estas aserciones en vistas a esclarecer, en el mayor grado posible, cuál es el verdadero origen (la ciudad y el supuesto monasterio de profesión del santo patrono de la Iglesia oxomense y dónde se hallan los límites entre la creencia tradicional y el dato documentado.The origin of the French bishop Pedro de Osma (1101-1109, the first one after the diocesan restoration, has been the object of very diverse considerations. In fact, he appears mentioned as native of Bourges, but also of Béziers, as a Cluniac monk of Auch, and at the same time of Aurillac and Sahagún. In these pages we are going to assess in a critical way, the existing documentary base behind each one of these assertions in order to clarify, as much as possible, which is the true origin (the city and the supposed monastery of profession of the Oxonian Church Patron Saint, and where are the limits between the traditional belief and the documented data.

Global Analysis of Mannitol 2-Dehydrogenase in Lactobacillus reuteri CRL 1101 during Mannitol Production through Enzymatic, Genetic and Proteomic Approaches

Science.gov (United States)

Ortiz, Maria Eugenia; Bleckwedel, Juliana; Fadda, Silvina; Picariello, Gianluca; Hebert, Elvira M.; Raya, Raúl R.

2017-01-01

Several plants, fungi, algae, and certain bacteria produce mannitol, a polyol derived from fructose. Mannitol has multiple industrial applications in the food, pharmaceutical, and medical industries, being mainly used as a non-metabolizable sweetener in foods. Many heterofermentative lactic acid bacteria synthesize mannitol when an alternative electron acceptor such as fructose is present in the medium. In previous work, we reported the ability of Lactobacillus reuteri CRL 1101 to efficiently produce mannitol from sugarcane molasses as carbon source at constant pH of 5.0; the activity of the enzyme mannitol 2-dehydrogenase (MDH) responsible for the fructose conversion into mannitol being highest during the log cell growth phase. Here, a detailed assessment of the MDH activity and relative expression of the mdh gene during the growth of L. reuteri CRL 1101 in the presence of fructose is presented. It was observed that MDH was markedly induced by the presence of fructose. A direct correlation between the maximum MDH enzyme activity and a high level of mdh transcript expression during the log-phase of cells grown in a fructose-containing chemically defined medium was detected. Furthermore, two proteomic approaches (2DE and shotgun proteomics) applied in this study confirmed the inducible expression of MDH in L. reuteri. A global study of the effect of fructose on activity, mdh gene, and protein expressions of MDH in L. reuteri is thus for the first time presented. This work represents a deep insight into the polyol formation by a Lactobacillus strain with biotechnological potential in the nutraceutics and pharmaceutical areas. PMID:28060932

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…

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.

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 ...

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.

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.

Determination and stress studies on YK-1101, a potential histone deacetylase, by HPLC–UV and HPLC–TOF/MS methods

Directory of Open Access Journals (Sweden)

Chen Zhou

2013-06-01

Full Text Available YK-1101, with its structure as S-((E-4-((7S,10S,Z-4-ethylidene-7-isopropyl-2,5,8,12-tetraoxo -9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-1(17,15(18-dien-10-ylbut-3-en-1-yl ethanethioate, is synthesized as a potential histone deacetylase inhibitor. Its quality and stability under various stress conditions are not fully understood. In this study, a high performance liquid chromatographic (HPLC method was established and validated for the analysis of YK-1101 bulk drug samples. The chromatographic separation was performed on a C18 column with acetonitrile and water as mobile phase in a gradient elution. Based on the established method, the stability studies of YK-1101 under various stress conditions were carried out. YK-1101 was shown to undergo degradation under basic and acidic stress conditions, while it was stable under oxidative, photolytic and thermal conditions. In addition, a time of flight mass spectrometer (TOF/MS was coupled to HPLC for the characterization of major degradation products produced under basic and acidic stress conditions. Their degradation pathways were also discussed. Keywords: YK-1101, Degradation products, Stress study, Liquid chromatography, Time of flight mass spectrometer

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.

20 CFR 408.1101 - Can you appoint someone to represent you?

Science.gov (United States)

2010-04-01

... WORLD WAR II VETERANS Representation of Parties § 408.1101 Can you appoint someone to represent you? (a... clause in paragraph (b), the second sentences in paragraphs (b)(1) and (b)(2), and paragraph (c)(2) do... this part, the rules on representation of parties in §§ 416.1500-416.1505, 416.1507-416.1515 and 416...

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...

Determination of antioxidant activity in methanolic and chloroformic ...

African Journals Online (AJOL)

Administrator

2011-06-06

Jun 6, 2011 ... ... of plants and/or food containing antioxidant agents may help the body to ..... capability to been used in food systems to preserve food quality. ... essential oil, carnosic acid, rosmarinic acid and sesamol. Food. Chem. 110(1): ...

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...

Oxygen adsorption on Pt(110)-(1x2): new high-coverage structures

DEFF Research Database (Denmark)

Helveg, Stig; Lorensen, Henrik Qvist; Horch, Sebastian

1999-01-01

From an interplay between scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations, a comprehensive picture is obtained for oxygen adsorption on the Pt(110)-(1 x 2) surface, from single isolated oxygen atoms chemisorbed in FCC sites along the platinum ridges...... adsorption and platinum lattice distortions. (C) 1999 Elsevier Science B.V. All rights reserved....

34 CFR 110.1 - What is the purpose of ED's age discrimination regulations?

Science.gov (United States)

2010-07-01

... ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE General § 110.1 What is the purpose of ED's age discrimination regulations? The purpose of these regulations is to set out ED's rules for implementing the Age... 34 Education 1 2010-07-01 2010-07-01 false What is the purpose of ED's age discrimination...

Structure of HLA-A*1101 in complex with a hepatitis B peptide homologue

DEFF Research Database (Denmark)

Blicher, Thomas; Kastrup, Jette Sandholm; Pedersen, Lars Østergaard

2006-01-01

A high-resolution structure of the human MHC-I molecule HLA-A*1101 is presented in which it forms a complex with a sequence homologue of a peptide that occurs naturally in hepatitis B virus DNA polymerase. The sequence of the bound peptide is AIMPARFYPK, while that of the corresponding natural...

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.

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

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

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

L'establiment de l'Orde del Temple a la Tortosa de Síria (segle XII

Directory of Open Access Journals (Sweden)

Serrano Daura, Josep

1998-12-01

Full Text Available In the 1101 the Christian Croats conquered the city of Constantina (nowadays Siria. Constantina changed its name for Tortosa (the same name as other Catalan city then under the Muslim control, Tortosa became the Episcopal see and joined the Latin County of Tripoli (nowadays Lebanon, ceded to the Tolosa Count of Languedoc. In the twelve century Turks desolated it; the Tripoli's Count and the Tortosa's Bishop allowed the Temple's Order to build a new fortification through several deals about the different and reciprocal ecclesiastical economical rights. We can find information about the political organization in the "County of Tripoli's document", where these rights are collected, and also about the existence of one important bourgeois community who participated in the Count's Curia.[fr] L'année 1101 les croisés chrétiens conquèrent la ville de Constantina (à l'actuelle Syrie, ils changent sa denomination pour la de Tourtouse (comme autre ville catalane alors sous la domination musulmane, s'élève à siège episcopal et s'intègre au Comté latin de Tripoli (aujourd'hui au Liban, que appartient au comte de Toulouse de Languedoc. À la mi du XIIᵉ siècle, les turcs la détruirent complètement, et pour assurer sa défense, le comte de Tripoli avec l'êveque autorisent l'Ordre du Temple la construction d'une nouvelle fortification à Tourtouse, avec des pactes sur des divers et reciproques droits économiques ecclésiastiques. Le document que les recueille nous informe aussi sur l'organization politique du Comté de Tripoli, et de l'existence là d'une importante communauté bourgeoise, laquelle participe dans la cour comtale.

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.

Optical investigation of microscopic defect distribution in semi-polar (1-101 and 11-22) InGaN light-emitting diodes

Science.gov (United States)

Hafiz, Shopan; Andrade, Nicolas; Monavarian, Morteza; Izyumskaya, Natalia; Das, Saikat; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2016-02-01

Near-field scanning optical microscopy was applied to investigate the spatial variations of extended defects and their effects on the optical quality for semi-polar (1-101) and (11-22) InGaN light emitting diodes (LEDs). (1-101) and (11-22) oriented InGaN LEDs emitting at 450-470 nm were grown on patterned Si (001) 7° offcut substrates and m-sapphire substrates by means of nano-epitaxial lateral overgrowth (ELO), respectively. For (1-101) structures, the photoluminescence (PL) at 85 K from the near surface c+ wings was found to be relatively uniform and strong across the sample. However, emission from the c- wings was substantially weaker due to the presence of high density of threading dislocations (TDs) and basal plane stacking faults (BSFs) as revealed from the local PL spectra. In case of (11-22) LED structures, near-field PL intensity correlated with the surface features and the striations along the direction parallel to the c-axis projection exposed facets where the Indium content was higher as deduced from shift in the PL peak energy.

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/.

[Toxicity studies of landiolol hydrochloride (ONO-1101) (2). 4-week repeated dose intravenous toxicity study in rats with 4-week recovery test].

Science.gov (United States)

Yamaguchi, K; Yanagi, H; Shimizu, K; Sakai, M; Nishibata, K; Oida, H; Shinomiya, K; Suzuki, Y; Yonezawa, H; Fujita, T

1997-12-01

4-week repeated dose toxicity study with 4-week recovery test of landiolol hydrochloride (ONO-1101), a novel ultra short acting beta-blocker, was conducted in Sprague-Dawley (SD) rats. ONO-1101 was administered intravenously to rats of both sexes at a dose level of 0 (control), 12.5, 25, 50 or 100 mg/kg/day. In the 100 mg/kg/day group, bradypnea or dyspnea was seen in all animals, pale in ear, eye and foot, tremor, reddish lacrimation and loss of righting reflex were also observed in some animals right after administration, and then those signs disappeared within 1 min after administration. During the treatment period, 3/20 animals of each sex in the 100 mg/kg/day showed clonic convulsion and died within 2 min after administration. No clinical changes were seen in the 50 mg/kg/day group or lower. Histopathological findings showed atrophy of the submaxillary gland in females and vessel-wall thickening and perivascular fibrosis of the injection site (tail) in both sexes at 100 mg/kg/day, however those changes were reversible. ONO-1101 did not effect on body weight, food consumption, ophthalmology, urinalysis, hematology, blood chemistry, organ weights or necropsy at any doses. These results indicate that the no-adverse-effect level of ONO-1101 in rats is 50 mg/kg/day for both sexes in this study.

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.

Energetics and dynamics of Pt dimers on Pt(110)-(1x2)

International Nuclear Information System (INIS)

Linderoth, T.R.; Horch, S.; Petersen, L.; Helveg, S.; Schoenning, M.; Laegsgaard, E.; Stensgaard, I.; Besenbacher, F.

2000-01-01

The stability and dynamics of Pt dimers on Pt(110)-(1x2) are studied using fast-scanning, variable-temperature STM. The kinetics of both dissociation and association of dimers have been quantified from a direct analysis of time-lapse STM movies. The extracted barriers are at variance with results from ab initio calculations, and we speculate that the discrepancies are due to trace amounts of gas impurities such as CO

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.

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

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.

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

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...

76 FR 27649 - HIV/AIDS Bureau Policy Notice 11-01 (Replaces Policy Notice 99-02)

Science.gov (United States)

2011-05-12

... Bureau Policy Notice 11-01 (Replaces Policy Notice 99- 02) AGENCY: Health Resources and Services.../AIDS Bureau (HAB) Policy Notice 99-02 established policies for the use of Ryan White HIV/AIDS Program... and short-term or emergency housing needs. Amendment 1 to Policy Notice 99-02, effective March 27...

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.

[Toxicity studies of landiolol hydrochloride (ONO-1101) (1). Single intravenous toxicity study in rats and dogs].

Science.gov (United States)

Yamaguchi, K; Kasahara, T; Yanagisawa, Y; Nanba, T; Aze, Y; Shinomiya, K; Yonezawa, H; Fujita, T

1997-12-01

Single dose toxicity studies of landiolol hydrochloride (ONO-1101), a novel ultra short acting beta-blocker, were conducted in Sprague-Dawley (SD) rats and beagle dogs. ONO-1101 was administered intravenously at a dose level of 37.5, 75, 150 or 300 mg/kg to rats of both sexes and 25, 50 or 100 mg/kg to male dogs. In the rat study, 5/6 males in the 150 mg/kg group and all animals in the 300 mg/kg group died during or right after administration. Survivors in the 150 mg/kg group showed temporal hypoactivity, bradypnea, dyspnea, tremor, loss of righting reflex and reddish lacrimation up to 5 min after injection. One male in the 150 mg/kg group had a tendency of suppression on body weight gain. No effects on clinical signs and body weight gain were seen in the 75 mg/kg group or lower. Necropsy findings showed only red tear in the majority of the decedents. In the dog study, all animals died within 6 min after administration in the 100 mg/kg group, showed ataxic gait, rolling and tachypnea followed by bradypnea and gasping/apnea. Incontinence of urine, defecation and vocalization were also seen in each one of two animals before death. Temporal hypoactivity was seen 1 min after administration in the 50 mg/kg group. No clinical signs were seen in the 25 mg/kg group. ONO-1101 did not affect bodyweight or food consumption. Necropsy findings of the decedents showed no abnormalities. It is indicated that the minimum lethal doses are 150 mg/kg in rats and 100 mg/kg in dogs.

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%

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

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).

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.

Efficient mannitol production by wild-type Lactobacillus reuteri CRL 1101 is attained at constant pH using a simplified culture medium.

Science.gov (United States)

Ortiz, Maria Eugenia; Raya, Raúl R; Mozzi, Fernanda

2015-10-01

Mannitol is a natural polyol with multiple industrial applications. In this work, mannitol production by Lactobacillus reuteri CRL 1101 was studied at free- and controlled-pH (6.0-4.8) fermentations using a simplified culture medium containing yeast and beef extracts and sugarcane molasses. The activity of mannitol 2-dehydrogenase (MDH), the enzyme responsible for mannitol synthesis, was determined. The effect of the initial biomass concentration was further studied. Mannitol production (41.5 ± 1.1 g/l), volumetric productivity (Q Mtl 1.73 ± 0.05 g/l h), and yield (Y Mtl 105 ± 11 %) were maximum at pH 5.0 after 24 h while the highest MDH activity (1.66 ± 0.09 U/mg protein) was obtained at pH 6.0. No correlation between mannitol production and MDH activity was observed when varying the culture pH. The increase (up to 2000-fold) in the initial biomass concentration did not improve mannitol formation after 24 h although a 2-fold higher amount was produced at 8 h using 1 or 2 g cell dry weight/l comparing to the control (0.001 g cell dry weight/l). Finally, mannitol isolation under optimum fermentation conditions was achieved. The mannitol production obtained in this study is the highest reported so far by a wild-type L. reuteri strain and, more interestingly, using a simplified culture medium.

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).

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.

Spin-resolved photoemission of surface states of W(110)-(1x1)H

International Nuclear Information System (INIS)

Hochstrasser, M.; Tobin, J.G.; Rotenberg, Eli; Kevan, S.D.

2002-01-01

The surface electronic states of W(110)-(1x1)H have been measured using spin- and angle-resolved photoemission. We directly demonstrate that the surface bands are both split and spin-polarized by the spin-orbit interaction in association with the loss of inversion symmetry near a surface. We observe 100 percent spin polarization of the surface states, with the spins aligned in the plane of the surface and oriented in a circular fashion relative to the S-bar symmetry point. In contrast, no measurable polarization of nearby bulk states is observed

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

Hilla management in the Abbasid era 495-656 AH / 1101-1258 AD إدارة الحلة في العصر العبـــاسي 495- 656هـ/ 1101-1258 م

Directory of Open Access Journals (Sweden)

Mohammed Daeih Hassoun محمد ضايع حسون

2014-12-01

Full Text Available This research is an attempt to study the conditions of Hilla administrative since it established year 495 AH / 1101 AD until the end of the Abbasid era in 656 AH / 1258, Since Hilla is one of the Important Iraq cities that contributed to the political, social and economic events and had a big role in weakening the Seljuk power in Iraq, and that the reason of building it was politically and administratively represented in the desire of its founder Prince charity bin Mansour Mazeedi in maintaining its influence and achieve its goal of secession from the Seljuk State, when he saw suitable conditions because of the large number of funds and preoccupation with the sultans of the Seljuks in the ongoing disputes; for that he established Hilla and taken home to the emirate in 495 AH / 1101 AD

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....

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.

Does one-dimensional (1D) adatom and cluster diffusion of Pt on the Pt(110)-(1 x 2) surface lead to 1D ripening?

International Nuclear Information System (INIS)

Linderoth, T R; Horch, S; Petersen, L; Laegsgaard, E; Stensgaard, I; Besenbacher, F

2005-01-01

The technique of scanning tunnelling microscopy (STM) uniquely allows dynamic processes on surfaces to be followed directly in real space and at atomic resolution. Results for the 551225 surface diffusion of Pt adatoms and clusters on the anisotropic, missing row reconstructed Pt(110)-(1 x 2) surface are briefly reviewed. Mass transport in this system is entirely one-dimensional (1D) since, at low adatom coverage, atoms and clusters are confined to the missing row troughs. In this paper, we therefore address the question if Pt/Pt(110)-(1 x 2) is a 1D model system to study late stage growth phenomena such as island ripening? From STM measurements, we quantify the morphology changes resulting from annealing a surface configuration with small 1D Pt islands in the missing row troughs to temperatures in the interval 369-395 K. Interestingly, the resulting increase in island sizes (ripening) cannot be accounted for by the known island and adatom mobilities within a 1D model. An explanation is provided from dynamic, time-resolved 'STM-movies' that directly reveal two novel island-mediated mechanisms for inter-trough mass transport which cause the Pt/Pt(110)-(1 x 2) system not to be purely 1D at the higher surface coverage used in the annealing experiments

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.

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.

L2 Reading Motivation among Sri Lankan University Students

Science.gov (United States)

Dhanapala, Kusumi Vasantha; Hirakawa, Yukiko

2016-01-01

This study investigated the extent of the motivational processes that facilitated the text comprehension among 406 Sri Lankan university students in Sri Lanka. Students' L2 text comprehension and reading motivation were assessed using a reading comprehension test and a reading motivation and attitude questionnaire. The Principal Componential…

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.

Supersymmetric Grand Unification and Lepton Universality in $K \\to l\

CERN Document Server

Ellis, Jonathan Richard; Raidal, Martti

2009-01-01

in the near future, one may nevertheless obtain significant constraints on the model parameters and unknown aspects of right-handed fermion and sfermion mixing. Motivated by the prospects for an improved test of lepton universality in K -> l \

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.

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.

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.

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

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....

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

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

Rescue of Drosophila Melanogaster l(2)35Aa lethality is only mediated by polypeptide GalNAc-transferase pgant35A, but not by the evolutionary conserved human ortholog GalNAc-transferase-T11

DEFF Research Database (Denmark)

Bennett, Eric P; Chen, Ya-Wen; Schwientek, Tilo

2010-01-01

The Drosophila l(2)35Aa gene encodes a UDP-N-acetylgalactosamine: Polypeptide N-acetylgalactosaminyltransferase, essential for embryogenesis and development (J. Biol. Chem. 277, 22623-22638; J. Biol. Chem. 277, 22616-22). l(2)35Aa, also known as pgant35A, is a member of a large evolutionarily con...

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.

B→K1l+l- decays in a family non-universal Z' model

International Nuclear Information System (INIS)

Li, Ying; Hua, Juan; Yang, Kwei-Chou

2011-01-01

The implications of the family non-universal Z' model in the B→K 1 (1270,1400)l + l - (l=e,μ,τ) decays are explored, where the mass eigenstates K 1 (1270, 1400) are the mixtures of 1 P 1 and 3 P 1 states with the mixing angle θ. In this work, considering the Z' boson and setting the mixing angle θ=(-34±13) , we analyze the branching ratio, the dilepton invariant mass spectrum, the normalized forward-backward asymmetry and lepton polarization asymmetries of each decay mode. We find that all observables of B→K 1 (1270)μ + μ - are sensitive to the Z' contribution. Moreover, the observables of B→K 1 (1400)μ + μ - have a relatively strong θ-dependence; thus, the Z' contribution will be buried by the uncertainty of the mixing angle θ. Furthermore, the zero crossing position in the FBA spectrum of B→K 1 (1270)μ + μ - at low dilepton mass will move to the positive direction with Z' contribution. For the tau modes, the effects of Z' are not remarkable due to the small phase space. These results could be tested in the running LHC-b experiment and super-B factory. (orig.)

Magnetic Activity and Period Variation Studies of the Short-period Eclipsing Binaries. II. V1101 Her, AD Phe, and NSV 455 (J011636.15-394955.7)

Science.gov (United States)

Pi, Qing-feng; Zhang, Li-yun; Bi, Shao-lan; Han, Xianming L.; Wang, Dai-mei; Lu, Hong-peng

2017-12-01

In this paper, we present new BVRI light curves of short-period contact eclipsing binaries V1101 Her and AD Phe from our observations carried out from 2014 to 2015 using the SARA KP and SARA CT telescopes. There is an eclipsing binary located at α(2000) = 01h16m36.ˢ15 and δ(2000) = -39°49‧55.″7 in the field of view of AD Phe. We derived an updated ephemeris and found there a cyclic variation overlaying a continuous period increase (V1101 Her) and decrease (AD Phe). This kind of cyclic variation may be attributed to the light time effect via the presence of the third body or magnetic activity cycle. The orbital period increase suggests that V1101 Her is undergoing a mass-transfer from the primary to the secondary component (dM 1/dt = 2.64(±0.11) × 10-6 M ⊙ yr-1) with the third body (P 3 = 13.9(±1.9) years), or 2.81(±0.07) × 10-6 M ⊙ yr-1 for an increase andmagnetic cycle (12.4(±0.5) years). The long-term period decrease suggests that AD Phe is undergoing a mass-transfer from the secondary component to the primary component at a rate of -8.04(±0.09) × 10-8 M ⊙ yr-1 for a period decrease and the third body (P 3 = 56.2(±0.8) years), or -7.11(±0.04) × 10-8 M ⊙ yr-1 for a decrease and magnetic cycle (50.3(±0.5) years). We determined their orbital and geometrical parameters. For AD Phe, we simultaneously analyzed our BVRI light curves and the spectroscopic observations obtained by Duerbeck & Rucinski. The spectral type of V1101 Her was classified as G0 ± 2V by LAMOST stellar spectra survey. The asymmetry of the R-band light curve of AD Phe obtained by McFarlane & Hilditch in 1987 is explained by a cool spot on the primary component.

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

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.

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)

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

Study on antioxidant activity of Echinacea purpurea L. extracts and ...

African Journals Online (AJOL)

STORAGESEVER

2009-10-05

Oct 5, 2009 ... capacity changes and phenolic profile of Echinacea purpurea, nettle. (Urtica dioica L.), and dandelion (Taraxacum officinale) after application of polyamine and phenolic biosynthesis regulators. J. Agric. Food Chem. 55: 5689-5696. Kaiser MG, Cheeseman JH, Kaiser P, Lamont SJ (2006). Cytokine.

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...

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

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.

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...

Kinetics of physical adsorption of ethane on Ir(110)-(1×2): Molecular beam reflectivity measurements and Monte Carlo simulations

OpenAIRE

Kang, H. C.; Mullins, C. B.; Weinberg, W. H.

1990-01-01

Experimental results, obtained using a reflectivity method, for the probability of physical adsorption of ethane on the Ir(110)-(1×2) surface are presented. We analyze these results using Monte Carlo simulations and show that physical adsorption can occur either directly or through a precursor state in which an ethane molecule is trapped in a second layer above a first layer of physically adsorbed ethane. From the Monte Carlo simulations, we are able to establish that the energy barrier for d...

Correction to Three Novel Alkaloids from Portulaca oleracea L. and Their Anti-inflammatory Effects.

Science.gov (United States)

Li, Cui-Yu; Meng, Yi-Han; Ying, Zhe-Ming; Xu, Nan; Hao, Dong; Gao, Ming-Zhe; Zhang, Wen-Jie; Xu, Liang; Gao, Yu-Cong; Stien, Didier; Ying, Xi-Xiang

2017-02-01

Oleracimine and oleracimine A were isolated from Portulaca oleracea L. and described in the J. Agric. Food Chem, but the alternative structures of the two compounds are proposed on the basis of NMR analyses.

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.

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

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

Universal empirical fit to L-shell X-ray production cross sections in ionization by protons

Science.gov (United States)

Lapicki, G.; Miranda, J.

2018-01-01

A compilation published in 2014, with a recent 2017 update, contains 5730 experimental total L-shell X-ray production cross sections (XRPCS). The database covers an energy range from 10 keV to 1 GeV, and targets from 18Ar to 95Am. With only two adjustable parameters, universal fit to these data normalized to XRPCS calculated at proton velocity v1 equal to the electron velocity in the L-shell v2L, is obtained in terms of a single ratio of v1/v2L. This fit reproduces 97% of the compiled XRPCS to within a factor of 2.

Connecting Reading and Writing Using Children's Literature in the University L2 Classroom

Science.gov (United States)

Leal, Priscila

2015-01-01

This article investigates the potential benefits of using children's literature in adult second language (L2) classrooms. A short-term, intensive university course for English reading and writing was designed incorporating children's literature into the curriculum. The author describes the course and discusses how children's literature can be used…

A New NPGS Special Collection: Norman L. Taylor University of Kentucky Clover Collection

Science.gov (United States)

Dr. Norman L. Taylor was a world renowned Professor and clover breeder in the Department of Plant and Soil Sciences at the University of Kentucky for 48 years. Following retirement in 2001, he continued working on clovers up until his death in 2010. Dr. Taylor’s entire career was devoted to enhancin...

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

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

Science.gov (United States)

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

2016-01-01

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

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…

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.

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

SHORT COMMUNICATION

African Journals Online (AJOL)

a

______. *Corresponding author. E-mail: vani_chem@yahoo.com. SHORT COMMUNICATION. OXIDATION OF L-CYSTINE BY CHROMIUM(VI) - A KINETIC STUDY. Kalyan Kumar Adari, Annapurna Nowduri and Vani Parvataneni*. Department of Inorganic and Analytical Chemistry, School of Chemistry, Andhra University,.

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

Taking Pharmaceutical Innovation to the Masses.

Science.gov (United States)

Burcham, Philip C

2017-07-13

General levels of "pharmaceuticals literacy" are not high in contemporary societies. To address this educational need, in 2012 the University of Western Australia introduced an innovative multidisciplinary course for undergraduates within any degree program entitled PHAR1101: Drugs that Changed the World . Now ranking among the largest courses at the institution, PHAR1101 enrollments will likely approach 1000 students in 2017.

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.;

Designing Student Feedback System within the Course Evaluation Process: Dokuz Eylül University Case Study

Directory of Open Access Journals (Sweden)

Muhammet DAMAR

2017-04-01

Full Text Available The Bologna Process at National Higher Education Programs initiated a series of studies regarding the assessment and evaluation of quality in higher education. Dokuz Eylül University has taken this initiation into a primary concern to develop a methodology for the measurement of quality in undergraduate education. Besides the existing systems on this subject at Dokuz Eylül University, substantial progress was recently made by developing innovative sub-systems aiming further improvements. As one of the most important stakeholders, the feedback from students about the quality of the courses was selected as the major concern and a Student Course Feedback System was developed for this purpose. As an exemplary case study, this reveals how the Student Course Feedback System was designed, the process, the technologies used, the problems and constraints encountered, and the roadmap that can be followed by other universities. Dokuz Eylül University has interiorized this process as a corporate culture by directing instructors to make improvements in the courses with respect to the outputs of the evaluation forms, including questions about learning outcomes, instructors, and physical conditions. The integrated design of the Student Course Feedback System with the existing information systems has enabled management to implement a course evaluation system comprising the trilogy of students, instructors, and courses as a whole. The existence of such an assessment process supports the principles of continuous improvement and helps to establish the factual decision making process as an important milestone on the roadmap for a living quality assurance system.

Spontaneous B-L breaking as the origin of the hot early universe

Energy Technology Data Exchange (ETDEWEB)

Buchmueller, W.; Domcke, V.; Schmitz, K.

2012-03-15

The decay of a false vacuum of unbroken B-L symmetry is an intriguing and testable mechanism to generate the initial conditions of the hot early universe. If B-L is broken at the grand unification scale, the false vacuum phase yields hybrid inflation, ending in tachyonic preheating. The dynamics of the B - L breaking Higgs field and thermal processes produce an abundance of heavy neutrinos whose decays generate entropy, baryon asymmetry and gravitino dark matter. We study the phase transition for the full supersymmetric Abelian Higgs model. For the subsequent reheating process we give a detailed time-resolved description of all particle abundances. The competition of cosmic expansion and entropy production leads to an intermediate period of constant 'reheating' temperature, during which baryon asymmetry and dark matter are produced. Consistency of hybrid inflation, leptogenesis and gravitino dark matter implies relations between neutrino parameters and superparticle masses, in particular a lower bound on the gravitino mass of 10 GeV.

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…

Temperature-dependent time-resolved photoluminescence measurements of (1-101)-oriented semi-polar AlGaN/GaN MQWs

Science.gov (United States)

Rosales, Daniel; Gil, Bernard; Monavarian, Morteza; Zhang, Fan; Okur, Serdal; Izyumskaya, Natalia; Avrutin, Vitaliy; Özgür, Ümit; Morkoç, Hadis

2015-03-01

We studied the temperature dependence and the recombination dynamics of the photoluminescence of (1-101)-oriented semi-polar Al0.2Ga0.8N/GaN multiple quantum wells (MQW). The polarized low-temperature PL measurements reveal that radiative recombination exhibit an anisotropic behavior. The PL intensity at room temperature is reduced by one order of magnitude with respect to low temperature. The radiative decay time exhibits a mixed behavior: it is roughly constant between 8K to ranging near 140-150K and then rapidly increases with a slope of 10 ps.K-1. This behavior is indicative of coexistence of localized excitons and free excitons which relative proportion are statistically computed.

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)

Sexual orientation and sexual risk behaviors among male students of a university in southern Thailand.

Science.gov (United States)

Sureerut, Rongruang; Assanangkornchai, Sawitri; Chongsuvivatwong, Virasakdi; Duangmala, Padoongyot

2013-09-01

To determine the prevalence of sexual orientation, identify predictors of being homosexual or bisexual (HB), and assess the association of sexual orientation with sexual risk behaviors among university male students in southern Thailand. A cross-sectional study was conducted on third year male university students between June 2008 and February 2009 using anonymous self-administered questionnaires. Among 1,101 eligible students, 1,013 (92%) responded The prevalence of heterosexuality, homosexuality, and bisexuality among respondents were 90.2%, 6.7%, and 3.1%, respectively giving a prevalence of HB of 9.8%. Significant factors predicting HB included having separated parents. Overall lifetime prevalence of men having sex with men (MSM) was 6.3% (2% in heterosexual males and 46.5% among HB males). HB males were more likely to have multiple sex partners and engage in group sex, and less likely to use condoms than were heterosexual males. The prevalence of sexual risk behaviors among these male students, especially HB, was high.

Reply to the Comment by A. Wyttenbach and L. Tobler and correction for errata on 'Minor and trace element determination of food spices and pulses of different origins by NAA and PAA'

International Nuclear Information System (INIS)

Miyamoto, Y.; Kajikawa, A.; Zaidi, J.H.; Nakanishi, T.; Sakamoto, K.; Kanazawa Univ.

2001-01-01

Reply is given to the comment by A. Wyttenbach and L. Tobler in J. Radioanal. Nucl. Chem., 247 (2001) 457 on the article by Y. Miyamoto et. al. published in J. Radioanal. Nucl. Chem. 243 (2000) 747 on 'Minor and trace element determination of food spices and pulses of different origins by NAA and PAA'. (N.T.)

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

Michelle L. Reed | NREL

Science.gov (United States)

troubleshooting High-throughput procedures In-house and external client training Method development High-pressure Pretreatment of Corn Stover Enables Facile Lignin Extraction," ACS Sustainable Chem. Eng. (2017) " ;Reductive Catalytic Fractionation of Corn Stover Lignin," ACS Sustainable Chem. Eng. (2016) "

Resonance Fluorescence of a Two-Level Atom Near a Metal Surface. II. Case of a Strong Driving Field,

Science.gov (United States)

1984-02-01

XYH thanks Prof. M. G. Raymer for a useful discussion. REFERENCES 1. X. Y. Huang, J. Lin and T. F. George, J. Chem. Phys., 80, 893 (1984). 2. X. Y...Mollow, Phys. Rev. A, 15, 1023 (1977). 12. J. L. Carlsten, A. Sz6ke and M. G. Raymer , Phys. Rev. A, 15, 1029 (1977). 13. H. Kuhn, J. Chem. Phys. 53, 101...Evanston, Illinois 60201 Austin, Texas 78712 Dr. Robert M. Hexter Dr. R. P. Van Duyne Department of Chemistry Chemistry Department University of Minnesota

Defense AT&L Magazine A Publication of the Defense Acquisition University. Volume 34, Number 2, DAU 183

National Research Council Canada - National Science Library

Turk, Wayne; Wynn, Michael W; Schaeffer, Mark D; Walsh, John; Kratz, Louise A; Ward, Dan; Brown, David; McVay, Tammi

2005-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

Defense AT&L Magazine A Publication of the Defense Acquisition University. Volume 34, Number 1, DAU 182

National Research Council Canada - National Science Library

Gadeken, Owen C; Quaid, Chris; Ward, Dan; Liss, Steven; Lambert, Cathy; Li, Alan; Parmer, Shailesh; Hurt, Hayden; Sumpter, LeAntha; Malnick, Kathy

2005-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

Defense AT&L Magazine: A Publication of the Defense Acquisition University. Volume 34, Number 3, DAU 184

National Research Council Canada - National Science Library

Chedister, Robert W; Leach, Richard; Route, Ronald; Knott, Claudia; Turk, Wayne; Quaid, Chris; Ward, Dan; Geurts, James F

2005-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

Defense AT&L Magazine A Publication of the Defense Acquisition University. Volume 33, Number 5, DAU 181

National Research Council Canada - National Science Library

Wynn, Michael; Gadeken, Owen C; Triggs, Marcia; Wengrowski, Bruno S

2004-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

Defense AT&L Magazine A Publication of the Defense Acquisition University. Volume 33, Number 6, DAU 181

National Research Council Canada - National Science Library

Horn, John F; Ronis, Sheila R; Vann, Sandy; Sylvester, Richard K

2005-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

Defense AT&L Magazine: A Publication of the Defense Acquisition University. Volume 33, Number 4, DAU 180

National Research Council Canada - National Science Library

Bryan, Harry W; Pezzano, Anthony; Burke, Peter; Davis, Jerry; Vanleer, Keisha; Howe, Keith B; Rippere, Richard B; Ward, Daniel; McGrath, Elizabeth A

2004-01-01

.... As the flagship publication of the Defense Acquisition University, Defense AT AND L also disseminates information on training and education, continuous learning, and e-Learning to those acquisition...

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

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

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.

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.

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

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

Strategy to discover diverse optimal molecules in the small molecule universe.

Science.gov (United States)

Rupakheti, Chetan; Virshup, Aaron; Yang, Weitao; Beratan, David N

2015-03-23

The small molecule universe (SMU) is defined as a set of over 10(60) synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We take a stochastic approach and extend the ACSESS framework ( Virshup et al. J. Am. Chem. Soc. 2013 , 135 , 7296 - 7303 ) to develop diversity oriented molecular libraries that can generate a set of compounds that is representative of the small molecule universe and that also biases the library toward favorable physical property values. We show that the approach is efficient compared to exhaustive enumeration and to existing evolutionary algorithms for generating such libraries by testing in the NKp fitness landscape model and in the fully enumerated GDB-9 chemical universe containing 3 × 10(5) molecules.

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.

Academician L. V. Pisarzhevsky is the founder of chemical science and education in Dnipropetrovsk university

Directory of Open Access Journals (Sweden)

Valerij S. Kovalenko

2014-12-01

Full Text Available The article is devoted to the 140 anniversary of birth of the academician Lev Vladimirovich Pisarzhevsky, who was a distinguished chemical scientist, founder of the important area of chemical science – electronic chemistry. The article dwells upon the basic stages of the scientist’s life and creative art. The major results of scientific and educational activity during Dnipropetrovsk period of his life are reported. His role in the foundation of dnipropetrovsk scientific school of physical chemistry, as well as in its establishment, is shown. The pioneering role of the academician L. V. Pisarzhevsky in the formation of the theory of redox reactions as processes of returning and joining of electrons, which is generally accepted nowadays, as well as in the creation of backgrounds of modern electronic theories of catalysis, has been shown. L. V. Pisarzhevsky is characterized as a wonderful lecturer and teacher who expounded chemical material from the point of view of electronic conception and laid the foundation for the reformation of chemistry. The role of the academician L. V. Pisarzhevsky in the foundation of Dnipropetrovsk University and its chemical department, as well as in the organization of educational process in this establishment, is exposed using archive materials, which are kept in the funds of the State Archive of the Dnipropetrovsk region and of the historical museum of Oles Honchar Dnipropetrovsk National University.

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.

ChemSearch Journal: Editorial Policies

African Journals Online (AJOL)

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

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

Helium Nanodroplet Isolation and Infrared Spectroscopy of the Isolated Ion-Pair 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Science.gov (United States)

2013-09-01

Isolated Ion- Pair 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide   Emmanuel I. Obi†, Christopher M. Leavitt†, Paul L. Raston... Christopher P. Moradi†, Steven D.   Flynn†, Jerry A. Boatz§,*, Steven D. Chambreau‡,* and Gary E. Douberly†,*     †Department of Chemistry, University of...Windus, T. L.; Dupuis , M.; Montgomery, J. A. General Atomic and Molecular Electronic-Structure System. J. Comput. Chem. 1993, 14, 1347-1363

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.

Genetic evaluation of spring wheat (Triticum aestivum L.) genotypes ...

African Journals Online (AJOL)

SAM

2014-04-30

Apr 30, 2014 ... (early milk) and GS 77 (late milk) (Zadoks et al., 1974). Disease severity ... PRL/2 *PASTOR/4/CHOIX/STAR/3/HE1/3*CNO79//2*SERI. NDUA&T. .... (dwarf). RAJ 4286. (84.75). HD 3108. (87.00). DBW 17. (87.75). K 1101.

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

Astrophysics and the exploration of the universe; L'astrophysique et l'exploration de l'Univers

Energy Technology Data Exchange (ETDEWEB)

Turck-Chieze, S.; Garcia, R.A.; Brun, A.S.; Minier, V.; Andre, Ph.; Motte, F.; Mathis, St.; Foglizzo, Th.; Decourchelle, A.; Ballet, J.; Chaty, S.; Corbel, St.; Rodriguez, J.; Brahic, A.; Charnoz, S.; Ferrari, C.; Lagage, P.O.; Masset, F.; Pantin, E.; Sauvage, M.; Galliano, F.; Goldwurm, A.; Ballet, J.; Decourchelle, A.; Grenier, I.; Daddi, E.; Elbaz, D.; Bournaud, F.; Yvon, D.; Arnaud, M.; Teyssier, R.; Lehoucq, R.; Palanque-Delabrouille, N.; Lehoucq, R.; Cirelli, M.; Bonvin, C.; Mansoulie, B.; Ruhlmann-Kleider, V.; Refregier, A.; Brax, Ph.; Lavignac, St.; Starck, J.L.; Talvard, M.; Sauvage, M.; Cara, Ch.; Lagage, P.O.; Ferrari, C.; Rodriguez, L.; Sauvageot, J.L.; Lebrun, F.; Grenier, I.; Glicenstein, J.F.; Gerbier, G.

2009-07-01

This special issue of Clefs CEA journal is entirely devoted to astrophysics and to the exploration and probing of the Universe. A first part of this dossier, described here, makes a status of our present day knowledge about stars, planets, galaxies, the Universe structure and dark matter. Content: 1 - Stars seed the Universe: What does the Sun tell us?, Probing stellar interiors, From the Sun to the stars, A tour of stellar nurseries, How heavy elements arise, How supernovae explode, Supernova remnants, High-energy objects - sources for astonishment, Focus: A Probing the Universe across the entire light spectrum; 2 - Planets: a dance of small bodies, swirling around up to the finale of their birth: How our world was born, The rings of Saturn: a magnificent research laboratory, Planetary cocoons; 3 - Galaxies: a richly paradoxical evolution: The active life of galaxies, A mysterious black hole, Elucidating the cosmic ray acceleration mechanism, Seeking out the great ancestors, The formation of galaxies: a story of paradoxes, The morphogenesis of galaxies; 4 - The Universe, a homogeneous 'soup' that has turned into a hierarchical structure: The grand thermal history of the Universe, The cosmic web, The formation of the structures of the Universe: the interplay of models, Does the Universe have a shape? Is it finite, or infinite?; 5 - Odyssey across the dark side of the Universe: The puzzle of dark matter, Astrophysics and the observation of dark matter, The theory of dark matter, Could dark matter be generated some day at LHC? A Universe dominated by dark energy, Astrophysics and the observation of dark energy, Theories of dark energy, The matter-antimatter asymmetry of the Universe; 6 - Journey into the lights of the Universe: Microwave - ESA Planck Surveyor, Submillimeter and infrared - ArTeMis, Herschel Space Observatory, VLT-VISIR, Cassini-CIRS, Visible - SoHo-GOLF, X-ray - XMM-Newton, Gamma ray - INTEGRAL, Fermi Gamma-Ray Space Telescope, HESS

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.

New Cosmic Center Universe Model Matches Eight of Big Bang's Major Predictions Without The F-L Paradigm

CERN Document Server

Gentry, R V

2003-01-01

Accompanying disproof of the F-L expansion paradigm eliminates the basis for expansion redshifts, which in turn eliminates the basis for the Cosmological Principle. The universe is not the same everywhere. Instead the spherical symmetry of the cosmos demanded by the Hubble redshift relation proves the universe is isotropic about a nearby universal Center. This is the foundation of the relatively new Cosmic Center Universe (CCU) model, which accounts for, explains, or predicts: (i) The Hubble redshift relation, (ii) a CBR redshift relation that fits all current CBR measurements, (iii) the recently discovered velocity dipole distribution of radiogalaxies, (iv) the well-known time dilation of SNeIa light curves, (v) the Sunyaev-Zeldovich thermal effect, (vi) Olber's paradox, (vii) SN dimming for z 1 an enhanced brightness that fits SN 1997ff measurements, (ix) the existence of extreme redshift (z > 10) objects which, when observed, will further distinguish it from the big bang. The CCU model also plausibly expl...

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.

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

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

A mobile application to screen for autism in Arabic-speaking communities in Oman

Directory of Open Access Journals (Sweden)

Thomas Jonathan Klein

2015-03-01

Funding: Funding sources included Information Technology Authority (Oman, ASM Technologies (Oman, Sultan Qaboos University through Strategic Project SR/MED/FMCO/11/01 (Oman, and the Fulbright US Student Program (USA.

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

Metacognition and L2 listening. Observation of university-level teaching practices

Directory of Open Access Journals (Sweden)

Jaqueline Hernandez Wilson

2016-01-01

Full Text Available Theoretical and empirical research offers support for explicit instruction on metacognition and cognitive strategies as an effective way to improve L2 listening skills. This study is aimed at identifying whether both metacognition and cognitive strategies are worked on in a university-level French class on a daily basis. A second-year French-class teacher and his students (n=26 were observed during five listening-based sessions over a semester. Quantitative data was collected with regard to six dimensions of explicit metacognitive instruction of listening skills, using a teacher self-evaluation questionnaire, a student questionnaire and a structured observation. The results reveal implicit cognitive work during the pre-, while- and post-listening teaching stages. Nonetheless, strategy assessment, and the explicit teaching of metacognitive strategies for planning, monitoring, controlling and problem identifying, both remain controversial.

Desorption, dissociation and orientation of oxygen admolecules on a reconstructed platinum(110)(1x2) surface studied by thermal desorption and near-edge X-ray-absorption fine-structure

International Nuclear Information System (INIS)

Ohno, Yuichi; Matsushima, Tatsuo; Tanaka, Shin-ichiro; Kamada, Masao

1993-01-01

The desorption, dissociation and orientation of oxygen admolecules on a reconstructed Pt(110)(1x2) were studied by means of TDS combined with isotope tracer, NEXAFS, and angle-resolved TDS. The admolecules below half a monolayer lie on the bottom of the trough, being oriented along it. The molecules adsorbed additionally are lying on declining terraces. The desorption flux of the former species shows a simple cosine distribution, suggesting that the molecule is not localized on the bottom in the desorption event. (author)

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.

Substituent Effects and Bonding Characteristics in o- Benzoquinonediiminebis(bipyrdine) Ruthenium(II) Complexes

Science.gov (United States)

1992-10-23

C.; Dei, A.; Gatteschi , D.; Pardi, L Inorg. Chem. 1989, 2L 1476; (b) Benel, C.; Dei, A.; Gatteschi , D.; Ckdel, H. U.; Pardi, L Inorg. Ckem. 1989, 28...3091; (c) Benelli, C.; Dei, A.; Gatteschi , D.; Pardi, L Inorg.Chem. 1990,2& 3409. 16. Bruni, S.; Cariati, F.; Dei, A.; Gatteschi , D. Inog Cbim. Ata...1991, 186 157. 17. Dei, A.; Gatteschi , D.; Pardi, L; Barra, A. L; Brunel, L C. Chem, Py. Lett.. 1990, 175. 589; Dei, A.; Pardi, L Inorg, Chim.Acta

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

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

The value of some genetic factors for prediction of chronic hepatitis C antiviral treatment effectiveness

Directory of Open Access Journals (Sweden)

V. M. Mitsura

2014-01-01

Full Text Available Aim: To determine the value of gene polymorphisms of interleukin-28B (IL28B, RNase L, HLA DRB1*1101 and HLADQB1*03 alleles as predictors of antiviral treatment efficacy in patients with chronic hepatitis C (CHC.Material and methods. A total of 156 in-patients with chronic hepatitis C (65.4% men, 62.4% had genotype 1 hepatitis C virus – HCV were studied. The results of treatment with interferon (IFN and ribavirin (RBV were analyzed in 74 patients. Polymerase chain reaction identified single nucleotide polymorphisms (SNP of the gene IL28B 39743165T>G (rs8099917, SNP 39738787C> T (rs12979860, RNase L gene (1385G>A, HLA DRB1*1101 and HLA-DQB1*03 alleles.Results. In patients with HCV genotype 1 mutant alleles were more common in SNP 39743165T>G (p=0.001 and 39738787C>T (p=0.0002 than in patients with other genotypes. Response to therapy IFN/RBV was higher in those with “favorable” TT variant (SNP 39743165T>G and CC (SNP 39738787C>T, in those with their combination virologic response ffect were found according to genes IL28B and RNase L SNP variants, DRB1*1101 and HLA-DQB1*03 alleles.Conclusion. Testing for SNP 39738787C>T of IL28B gene is recommended before starting therapy IFN / RBV for all patients with genotype 1 HCV as a predictor of treatment response. Testing SNP 1385G>A gene RNase L and DRB1*1101, HLA-DQB1*03 alleles has no apparent prognostic value for patients with CHC antiviral therapy.

The Development and Study of Molecular Electronic Switches and their Field-Effect Transistor (FET) Device Properties

Science.gov (United States)

2015-02-27

Grand Rapids, MI) meetings and conferences. References 1. L.N Lucas, J.J.D. de Jong, J.H. van Esch, R.M. Kellogg , B.L. Berringa. Eur. J. Org...R.M. Kellogg , H.L. Feringa, H.L. Eur. J. Org. Chem., 2003, 155-166. 6. B. Qin, R. Yao, X. Zhao, H. Tian. Org. Biomol. Chem., 1, 2003, 2187-2191...7. L.N. Lucas, J.H. van Euch, R.M. Kellogg , B. Feringa. Chem. Comm., 1998, 2313-2314.

Spontaneous L-H transitions under marginal hot cathode biasing in the Tohoku University Heliac

International Nuclear Information System (INIS)

Kitajima, S; Takahashi, H; Tanaka, Y; Utoh, H; Yokoyama, M; Inagaki, S; Suzuki, Y; Nishimura, K; Shinde, J; Ogawa, M; Iwazaki, K; Aoyama, H; Okamoto, A; Shinto, K; Sasao, M

2006-01-01

A series of hot cathode biasing experiments with marginal conditions for improved mode transition were carried out in the Tohoku University Heliac (TU-Heliac). Spontaneous transitions were observed accompanied by a delay of a few milliseconds. Transition conditions were explored over a wide operation range. The transition points can be identified clearly and easily in the operation range, because the plasma parameters changed slowly until the spontaneous transition. Although operation conditions were spread over a wide range, poloidal Mach numbers for transitions were concentrated in the range of -M p = 1-2 and normalized driving forces for poloidal rotation agreed well with the local maximum value of ion viscosity predicted by neoclassical theory. The local maximum of ion viscosity against the poloidal Mach number was found to play a key role in the L-H transition. Marginal hot cathode biasing is suitable to determine the threshold conditions for the L-H transition

Palladium complexes of pyrrole-2-aldehyde thiosemicarbazone ...

Indian Academy of Sciences (India)

Chem. Rev. 253 1384; (j) Lobana T S, Sharma. R, Bawa G and Khanna S 2009 Coord. Chem. Rev. 253. 977; (k) Quiroga A G and Ranninger C N 2004 Coord. Chem. Rev. 248 119; (l) Dilworth J R, Arnold P, Morales. D, Wong Y L and Zheng Y 2002 Modern Coord. Chem. 217; (m) West D X, Liberta A E, Padhye S B, Chikate.

An Exploration of Language Anxiety in L2 Academic Context for Chinese International Students in U.S. Universities

Science.gov (United States)

Zhao, Qing

2013-01-01

This mix-methods study examined the language anxiety levels that the Chinese international students perceived in second language (L2) academic context at four universities in the northeastern region of the United States of America; it explored the impact of language anxiety that these students perceived on their academic learning; it also…

Do L2 Writing Courses Affect the Improvement of L1 Writing Skills via Skills Transfer from L2 to L1?

Science.gov (United States)

Gonca, Altmisdort

2016-01-01

This study investigates the relationship of second language (L2) writing skills proficiency with the first language (L1) writing skills, in light of the language transfer. The study aims to analyze the positive effects of L2 writing proficiency on L1 writing proficiency. Forty native Turkish-speaking university students participated in the study.…

Upgrade of the ISIR L-band linac at Osaka University and stabilization of the electron beam

International Nuclear Information System (INIS)

Kato, R.; Kashiwagi, S.; Yamamoto, T.; Suemine, S.; Isoyama, G.

2004-01-01

The L-band electron linac at the Institute of Scientific and Industrial Research, Osaka University has been extensively remodeled to realize high operational stability and reproducibility for advanced studies in beam science and technology. Almost all the peripheral components are replaced with new ones. The modification of the linac has been completed and commissioning is now in progress. In this paper, we will report performance and characteristics of the linac after modification. (author)

Unravelling the Conformational Landscape of Nicotinoids: the Structure of Cotinine by Broadband Rotational Spectroscopy

Science.gov (United States)

Uriarte, Iciar; Ecija, Patricia; Cocinero, Emilio J.; Perez, Cristobal; Caballero-Mancebo, Elena; Lesarri, Alberto

2015-06-01

Alkaloids such as nicotine, cotinine or anabasine share a common floppy structural motif consisting of a two-ring assembly with a 3-pyridil methylamine skeleton. In order to investigate the structure-activity relationship of these biomolecules, structural studies with rotational resolution have been carried out for nicotine and anabasine in the gas phase, where these molecules can be probed in an "interaction-free" environment (no solvent or crystal-packing interactions). We hereby present a structural investigation of cotinine in a jet expansion using the chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer recently built at the University of the Basque Country (UPV-EHU). The rotational spectrum (6-18 GHz) reveals the presence of two different conformations. The conformational preferences of cotinine originate from the internal rotation of the two ring moieties, the detected species differing in a near 180° rotation of pyridine. The final structure is modulated by steric effects. J.-U. Grabow, S. Mata, J. L. Alonso, I. Peña, S. Blanco, J. C. López, C. Cabezas, Phys. Chem. Chem. Phys. 2011, 13, 21063. A. Lesarri, E. J. Cocinero, L. Evangelisti, R. D. Suenram, W. Caminati, J.-U. Grabow, Chem. Eur. J. 2010, 16, 10214.

Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database

Science.gov (United States)

2012-01-01

Herein we review our recent efforts in searching for bioactive ligands by enumeration and virtual screening of the unknown chemical space of small molecules. Enumeration from first principles shows that almost all small molecules (>99.9%) have never been synthesized and are still available to be prepared and tested. We discuss open access sources of molecules, the classification and representation of chemical space using molecular quantum numbers (MQN), its exhaustive enumeration in form of the chemical universe generated databases (GDB), and examples of using these databases for prospective drug discovery. MQN-searchable GDB, PubChem, and DrugBank are freely accessible at www.gdb.unibe.ch. PMID:23019491

Prospectus 1999

Science.gov (United States)

Holmes, Jon L.; Gettys, Nancy S.

1999-01-01

optimized for delivery via the World Wide Web. If all goes according to plan, two new CCA! volumes will be announced in 1999, and CCA! 1 and CCA! 2 will be updated to take advantage of the latest digital video technology. Chem Pages Chem Pages, Laboratory Techniques, was developed by the New Traditions Curriculum Project at the University of Wisconsin-Madison. It is an HTML-based CD-ROM for Mac OS and Windows that contains lessons and tutorials to prepare introductory chemistry students to work in the laboratory. It includes text, photographs, computer graphics, animations, digital video, and voice narration to introduce students to the laboratory equipment and procedures. Regular Issues Programs that have been accepted for publication as Regular Issues in 1999 include a gas chromatography simulation for Windows 95 by Bruce Armitage, a collection of lessons on torsional rotation for organic chemistry students by Ronald Starkey, and a tutorial on pericyclic reactions, also for organic chemistry, by Albert Lee, C. T. So, and C. L. Chan. We have had many recent submissions and submissions of work in progress. In 1999 we will work with the authors and our peer-reviewers to complete and publish these submissions. Submissions include Multimedia Problems for General Chemistry by David Whisnant, lessons on point groups and crystallography by Margaret Kastner, et al., a mass spectrum simulator by Stephen W. Bigger and Robert A. Craig, a tutorial for introductory chemistry on determining the pH of very dilute acid and base solutions by Paul Mihas and George Papageorgiou, and many others. Also under development by the JCE Software staff are The General Chemistry Collection (instructor's edition) CD-ROM along with an updated student edition. An Invitation In collaboration with JCE Online we plan to make available in 1999 support files for JCE Software. These will include not only troubleshooting tips and technical support notes, but also supporting information such as lessons, specific

Recycling and recovery of post-consumer plastic solid waste in a European context

Directory of Open Access Journals (Sweden)

Dewil Raf

2012-01-01

Full Text Available The disposal of waste plastics has become a major worldwide environmental problem. The USA, Europe and Japan generate annually about 50 million tons of post-consumer plastic waste, previously landfilled, generally considered as a non-sustainable and environmentally questionable option. Landfill sites and their capacity are, moreover, decreasing rapidly, and legislation is stringent. Several European Directives and US legislation concern plastic wastes and the required management. They are briefly discussed in this paper. New processes have emerged, i.e., advanced mechanical recycling of plastic waste as virgin or second grade plastic feedstock, and thermal treatments to recycle the waste as virgin monomer, as synthetic fuel gas, or as heat source (incineration with energy recovery. These processes avoid land filling, where the non-biodegradable plastics remain a lasting environmental burden. The paper reviews these alternative options through mostly thermal processing (pyrolysis, gasification and waste-to-energy. Additional research is, however, still needed to confirm the potential on pilot and commercial scale. [Acknowledgments. The research was partly funded by the Fundamental Research Funds for the Central Universities RC1101 (PR China and partly funded by Project KP/09/005 (SCORES4CHEM Knowledge Platform of the Industrial Research Council of the KU Leuven (Belgium.

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.

International Symposium: “Scientific School of L.S. Vygotsky: Traditions and Innovations” and International ISCAR Summer University for PhD Students

Directory of Open Access Journals (Sweden)

Baykovskaya N.A.,

2016-12-01

Full Text Available The article represents a brief report on the work of the International Symposium: «Scientific School of L.S. Vygotsky: Traditions and Innovations» and VI th International ISCAR Summer University for PhD Students and young scholars, that were held in Moscow State University of Psychology & Education on June, 28 — July, 3 in 2016 in commemoration of the 120th anniversary of the great Russian psychologist L.S. Vygotsky. The main goals of the events organised by MSUPE include: analysis of the basic principles and the system of concepts of L.S. Vygotsky’s scientific school, discussion of the current state and the prospect for the development of the cultural-historical theory in Russia and abroad, integration of the ideas of the cultural-historical psychology and activity approach in various kinds of social and educational practices, as well as conducting research in the international scientific space. Symposium gathered the world’s leading experts and young scholars in the field of cultural-historical theory and activity approach from 19 countries, including United Kingdom, Australia, Switzerland, Greece, Brasil and USA.

Micromycetes on climbing roses leaves (Rosa L. in the Botanic Garden of the Jagiellonian University in Cracow

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Maria Kowalik

2015-08-01

Full Text Available Micromycetes inhabiting the leaves of 20 cultivars of climbing roses (Rosa L., grown in Botanic Garden of the Jagiellonian University in Cracow was investigated in the three successive years of research. Sixty-five taxa of of micromycetes was recorded with a few species dominating: Alternaria alternata, Epicoccum nigrum, Pestalotia rosae, Penicillium brevicompactum and Sordaria fimicola, accompanied by various other microfungi. A high abundance of rose black spot caused by Diplocarpon rosae was also observed. The affected leaves revealed advancing necrosis, substantially enhancing at the end of the growing season. Defoliation took place from June to October. Micromycetes inhabiting the leaves of climbing roses in Botanic Garden of the Jagiellonian University in Cracow considerably deteriorated the decorative aspect of the plants.

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

Stress response of Escherichia coli induced by surface streamer discharge in humid air

Czech Academy of Sciences Publication Activity Database

Doležalová, Eva; Prukner, Václav; Lukeš, Petr; Šimek, Milan

2016-01-01

Roč. 49, č. 7 (2016), č. článku 075401. ISSN 0022-3727 R&D Projects: GA MŠk(CZ) LD13010; GA MŠk(CZ) LD14080 Grant - others:European Cooperation in Science and Technology(XE) COST MP1101 Program:Materials, Physical and Nanosciences COST Action MP1101 Institutional support: RVO:61389021 Keywords : bacterial activity * culturability * dielectric barrier discharges (DBD) * lipid peroxidation * stress Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.588, year: 2016 http://iopscience.iop.org/article/10.1088/0022-3727/49/7/075401/meta

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

African Journals Online (AJOL)

NJD

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

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...

Exercises in Computational Chemistry

DEFF Research Database (Denmark)

Spanget-Larsen, Jens

2016-01-01

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

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

Chemical Reactions of Metal-Metal Bonded Compounds of the Transition Elements.

Science.gov (United States)

1981-05-18

F.A. Cotton, N.W. Extine and R.L. Kelly, J. Am. Chem. Soc., 100, 2256 (1978). 98 35. Idem, ibid, 101, 7645 (1979). 36. G.B. Ansell and L. Katz, Acta...Muetterties, J. Am. Chem. Soc., 100, 4107 (1978). 102. R.D. Adams , D.E. Collins and F.A. Cotton, J. Am. Chem. Soc., 96, 749 (1974). 103. D.G. DeWit, J.P... Adams , D.M. Collins and F.A. Cotton, Inorg. Chem., 13, 1086 (1974). 152. M.D. Curtis, K.R. Han and W.M. Butler, Inorg. Chem., 19, 2096 (1980). 153. W.I

Immunochemical characterization of temperature-regulated production of enterocin L50 (EntL50A and EntL50B), enterocin P, and enterocin Q by Enterococcus faecium L50.

Science.gov (United States)

Criado, Raquel; Gutiérrez, Jorge; Martín, María; Herranz, Carmen; Hernández, Pablo E; Cintas, Luis M

2006-12-01

Polyclonal antibodies with specificity for enterocin L50A (EntL50A), enterocin L50B (EntL50B), and enterocin Q (EntQ) produced by Enterococcus faecium L50 have been generated by immunization of rabbits with chemically synthesized peptides derived from the C terminus of EntL50A (LR1) and EntL50B (LR2) and from the complete enterocin Q (EntQ) conjugated to the carrier protein keyhole limpet hemocyanin (KLH). The sensitivity and specificity of these antibodies were evaluated by a noncompetitive indirect enzyme-linked immunosorbent assay (NCI-ELISA) and a competitive indirect ELISA (CI-ELISA). The NCI-ELISA was valuable for detecting anti-EntL50A-, anti-EntL50B-, and anti-EntQ-specific antibodies in the sera of the LR1-KLH-, LR2-KLH-, and EntQ-KLH-immunized animals, respectively. Moreover, these antibodies and those specific for enterocin P (EntP) obtained in a previous work (J. Gutiérrez, R. Criado, R. Citti, M. Martín, C. Herranz, M. F. Fernández, L. M. Cintas, and P. E. Hernández, J. Agric. Food Chem. 52:2247-2255, 2004) were used in an NCI-ELISA to detect and quantify the production of EntL50A, EntL50B, EntP, and EntQ by the multiple-bacteriocin producer E. faecium L50 grown at different temperatures (16 to 47 degrees C). Our results show that temperature has a strong influence on bacteriocin production by this strain. EntL50A and EntL50B are synthesized at 16 to 32 degrees C, but production becomes negligible when the growth temperature is above 37 degrees C, whereas EntP and EntQ are synthesized at temperatures ranging from 16 to 47 degrees C. Maximum EntL50A and EntL50B production was detected at 25 degrees C, while EntP and EntQ are maximally produced at 37 and 47 degrees C, respectively. The loss of plasmid pCIZ1 (50 kb) and/or pCIZ2 (7.4 kb), encoding EntL50A and EntL50B as well as EntQ, respectively, resulted in a significant increase in production and stability of the chromosomally encoded EntP.

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.

Defense AT And L Magazine. Vol. 47, No. 1, January February 2018

Science.gov (United States)

2018-01-01

available for em - ployees at all levels to engage with DoD personnel in a non- competitive, structured educational environment. Miscom- munication can...medical, fire, bomb , cyber attack, bio/ chem/rad) • Kidnap/ransom • Infrastructure • Power redundancy • Facilities hardening • Perimeter security...aly sis Th rea ts/ Ha za rd s Ris k i de nt ic ati on Mi tig ati on Em erg en cy op era tio ns Fu nc tio na l re sp on sib ilit ies Cr itic al fun

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.

Identification and characterization of trans-3-hydroxy-l-proline dehydratase and Δ1-pyrroline-2-carboxylate reductase involved in trans-3-hydroxy-l-proline metabolism of bacteria

Directory of Open Access Journals (Sweden)

Seiya Watanabe

2014-01-01

Full Text Available trans-4-Hydroxy-l-proline (T4LHyp and trans-3-hydroxy-l-proline (T3LHyp occur mainly in collagen. A few bacteria can convert T4LHyp to α-ketoglutarate, and we previously revealed a hypothetical pathway consisting of four enzymes at the molecular level (J Biol Chem (2007 282, 6685–6695; J Biol Chem (2012 287, 32674–32688. Here, we first found that Azospirillum brasilense has the ability to grow not only on T4LHyp but also T3LHyp as a sole carbon source. In A. brasilense cells, T3LHyp dehydratase and NAD(PH-dependent Δ1-pyrroline-2-carboxylate (Pyr2C reductase activities were induced by T3LHyp (and d-proline and d-lysine but not T4LHyp, and no effect of T3LHyp was observed on the expression of T4LHyp metabolizing enzymes: a hypothetical pathway of T3LHyp → Pyr2C → l-proline was proposed. Bacterial T3LHyp dehydratase, encoded to LhpH gene, was homologous with the mammalian enzyme. On the other hand, Pyr2C reductase encoded to LhpI gene was a novel member of ornithine cyclodeaminase/μ-crystallin superfamily, differing from known bacterial protein. Furthermore, the LhpI enzymes of A. brasilense and another bacterium showed several different properties, including substrate and coenzyme specificities. T3LHyp was converted to proline by the purified LhpH and LhpI proteins. Furthermore, disruption of LhpI gene from A. brasilense led to loss of growth on T3LHyp, d-proline and d-lysine, indicating that this gene has dual metabolic functions as a reductase for Pyr2C and Δ1-piperidine-2-carboxylate in these pathways, and that the T3LHyp pathway is not linked to T4LHyp and l-proline metabolism.

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

Calculated L-shell x-ray line intensities for proton and helium ion impact

International Nuclear Information System (INIS)

Cohen, D.D.; Harrigan, M.

1986-01-01

Theoretical L-shell X-ray line intensities have been calculated for proton and helium bombardment of atoms from nickel (Z 2 = 28) to curium (Z 2 = 96). The ionization cross sections for the three L subshells were obtained from the recent calculations by Cohen and Harrigan in the ECPSSR theory, which uses the plane-wave Born approximation (PWBA) with corrections for energy loss (E), Coulomb deflection (C), perturbed-stationary-state (PSS), and relativistic (R) effects. The fluorescence yields and Coster-Kronig transition probabilities were taken from M. O. Krause (Phys. Chem. Ref. Data 8, 307 (1979)) and the L-subshell emission rates from S. I. Salem, S. L. Panosian, and R. A. Krause (Atomic Data and Nuclear Data Tables 14, 91 (1974)). The line intensities Ll, Lα, Leta, Lβ 1 to Lβ 6 , Lβ/sub 9,10/, and Lγ 1 to Lgg 6 are tabulated for selected ion energies from 0.2 to 10 MeV

A theoretical study of porphyrin isomers and their core-modified ...

Indian Academy of Sciences (India)

Unknown

Harmjanz M, Gill H S and Scott M J 2000 J. Am. Chem. Soc. 122 10476; Anzenbacher P Jr, Jursikova. K and Sessler J L 2000 J. Am. Chem. Soc. 122 9350;. Gisselbrecht J P, Gross M, Vogel E and Sessler J L. 2000 Inorg. Chem. 39 2850; Anand V G, Pushpan S. K, Venkatraman S, Narayanan S J, Dey A,. Chandrashekar ...

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.

Etching of polymers, proteins and bacterial spores by atmospheric pressure DBD plasma in air

Czech Academy of Sciences Publication Activity Database

Kuzminova, A.; Kretková, T.; Kylián, O.; Hanuš, J.; Khalakhan, I.; Prukner, Václav; Doležalová, Eva; Šimek, Milan; Biederman, H.

2017-01-01

Roč. 50, č. 13 (2017), č. článku 135201. ISSN 0022-3727 R&D Projects: GA MŠk(CZ) LD13010 Grant - others:European Cooperation in Science and Technology(XE) COST MP1101 Program:Materials, Physical and Nanosciences COST Action MP1101 Institutional support: RVO:61389021 Keywords : dielectric barrier discharges (DBD) * bio-decontamination * etching * polymers * biomolecules * spores * surface treatment Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 2.588, year: 2016 http://iopscience.iop.org/article/10.1088/1361-6463/aa5c21/meta

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

Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds.

Science.gov (United States)

Lin, Arkadii; Horvath, Dragos; Afonina, Valentina; Marcou, Gilles; Reymond, Jean-Louis; Varnek, Alexandre

2018-03-20

This is, to our knowledge, the most comprehensive analysis to date based on generative topographic mapping (GTM) of fragment-like chemical space (40 million molecules with no more than 17 heavy atoms, both from the theoretically enumerated GDB-17 and real-world PubChem/ChEMBL databases). The challenge was to prove that a robust map of fragment-like chemical space can actually be built, in spite of a limited (≪10 5 ) maximal number of compounds ("frame set") usable for fitting the GTM manifold. An evolutionary map building strategy has been updated with a "coverage check" step, which discards manifolds failing to accommodate compounds outside the frame set. The evolved map has a good propensity to separate actives from inactives for more than 20 external structure-activity sets. It was proven to properly accommodate the entire collection of 40 m compounds. Next, it served as a library comparison tool to highlight biases of real-world molecules (PubChem and ChEMBL) versus the universe of all possible species represented by FDB-17, a fragment-like subset of GDB-17 containing 10 million molecules. Specific patterns, proper to some libraries and absent from others (diversity holes), were highlighted. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The selector gene Pax7 dictates alternate pituitary cell fates through its pioneer action on chromatin remodeling

NARCIS (Netherlands)

Budry, L.; Balsalobre, A.; Gauthier, Y.; Khetchoumian, K.; L'Honore, A.; Vallette-Kasic, S.; Brue, T; Figarella-Branger, D.; Meij, B.P.; Drouin, J.

2012-01-01

Genes Dev. 2012 Oct 15;26(20):2299-310. doi: 10.1101/gad.200436.112. The selector gene Pax7 dictates alternate pituitary cell fates through its pioneer action on chromatin remodeling. Budry L, Balsalobre A, Gauthier Y, Khetchoumian K, L'honoré A, Vallette S, Brue T, Figarella-Branger D, Meij B,

ARPA-NRL Laser Program - Semiannual Technical Report to Defense Advanced Research Projects Agency, 1 January 1974-30 June 1974

Science.gov (United States)

1975-04-01

Johnson and R.G, Fijw!’r, I. Chem. I’hys P. Millet , i. Salamero, n. Brunei, J. Goly, Ü. Bl.inc, and J, L. fuysslri...Chem Phys. 53, 1004 (1970). i «. wnem. ’Reference 4. ’P. Millet , Y. Salamero, H. Brunei, ,1. Galv. D. Blanc and J.L. reysster, J, Chem...1973) . 7. N. Djeu and R. Burnham, to be published. 8. P. Jean , M. Martin, J.P. Barrat, and J.L. Cojan, Compt. Rend. 264B, 609 (1967). 9. J.P

Phoenix dactylifera L.

African Journals Online (AJOL)

USER

2010-05-31

May 31, 2010 ... their use for flavoring foods, beverages and medication. (Vayalil, 2002). Minerals are .... Potassium is vital to cellular integrity and fluid balance as it plays an important role in .... mechanical pulp for bio-bleaching. Food Chem.

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.

L1 and L2 sub-shell fluorescence yields for elements with 64 ≤ Z ≤ 70

International Nuclear Information System (INIS)

Kumar, Anil; Puri, Sanjiv

2010-01-01

The L 1 and L 2 sub-shell fluorescence yields have been deduced for elements with 64 ≤ Z ≤ 70 from the L k (k = l, α, β 1,4 , β 3,6 , β 2,15,9,10,7 , γ 1,5 and γ 2,3,4 ) X-ray production cross sections measured at 22.6 keV incident photon energy using a spectrometer involving a disc type radioisotope of Cd 109 as a photon source and a Peltier cooled X-ray detector. The incident photon intensity, detector efficiency and geometrical factor have been determined from the K X-ray yields emitted from elemental targets with 20 ≤ Z ≤ 42 in the same geometrical setup and from knowledge of the K shell cross sections. The present deduced ω 1 (exp) values, for elements with 64 ≤ Z ≤ 70, are found to be in good agreement with those tabulated by Campbell (J.L. Campbell, Atom. Data Nucl. Data Tables 95 (2009) 115), where as these are, on an average, higher by 19% and 24% than those based on the Dirac-Hartree-Slater model (S. Puri et al., X-ray Spectrometry 22 (1993) 358) and the semi-empirical values compiled by Krause (M.O. Krause, J. Phys. Chem. Ref. Data 8 (1979) 307), respectively. The present deduced ω 2 (exp) values are found to be in good agreement with those based on the Dirac-Hartree-Slater model and are higher by up to ∼13% than the semi-empirical values for the elements under investigation.

L 1 and L 2 sub-shell fluorescence yields for elements with 64 ⩽ Z ⩽ 70

Science.gov (United States)

Kumar, Anil; Puri, Sanjiv

2010-05-01

The L 1 and L 2 sub-shell fluorescence yields have been deduced for elements with 64 ⩽ Z ⩽ 70 from the L k( k = l, α, β1,4, β3,6, β2,15,9,10,7, γ1,5 and γ2,3,4) X-ray production cross sections measured at 22.6 keV incident photon energy using a spectrometer involving a disc type radioisotope of Cd 109 as a photon source and a Peltier cooled X-ray detector. The incident photon intensity, detector efficiency and geometrical factor have been determined from the K X-ray yields emitted from elemental targets with 20 ⩽ Z ⩽ 42 in the same geometrical setup and from knowledge of the K shell cross sections. The present deduced ω1(exp) values, for elements with 64 ⩽ Z ⩽ 70, are found to be in good agreement with those tabulated by Campbell (J.L. Campbell, Atom. Data Nucl. Data Tables 95 (2009) 115), where as these are, on an average, higher by 19% and 24% than those based on the Dirac-Hartree-Slater model (S. Puri et al., X-ray Spectrometry 22 (1993) 358) and the semi-empirical values compiled by Krause (M.O. Krause, J. Phys. Chem. Ref. Data 8 (1979) 307), respectively. The present deduced ω2(exp) values are found to be in good agreement with those based on the Dirac-Hartree-Slater model and are higher by up to ˜13% than the semi-empirical values for the elements under investigation.

Quantum creation of an inflationary Universe

International Nuclear Information System (INIS)

Linde, A.D.

1984-01-01

The problem of quantum creation of the Universe is discussed. It is shown that the process of quantum creation of the Universe in a wide class on elementary particle theories leads with a high probability to the creation of an exponentially expanding (inflationary) Universe. Universe size after expansion should exceed l approximately 10 28 cm

Development of L. Kohlberg's idea of moral formation of cross-cultural universality of judgments in modern research

Directory of Open Access Journals (Sweden)

N.A. Baykovskaya

2013-07-01

Full Text Available We examine the ideas of foreign researchers (J. Gibbs, K. Basinger, J. Flavel, J. Snarey, who reconsider L. Kohlberg's statements on cognitive development, which forms the basis of moral judgments formation, recognizable usually across cultures. We show the intersection points for various contemporary approaches. We describe the results of empirical studies of moral judgments development in children of primary school age. The sample consisted of Moscow secondary schools students and students of National Jewish Education Center (total 367 people: 198 girls and 169 boys aged 8 to 10 years. We used method of presentation of moral dilemma situations. The study results confirm the relevance of L. Kohlberg main statements on the content of pre-conventional level of moral reasoning in children, on the laws of transition to conventional level. They also demonstrate the features of interpretation of crosscultural universality, discussed by modern foreign authors.

Open University

CERN Multimedia

Pentz,M

1975-01-01

Michel Pentz est née en Afrique du Sud et venu au Cern en 1957 comme physicien et président de l'associaion du personnel. Il est également fondateur du mouvement Antiapartheid de Genève et a participé à la fondation de l'Open University en Grande-Bretagne. Il nous parle des contextes pédagogiques, culturels et nationaux dans lesquels la méthode peut s'appliquer.

On the Need for Multiple Lists of Chemical Information

Directory of Open Access Journals (Sweden)

Jonathan Goodman

2000-01-01

Full Text Available Cambridge University Department of Chemistry has a list of University Chemistry Departments and Chemistry-related journals around the world: ChemSites (http://www.ch.cam.ac.uk/ChemSitesIndex.html. This article describes what makes it distinct from other lists, and justifies the existence of more than one such list.

Humidity control as a strategy for lattice optimization applied to crystals of HLA-A*1101 complexed with variant peptides from dengue virus

International Nuclear Information System (INIS)

Chotiyarnwong, Pojchong; Stewart-Jones, Guillaume B.; Tarry, Michael J.; Dejnirattisai, Wanwisa; Siebold, Christian; Koch, Michael; Stuart, David I.; Harlos, Karl; Malasit, Prida; Screaton, Gavin; Mongkolsapaya, Juthathip; Jones, E. Yvonne

2007-01-01

Crystals of an MHC class I molecule bound to naturally occurring peptide variants from the dengue virus NS3 protein contained high levels of solvent and required optimization of cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process facilitated by the use of a free-mounting system. T-cell recognition of the antigenic peptides presented by MHC class I molecules normally triggers protective immune responses, but can result in immune enhancement of disease. Cross-reactive T-cell responses may underlie immunopathology in dengue haemorrhagic fever. To analyze these effects at the molecular level, the functional MHC class I molecule HLA-A*1101 was crystallized bound to six naturally occurring peptide variants from the dengue virus NS3 protein. The crystals contained high levels of solvent and required optimization of the cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process that was facilitated by the use of a free-mounting system

Humidity control as a strategy for lattice optimization applied to crystals of HLA-A*1101 complexed with variant peptides from dengue virus

Energy Technology Data Exchange (ETDEWEB)

Chotiyarnwong, Pojchong [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Stewart-Jones, Guillaume B.; Tarry, Michael J. [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Dejnirattisai, Wanwisa [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Siebold, Christian; Koch, Michael; Stuart, David I.; Harlos, Karl [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Malasit, Prida [Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Medical Biotechnology Unit, National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency, Pathumthani, Bangkok (Thailand); Screaton, Gavin [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Mongkolsapaya, Juthathip, E-mail: j.mongkolsapaya@imperial.ac.uk [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Jones, E. Yvonne, E-mail: j.mongkolsapaya@imperial.ac.uk [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom)

2007-05-01

Crystals of an MHC class I molecule bound to naturally occurring peptide variants from the dengue virus NS3 protein contained high levels of solvent and required optimization of cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process facilitated by the use of a free-mounting system. T-cell recognition of the antigenic peptides presented by MHC class I molecules normally triggers protective immune responses, but can result in immune enhancement of disease. Cross-reactive T-cell responses may underlie immunopathology in dengue haemorrhagic fever. To analyze these effects at the molecular level, the functional MHC class I molecule HLA-A*1101 was crystallized bound to six naturally occurring peptide variants from the dengue virus NS3 protein. The crystals contained high levels of solvent and required optimization of the cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process that was facilitated by the use of a free-mounting system.

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

Evidence from adult L1 Afrikaans L2 French

African Journals Online (AJOL)

results of this study show that a large number of the L2 learners had indeed acquired ... position in V2-languages (such as German) and in third position in non-V2 ... L1, allows construction types x and y but he will have no problem acquiring .... Modern Foreign Languages at Stellenbosch University at the time of testing.

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)

Compte-rendu des journées des rencontres orales en ligne pour l'apprentissage les 22-23 juin 2007, The Open University, Royaume-Uni

Directory of Open Access Journals (Sweden)

Marie-Noëlle Lamy

2008-06-01

Full Text Available L'association Baal-CUP (British Association for Applied Linguistics avec Cambridge University Press http://www.baal.org.uk/ finance régulièrement des journées destinées à susciter des débats entre une vingtaine de chercheurs très actifs d'un domaine bien ciblé. Soutenue par Baal-CUP, l'Open Universitya organisé en juin dernier deux journées sur le thème des rencontres orales en ligne pour l'apprentissage (Spoken Online Learning Events ou Sole. Sole a réuni principalement mais non exclusivem...

Analysis of Turkey’s Institutional Open Repositories: An Example of Dokuz Eylül University Institutional Open Repository

Directory of Open Access Journals (Sweden)

Korhan Levent Ertürk

2012-03-01

Full Text Available After the declaration of the Budapest Open Access Initiative in 2001, institutional open repositories are known as the most important tool of the self archiving, which is also known as green road. There are 26 institutional repositories, which are all compatible to international standards. All the institutional open repositories of Turkey mentioned before are listed in international open archive directories. In this study institutional open repository of Dokuz Eylül University is examined and institutional open repositories of Turkey are discussed.

Discourse Connectives in L1 and L2 Argumentative Writing

Science.gov (United States)

Hu, Chunyu; Li, Yuanyuan

2015-01-01

Discourse connectives (DCs) are multi-functional devices used to connect discourse segments and fulfill interpersonal levels of discourse. This study investigates the use of selected 80 DCs within 11 categories in the argumentative essays produced by L1 and L2 university students. The analysis is based on the International Corpus Network of Asian…

Universities Need Leadership, Academics Need Management: Discursive Tensions and Voids in the Deregulation of Swedish Higher Education Legislation

Science.gov (United States)

Ekman, Marianne; Lindgren, Monica; Packendorff, Johann

2018-01-01

In this article, we discuss how "managerialist" and "leaderist" discourses (O'Reilly and Reed "Public Administration" 88:960-978, 2010; "Organization Studies" 32:1079-1101, 2011) are drawn upon in the context of the deregulation of Swedish higher education. As of 2011, there has been new legislation that…

Novel approach for optimization of fermentative condition for ...

African Journals Online (AJOL)

Jane

2011-07-20

Jul 20, 2011 ... School of Biochemical Engineering, Institute of Technology, Banaras Hindu University ... been applied for the optimization of a few biochemical ..... Methanol by Methylo bacterium Extorquens DSMZ. 1340. Iran J. Chem. Chem.

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.

Selection of the DC-60 cyclotron as the basic facility for the Inter-disciplinary research complex in the L.N. Gumilev Eurasian State University. Chapter 2

International Nuclear Information System (INIS)

2003-01-01

In the Chapter 2 the DC-60 specialized accelerator project of the Inter-disciplinary research complex in the L.N. Gumilev Eurasian State University is described. The DC-60 cyclotron is intended for applied studies which can be accomplished on both the ion beams of the electron cyclotron resonance source with voltage up to 25 kV and the accelerated ions from carbon to xenon. The cyclotron is design on the base of compact magnet with weight about 74 tonnes, and it mean magnetic field is 1.6 T, section angle - 50 Deg. Design of the Inter-disciplinary research complex building in the L.N. Gumilev Eurasian State University is described as well. Technical performances of the building and their parameters are given

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.

Blending Chem-Bio Dispersion Forecasts and Sensor Data

Science.gov (United States)

2008-12-31

Kerrie Long. 5d. PROJECT NUMBER N/A 5e. TASK NUMBER N/A 5f. WORK UNIT NUMBER N/A 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) CUBRC ...Acknowlegments I gratefully acknowledge the efforts of the team of faculty, consultants and graduate students from CUBRC , the University at Buffalo, the...Moskal, CUBRC Alex James, CUBRC 3.5 Graduate Students Umamaheswara Reddy, Dept. Mechanical Engineering, University at Buffalo Gabriel Terejanu

L1/L2 Differences in the Acquisition of Form-Meaning Pairings in a Second Language

Science.gov (United States)

McManus, Kevin

2015-01-01

This paper examines the impact of L1/L2 form-meaning differences in the domain of aspect to investigate whether L2 learners are able to acquire properties of the L2 that are different from the L1. Oral data were collected from English- and German-speaking university learners of French L2 (n = 75) at two different levels of proficiency. The results…

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...

Tools to probe the universe; Des outils pour sonder l'univers

Energy Technology Data Exchange (ETDEWEB)

Lagage, P.O.; Augueres, J.L.; Amiaux, J.; Cara, Ch.; Fontignie, J.; Rio, Y.; Fermon, C.; Pannetier-Lecoeur, M.; De Vismes, A.; Cordier, B.; Fesquet, M.; Ferrando, Ph.; Authier, M.; Pantin, E.; Glicenstein, J.F.; Boulade, O.; Refregier, A.; Stolarczyk, Th.; Agnese, P.; Rodriguez, L.; Agnese, P.; Pigot, C.; Duband, L.; Limousin, O.; Delagnes, E.; Turck-Chieze, S.; Carton, P.H.; Starck, J.L.; Bournaud, F.; Teyssier, R.; Audit, E.; Brun, A.S.; Leca, P.; Menache, Ch.; Pomarede, D.; Thooris, B.; Meis, C.

2009-07-01

This special issue of Clefs CEA journal is entirely devoted to astrophysics and to the exploration and probing of the Universe. The second part of this dossier, described here, makes a status of the tools used to probe the universe: telescopes, imaging spectrometers, data processing and simulation. Content: A - Telescopes of the future: 1. Seeing further out: JWST: looking back on a past 13 billion years old, Space specifics: the learning curve to know-how, Fabricating a corona-graph mask, SVOM, a satellite to detect the explosions of the first stars to be formed in the Universe; 2. Seeing more precisely: SIMBOL-X, pioneering formation flying, ELT/METIS, a 42-meter giant, One hundred telescopes for the CTA arrays; 3. Seeing wider: Euclid, mapping the extragalactic sky, ANTARES: the neutrino, another cosmic messenger; B - The new generation of imaging spectrometers: Observing the Universe in the submillimeter spectral region, The X-ray Universe, Space cryo-coolers, Out in the extreme, tumultuous Universe, Probing the Sun with GOLF-NG, Focus: From light to imagery; C - Data analysis in astrophysics; D - Numerical simulation in astrophysics: Information technology and theoretical predictions in astrophysics, Supercomputers for a better understanding of the Universe, The visualization of astrophysical simulations, Godunov, a numerical platform for education and research

Why are [P(C6H5)4]+N3- and [As(C6H5)4]+N3- Ionic Salts and Sb(C6H5)4N3 and Bi(C6H5)4N3 are Covalent Solids? A Theoretical Study Provides an Unexpected Answer

Science.gov (United States)

2011-03-04

Research, the Defense Threat Reduction Agency, and the Department of Energy. DAD is indebted to the Robert Ramsay Endowment of the University of Alabama...Schmidt, M. W., Baldridge, K. K., Boatz, J.A., Elbert, S.T., Gordon , M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L...Dupuis, M., Montgomery, J.A.; J. Comput. Chem., 1993, 14, 1347-1363.; Gordon , M. S., Schmidt, M. W., pp. 1167-1189, in "Theory and Applications of

Detecting and Targeting Oncogenic Myc in Breast Cancer

Science.gov (United States)

2007-06-01

JPO2, with transforming activity in medulloblastoma cells. Cancer Res 2005, 65(13), 5607–5619. 58. Osthus RC, Karim B, Prescott JE, et al. The Myc...59. Prescott JE, Osthus RC, Lee LA, et al. A novel c-Myc- responsive gene, JPO1, participates in neoplastic transformation. J Biol Chem 2001, 276(51...Department of Medical Genetics and Microbiology , University of Toronto, 112 College Street, Toronto ON M5G 1L6, Canada 3 The Wistar Institute, 3601 Spruce

A universalidade em grande sertão: veredas e a noção de gramatica universaL

Directory of Open Access Journals (Sweden)

Lorenzo VITRAL

2009-07-01

Full Text Available Este artigo propõe uma reflexão sobre a sintaxe criada por Guimarães Rosa na sua obra-prima Grande sertão: veredas, Admite-se normalmente que sua linguagem utiliza volteios e estruturas provenientes de línguas estrangeiras, de certos dialetos falados do português do Brasil e de estágios históricos do português, Propomos que esses recursos são tão-somente elementos que incitam mecanismos da Gramática Universal, isto é, a entidade teórica proposta na teoria da Gramática Gerativa.

A universalidade em grande sertão: veredas e a noção de gramatica universaL

Directory of Open Access Journals (Sweden)

Lorenzo VITRAL

2013-11-01

Full Text Available Este artigo propõe uma reflexão sobre a sintaxe criada por Guimarães Rosa na sua obra-prima Grande sertão: veredas, Admite-se normalmente que sua linguagem utiliza volteios e estruturas provenientes de línguas estrangeiras, de certos dialetos falados do português do Brasil e de estágios históricos do português, Propomos que esses recursos são tão-somente elementos que incitam mecanismos da Gramática Universal, isto é, a entidade teórica proposta na teoria da Gramática Gerativa.

Rotating universe models

International Nuclear Information System (INIS)

Tozini, A.V.

1984-01-01

A review is made of some properties of the rotating Universe models. Godel's model is identified as a generalized filted model. Some properties of new solutions of the Einstein's equations, which are rotating non-stationary Universe models, are presented and analyzed. These models have the Godel's model as a particular case. Non-stationary cosmological models are found which are a generalization of the Godel's metrics in an analogous way in which Friedmann is to the Einstein's model. (L.C.) [pt

Punctuation and Capitalization in Text Messages Sent from Traditional Mobile Phones versus Smartphones: Implications for Higher Education

Science.gov (United States)

Johnson, Genevieve

2016-01-01

Technology often mediates, and thus influences, written language conventions such as punctuation and capitalization. Fifty university students sent two text messages, one with an alphanumeric multi-press keypad mobile phone (i.e., Nokia 1101) and another with a full QWERTY keypad smartphone (i.e., Apple iPhone 4). Compared to text messages sent…

Watching Conformations of Biomolecules: a Microwave Spectroscopy Approach

Science.gov (United States)

Lopez, J. C.

2011-06-01

The combination of laser ablation with Fourier transform microwave spectroscopy in supersonic jets (LA-MB-FTMW) has made possible the gas-phase study of solid biomolecules with high melting points. In the experiment, solids are efficiently vaporized by a high-energy laser pulse, supersonically expanded into a evacuated Fabry-Perot cavity and characterised by their rotational spectra. Recent improvements such as the use of picosecond pulse lasers, new ablation nozzles and the extension of the range of the spectrometers to low frequecy have notably increased the sensitivity of our experimental setup. To date different α-, β- and γ-amino acids have been studied using this technique, making possible the characterization of their preferred conformations and gaining insight in the role of intramolecular interactions. Even in conformationally challenging systems the different rotamers of such biomolecules can be identified by rotational spectroscopy as can be illustrated by the assignment of six low-energy conformers in cysteine and aspartic acid, seven in serine and threonine,^a and nine in γ-amino butyric acid (GABA). In all cases the low-energy conformers have been conclusive identified from their experimental rotational and 14N quadrupole coupling constants. The spectra of neurotransmitters and of the nucleic acid bases uracil, thymine, cytosine and guanine have also been studied and their preferred conformers or tautomeric forms determined. The complexes between amino acids and nucleic acid bases with water have also been investigated to obtain information on the possible changes induced in the conformational or tautomeric preferences by the addition of solvent molecules. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11, 617-627 (2009) and references therein M. E. Sanz, J. C. López, J. L. Alonso, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010) S. Blanco, J. C. López, S. Mata and J. L. Alonso, Angew. Chem. Int. Ed. 49, 9187

Solid Phase Synthesis of Polymacromer and Copolymacromer Brushes

Science.gov (United States)

2012-04-25

between immiscible polymers, which dictates the volume in which the interfacial reaction can occur, depends on the nature of thermodynamic interactions...Y.; Beers , K. L.; Byrd, H. C. M.; VanderHart, D. L.; Washburn, N. R. J. Am. Chem. Soc. 2004, 126, 3472−3476. (4) Merrifield, R. B. J. Am. Chem. Soc...Hartmann, L.; Krause, E.; Antonietti, M.; Boerner, H. G. Biomacromolecules 2006, 7, 1239−1244. (16) Mei, Y.; Beers , K. L.; Byrd, H. C. M.; VanderHart, D. L

L-shell ionization studies of Pb and Bi with α particles

International Nuclear Information System (INIS)

Dhal, B.B.; Nandi, T.; Padhi, H.C.

1994-01-01

Ionization cross sections for the L subshells of Pb and Bi by α-particle bombardment (2.2--8.2 MeV) have been determined from the experimental data and the currently available radiative transition probabilities, fluorescence yields, and Coster-Kronig factors. The measured ionization cross sections and their ratios are compared with the results of ECPSSR calculations [ECPSSR denotes perturbed-stationary-state (PSS) theory with energy-loss (E), Coulomb deflection (C), and relativistic (R) corrections]. The measured individual cross sections for L 1 and L 2 subshells deviated in opposite directions from the theory, whereas their sum shows good agreement. The L 3 and total ionization cross sections obtained from the data also show good agreement with the ECPSSR theory. The ionization cross-section ratios σ L1 /σ L2 and σ L3 /σ L2 show large deviations from the ECPSSR theory. The experimental x-ray production cross-section ratios are found to be in better agreement with the theoretical results obtained from using ECPSSR ionization cross sections and the decay yield data of Xu and Xu [J. Phys. B 25, 695 (1992)] rather than those obtained from using the decay yield data of Krause [J. Phys. Chem. Ref. Data 8, 307 (1979)]. The x-ray production cross sections, however, are in better agreement with the theoretical results obtained from using the decay yield data of Krause. The measured centroid energy of the Lγ lines of Pb shows large deviations at high projectile energy, whereas for Bi large deviations are found at the low-energy region

Peak career in world-ranked swimmers: Age’s analysis of 2008 Beijing Olympic Games participants

OpenAIRE

Tiago M. Barbosa; Mário J. Costa; Erik Mejias; Daniel A. Marinho; Hugo Louro; António J. Silva

2013-01-01

The aim of this paper was to: (i) describe the Beijing 2008 Olympic Games swimmer’s ages and; (ii) compare ages according to swimmer’s gender. It was analyzed 1101 inscriptions (588 men and 513 women) for all swimming events held at the Beijing 2008 Olympic Games: 50 meters freestyle (L50), 100 meters freestyle (L100), 200 meters freestyle (L200), 400 meters freestyle (L400), 800 meters freestyle (L800, only women) 1500 meters freestyle (L1500, only men), 100 meters backstroke (C100), 200 met...

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.

Artichoke (Cynara cardunculus L. var. scolymus) waste as a natural source of carbonyl trapping and antiglycative agents.

Science.gov (United States)

Maietta, Mariarosa; Colombo, Raffaella; Lavecchia, Roberto; Sorrenti, Milena; Zuorro, Antonio; Papetti, Adele

2017-10-01

The role of polyphenolic compounds extractable from artichoke solid wastes in the formation of advanced glycation end products (AGEs) was studied. Outer bracts and stems were extracted using different water-ethanol mixtures and HPLC-DAD analyses indicated aqueous and hydro-alcoholic 20:80 stem extracts as the richest in polyphenols. The samples were characterized in their phenolic composition (using mass spectrometry) and antioxidant capacity. Antiglycative capacity was evaluated by in vitro BSA-sugars (glucose, fructose, and ribose) and BSA-methylglyoxal (MGO) tests, formation of Amadori products assay, direct glyoxal (GO) and MGO trapping capacity. Results indicated both extracts as effective inhibitors of fructosamine formation and antiglycative agents. In particular, aqueous extract showed the best activity in the systems containing glucose and fructose, differently from ethanolic extract, that was demonstrated able to better inhibit AGEs formation when ribose or MGO act as precursors. Ethanolic extract was also shown to be able to trap MGO and GO, with efficiency increasing after 24hours of incubation time. These activities are partially correlated with the antioxidant effect of the extract, as demonstrated by the scavenger capacity against ABTS cation and DPPH stable radicals; this relationship is evident when the model system, containing protein incubated with ribose or MGO, is considered. The different activities of the tested extracts could probably be ascribed to the different composition in chlorogenic acids (CQAs), being aqueous extract richer in 1-CQA, 3-CQA, and 1,3-di-CQA, and ethanolic extract in 5-CQA, caffeic acid, 1,5-di-CQA. These findings support further investigations to study the stability of the different CQAs in simil-physiological conditions and the feasibility of artichoke waste as antiglycative agents in food or pharmacological preparations. 5-caffeoylquinic acid (PubChem CID 5280633); 3-caffeoylquinic acid (PubChem CID 1794427); 1

Identification of cross-linked amino acids in the protein pair HmaL23-HmaL29 from the 50S ribosomal subunit of the archaebacterium Haloarcula marismortui.

Science.gov (United States)

Bergmann, U; Wittmann-Liebold, B

1993-03-23

50S ribosomal subunits from the extreme halophilic archaebacterium Haloarcula marismortui were treated with the homobifunctional protein-protein cross-linking reagents diepoxybutane (4 A) and dithiobis(succinimidyl propionate) (12 A). The dominant product with both cross-linking reagents was identified on the protein level as HmaL23-HmaL29, which is homologous to the protein pair L23-L29 from Escherichia coli [Walleczek, J., Martin, T., Redl, B., Stöffler-Meilicke, M., & Stöffler, G. (1989) Biochemistry 28, 4099-4105] and from Bacillus stearothermophilus [Brockmöller, J., & Kamp, R. M. (1986) Biol. Chem. Hoppe-Seyler 367, 925-935]. To reveal the exact cross-linking site in HmaL23-HmaL29, the cross-linked complex was purified on a preparative scale by conventional and high-performance liquid chromatography. After endoproteolytic fragmentation of the protein pair, the amino acids engaged in cross-link formation were unambiguously identified by N-terminal sequence analysis and mass spectrometry of the cross-linked peptides. The cross-link is formed between lysine-57 in the C-terminal region of HmaL29 and the alpha-amino group of the N-terminal serine in protein HmaL23, irrespective of the cross-linking reagent. This result demonstrates that the N-terminal region of protein HmaL23 and the C-terminal domain of HmaL29 are highly flexible so that the distance between the two polypeptide chains can vary by at least 8 A. Comparison of our cross-linking results with those obtained with B. stearothermophilus revealed that the fine structure within this ribosomal domain is at least partially conserved.

Recent results from the L3 Collaboration

International Nuclear Information System (INIS)

Ting, S.C.C.

1993-01-01

In this report we summarize the recent results from the L3 Collaboration. The L3 Collaboration is one of the largest international collaborations in high energy physics and consists of many universities from the United States including University of Michigan, M.I.T., Caltlech, Princeton and Harvard, and leading research centers from France, Germany, Switzerland, Holland, India, China, Korea, Russia and other nations

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

Fulltext PDF

Indian Academy of Sciences (India)

TECS

(a) Gearheart L A, Somoza M M, Rivers W E, Mur- phy C J, Coleman R S and Berg M A 2003 J. Am. Chem. Soc. 125 11812; (b) Brauns E B, Madaras M. L, Coleman R S and Berg M A 2002 Phys. Rev. Lett. 88 158101-1-4. 19. Frauchiger L, Shirota H, Uhrich K E and Castner E. W Jr 2002 J. Phys. Chem. B106 7463. 20.

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

Untitled

African Journals Online (AJOL)

Ley, S.V.; Woodward, P.R. Tetrahedron Letters 1987, 28, 345. 9. Labelled reagents were bought from Aldrich Chemical Company. 10. Davidson, D.; Bernhard, S.A. J. Am. Chem. Soc. 1948, 70, 3426; Philhaja, K.; Sielo,. M. Acta Chem. Scand. 1968, 22, 3053. 11. Baig, M.V.A.; Owen, L.N. J. Chem. Soc. /C 1966, 540: Neises, ...

antimycobacterial and cytotoxicity evaluation of the constituents of ...

African Journals Online (AJOL)

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AKT/mTOR pathway and S phase cell cycle arrest in HepG2 cells. Food. Chem. 138: 1034-1041. Chen T, He J, Zhang J, Li X, Zhang H, Hao. J, Li L 2012 The isolation and identification of two compounds with predominant radical scavenging activity in hempseed (seed of Cannabis sativa. L.). Food Chem. 134: 1030-1037.

Attitudes held by Setswana L1-speaking university students toward ...

African Journals Online (AJOL)

Respondents believed that their L1 had limitations in wider society; and that it had prestige, albeit a covert one. Generally, they held favourable attitudes toward their L1. Further comprehensive research needs to be done to explore these new variables, as well as to explore their statistical significance in language attitude ...

Evidence for a race-specific resistance factor in some lettuce (Lactuca sativa L.) cultivars previously considered to be universally susceptible to Bremia lactucae regel.

Science.gov (United States)

Crute, I R; Lebeda, A

1981-05-01

Previously undetected race-specific resistance to Bremia lactucae (downy mildew) was located in many lettuce cultivars hitherto considered to be universally susceptible to this disease. This resistance factor(s) may also be widely distributed in other cultivars known to carry combinations of already recognised factors R1 to R11. Specific virulence to match this resistance is almost invariably present in pathogen collections. This situation may be either a relic of the evolutionary history of the B. lactucae - L. sativa asssociation or may reflect a rare mutation in B. lactucae for avirulence on all but a few specialised L. sativa genotypes.

The Pollution Of Science: Plagiarism & Predatory Journal

OpenAIRE

Abdelkrim CHERITI

2015-01-01

In 2013 we denounced a case of plagiarism, a stupid copy and paste of our article published since 2012 in this journal (PhytoChem & BioSub Journal Vol. 6 N° 2, 83-87, 2012) by another “ scientists” - teaching in Tlemcen and Bechar universities, L. Ziane, H. A. Lazouni, A. Moussaoui, N. Hamidi - and published in Asian Journal of Natural & Applied Sciences, Vol. 2(1), 5-9, 2013 (www. leena-luna.co.jp). A journal with editorial board but the editor chief is anonymous. the same "au...

Effect of the initial stage of annealing on modeling of enthalpy relaxation in a hyperquenched glass

DEFF Research Database (Denmark)

Zhang, Yanfei; Guo, Xiaoju; Yue, Yuanzheng

2013-01-01

One of the major challenges in glass relaxation study is to establish a universal model describing the enthalpy relaxation in both the hyperquenched glass (HQG) (i.e., far from equilibrium) and the partially annealed hyperquenched glass(AHQG). In particular, the detailed features of the enthalpy ...... proposed composite relaxation function [L. Hornboell, et al., Chem. Phys. Lett. 1-3 (2010) 37] is a reasonable approach for describing those features. In addition, our modeling results imply that the structural heterogeneity plays a crucial role in relaxation of HQG....

9 CFR 151.9 - Recognized breeds and books of record.

Science.gov (United States)

2010-01-01

... By whom published 1101 Aberdeen-Angus Aberdeen-Angus Herd Book Aberdeen-Angus Cattle Society, Hugh R... Aberdeen-Angus Herd Book New Zealand Aberdeen-Angus Cattle Breeders' Association, Post Office Box 83, Hastings, New Zealand. 116 ......do Irish Angus Herd Book Irish Angus Cattle Society Ltd., John L. Murphy...

A search for cyanopolyynes in L1157-B1

Science.gov (United States)

Mendoza, Edgar; Lefloch, B.; Ceccarelli, C.; Kahane, C.; Jaber, A. A.; Podio, L.; Benedettini, M.; Codella, C.; Viti, S.; Jimenez-Serra, I.; Lepine, J. R. D.; Boechat-Roberty, H. M.; Bachiller, R.

2018-04-01

We present here a systematic search for cyanopolyynes in the shock region L1157-B1 and its associated protostar L1157-mm in the framework of the Large Program`Astrochemical Surveys At IRAM' (ASAI), dedicated to chemical surveys of solar-type star-forming regions with the IRAM 30-m telescope. Observations of the millimeter windows between 72 and 272 GHz permitted the detection of HC3N and its 13C isotopologues, and HC5N (for the first time in a protostellar shock region). In the shock, the analysis of the line profiles shows that the emission arises from the outflow cavities associated with L1157-B1 and L1157-B2. Molecular abundances and excitation conditions were obtained from the analysis of the Spectral Line Energy Distributions under the assumption of Local Thermodynamical Equilibrium or using a radiative transfer code in the Large Velocity Gradient approximation. Towards L1157 mm, the HC3N emission arises from the cold envelope (T_rot=10K) and a higher-excitation region (Trot = 31K) of smaller extent around the protostar. We did not find any evidence of 13C or D fractionation enrichment towards L1157-B1. We obtain a relative abundance ratio HC3N/HC5N of 3.3 in the shocked gas. We find an increase by a factor of 30 of the HC3N abundance between the envelope of L1157-mm and the shock region itself. Altogether, these results are consistent with a scenario in which the bulk of HC3N was produced by means of gas phase reactions in the passage of the shock. This scenario is supported by the predictions of a parametric shock code coupled with the chemical model UCL_CHEM.

Asian International Students at an Australian University: Mapping the Paths between Integrative Motivation, Competence in L2 Communication, Cross-Cultural Adaptation and Persistence with Structural Equation Modelling

Science.gov (United States)

Yu, Baohua

2013-01-01

This study examined the interrelationships of integrative motivation, competence in second language (L2) communication, sociocultural adaptation, academic adaptation and persistence of international students at an Australian university. Structural equation modelling demonstrated that the integrative motivation of international students has a…

77 FR 17038 - Notice of Intent To Prepare an Environmental Impact Statement/Overseas Environmental Impact...

Science.gov (United States)

2012-03-23

... Engineering Command, Northwest, 1101 Tautog Circle, Suite 203, Silverdale, Washington 98315-1101, Attention... FURTHER INFORMATION CONTACT: Ms. Kimberly Kler, Naval Facilities Engineering Command, Northwest, 1101 Tautog Circle, Suite 203, Silverdale, [[Page 17039

Central extensions of cotangent universal hierarchy: (2+1)-dimensional bi-Hamiltonian systems

International Nuclear Information System (INIS)

Sergyeyev, Artur; Szablikowski, Blazej M.

2008-01-01

We introduce the cotangent universal hierarchy that extends the universal hierarchy from [L. Martinez Alonso, A.B. Shabat, Phys. Lett. A 300 (1) (2002) 58, (nlin.SI/0202008); A.B. Shabat, Theor. Math. Phys. 136 (2003) 1066; L. Martinez Alonso, A.B. Shabat, J. Nonlinear Math. Phys. 10 (2) (2003) 229, (nlin.SI/0310036); L. Martinez Alonso, A.B. Shabat, Theor. Math. Phys. 140 (2) (2004) 1073, (nlin.SI/0312043); A. Shabat, J. Nonlinear Math. Phys. 12 (Suppl. 1) (2005) 614]. Then we construct a (2+1)-dimensional double central extension of the cotangent universal hierarchy and show that this extension is bi-Hamiltonian. This yields, as a byproduct, the central extension of the original universal hierarchy

The Use of Optical Electronegativities to Assign Electronic Spectra of Semiquinone Complexes

Science.gov (United States)

1990-08-03

Auburn, E.S. Dodsworth, M. Haga, W. Liu, M. Melnik and W.A. Nevin, J. Am. Chem. Soc. 110 (1988) 8076. 8. C. Benelli, A. Dei, D. Gatteschi and L. Pardi...Inorg. Chim. Acta 163 (1989) 99. 9. C. Benelli, A. Dei, D. Gatteschi and L. Pardi, Inorg. Chem. 28 (1989) 1476. 10. C. Benelli, A. Dei, D. Gatteschi , H.U

The Metacognitive Strategic Knowledge of Seven Successful Chinese L1 Readers at a North American University: A Qualitative Study

Directory of Open Access Journals (Sweden)

Alex Poole

2012-12-01

Full Text Available This study examined the metacognitive strategic knowledge possessed by Chinese and Taiwanese ESL learners (N=7 studying at a North American university. Specifically, it sought to discover the factors that influence their decisions about whether or not to use reading strategies. However, instead of analyzing participants’ use of individual strategies, it looked at the common themes which influenced their overall strategy use. In order to do so, participants first filled out a 30-item quantitative survey called the Survey of Reading Strategies (SORS (Mokhtari & Sheorey, 2002. They then wrote justifications for their responses to each item. The results showed that time, memory, and text comprehension influenced participants’ strategy selection. In addition, the content of the text and its length and difficulty also influenced strategy use. Finally, learners avoided certain strategies because they simply did not like them. Pedagogical implications for Chinese L1 students planning to study at the university level in the United States or other majority English-speaking countries are discussed, as are areas for future research.

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.

Suppression of elongation and growth of tomato seedlings by auxin biosynthesis inhibitors and modeling of the growth and environmental response.

Science.gov (United States)

Higashide, Tadahisa; Narukawa, Megumi; Shimada, Yukihisa; Soeno, Kazuo

2014-04-02

To develop a growth inhibitor, the effects of auxin inhibitors were investigated. Application of 30 μM L-α-aminooxy-β-phenylpropionic acid (AOPP) or (S)-methyl 2-((1,3-dioxoisoindolin-2-yl)oxy)-3-phenylpropanoate (KOK1101), decreased the endogenous IAA levels in tomato seedlings at 8 days after sowing. Then, 10-1200 μM AOPP or KOK1101 were sprayed on the leaves and stem of 2-3 leaf stage tomato plants grown under a range of environmental conditions. We predicted plant growth and environmental response using a model based on the observed suppression of leaf enlargement. Spraying AOPP or KOK1101 decreased stem length and leaf area. Concentration-dependent inhibitions and dose response curves were observed. Although the effects of the inhibitors on dry weight varied according to the environmental conditions, the net assimilation rate was not influenced by the inhibitors. Accordingly, the observed decrease in dry weight caused by the inhibitors may result from decreased leaf area. Validation of the model based on observed data independent of the dataset showed good correlations between the observed and predicted values of dry weight and leaf area index.

Learner Beliefs about Sociolinguistic Competence: A Qualitative Case Study of Four University Second Language Learners

Science.gov (United States)

Yang, Jinsuk; Rehner, Katherine

2015-01-01

This article explores the beliefs about second language (L2) sociolinguistic competence of four university-level advanced L2 learners. It places particular emphasis on 1) how these university learners conceptualized L2 sociolinguistic competence; 2) how they thought about two different language learning contexts (viz., the L2 classroom versus…

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.

Studies in Aromatic and Amine Nitration.

Science.gov (United States)

1980-05-20

of Commerce, May 1978. 4. J. Hoggett , R. Moodie, F. Penton, and K. Schofield, Nitration and Aromatic Reactivity (Cambridge University Press, 1971). 5...Moodie, K. Schofield, and G. Tobin, J. Chem. Soc., Chem. Comm., 180 (1978); (b) J. Hoggett , R. Moodie, and K. Schofield, Chem. Comm. 605 (1969). 10. (a) S...Lawrence Livermore Laboratories (Received, 5th Februaty 1980; Com. 124.) 42 ’(a) J. Hoggett , R. B. Moodie, J. R. Penton, and K. Schofield, in ’Nitration

Presentatie: Professional development of university teachers

NARCIS (Netherlands)

Ebrecht, Diny

2012-01-01

Ebrecht, D. (2012, 4 juni). Professional development of university teachers. Presentatie bijeenkomst UOC-vertegenwoordigers in het kader van Erasmusuitwisseling, Heerlen, Nederland: Open Universiteit, L&C.

Quantitative and Qualitative Aspects of L1 (Swedish) and L2 (English) Idiom Comprehension

Science.gov (United States)

Karlsson, Monica

2013-01-01

In the present investigation, 15 first term university students were faced with 80 context-based idioms in English (L2) and Swedish (L1) respectively, 30 of which were in the source domain of animals, commonly used in both languages, and asked to explain their meaning. The idioms were of varying frequency and transparency. Three main research…

Study of ion viscosity by spontaneous L-H transitions under marginal hot cathode biasing in the Tohoku University Heliac

International Nuclear Information System (INIS)

Kitajima, S.; Takahashi, H.; Tanaka, Y.; Utoh, H.; Takenaga, M.; Yokoyama, M.; Inagaki, S.; Suzuki, Y.; Nishimura, K.; Ogawa, H.; Takayama, M.; Shinde, J.; Ogawa, M.; Aoyama, H.; Iwazaki, K.; Okamoto, A.; Shinto, K.; Sasao, M.

2008-01-01

Using the spontaneous transition condition under marginal hot cathode biasing, the ion viscosity at the L-H transition was estimated in various magnetic configurations in the Tohoku University Heliac. The critical viscosity, which is the viscosity at the transition point, was experimentally estimated from the J x B driving force. The critical viscosities in different magnetic configurations were in agreement with the neoclassical predictions within a factor of 2 and were compared with the viscosities obtained in the externally forced biasing experiments. Although the transition points were spread over a wide range, poloidal Mach numbers at the transition point were concentrated near the viscosity maxima predicted by the theory

A CONVENIENT THREE-COMPONENT SYNTHESIS OF ...

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1College of Chemistry, Chemical Engineering and Food Safety, Bohai University, Jinzhou. 121013 ... Most reactions are performed within a short reaction time. ..... Shaterian, H.R.; Hosseinian, A.; Ghashang, M. Chin. J. Chem. 2009, 27, 821. 7. Heravi, M.M.; Tavakoli-Hoseini, N.; Bamoharram, F.F. Green Chem. Lett. Rev.

Synthesis and characterization of Ruddlesden–Popper (RP) type ...

Indian Academy of Sciences (India)

Administrator

Bendersky L A, Greenblatt M and Chen R 2003. J. Solid State Chem. 174 418. 3. Zhang Z, Greenblatt M and Goodenough J B 1994. J. Solid State Chem. 108 402. 4. Sreedhar K, McElfresh M, Perry D, Kim D, Metcalf. P and Honig J M 1994 J. Solid State Chem. 110. 208. 5. Rao C N R, Ganguly P, Singh K K and Mohan Ram.

77 FR 5617 - Alternative Transportation in Parks and Public Lands Program

Science.gov (United States)

2012-02-03

...: Mark H Hartsoe, Mark_H[email protected] ; tel: (202) 513-7025, fax: (202) 371-6675, mail: 1849 C Street... Independence Avenue SW., Washington, DC 20250-1101. Bureau of Land Management: Victor F. Montoya, Victor_Montoya@blm.gov , tel: (202) 912-7041, mail: 1620 L Street, WO-854, Washington, DC 20036. For general...

78 FR 22026 - Alternative Transportation in Parks and Public Lands Program

Science.gov (United States)

2013-04-12

.... National Park Service: Mark H Hartsoe, Mark_H[email protected] ; tel: 202-513-7025, fax: 202-371-6675, mail... Independence Avenue SW., Washington, DC 20250-1101. Bureau of Land Management: Victor F. Montoya, Victor_Montoya@blm.gov , tel: 202-912-7041, mail: 1620 L Street, WO-854, Washington, DC 20036. For general...

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.

Test of Lepton Flavour Universality in $K^{+} \\to l^{+}\

CERN Document Server

Lazzeroni, C.; Ceccucci, A.; Danielsson, H.; Falaleev, V.; Gatignon, L.; Goy Lopez, S.; Hallgren, B.; Maier, A.; Peters, A.; Piccini, M.; Riedler, P.; Dyulendarova, M.; Frabetti, P.L.; Kekelidze, V.; Madigozhin, D.; Marinova, E.; Molokanova, N.; Movchan, S.; Potrebenikov, Yu.; Shkarovskiy, S.; Zinchenko, A.; Rubin, P.; Baldini, W.; Cotta Ramusino, A.; Dalpiaz, P.; Fiorini, M.; Gianoli, A.; Norton, A.; Petrucci, F.; Savrie, M.; Wahl, H.; Bizzeti, A.; Bucci, F.; Iacopini, E.; Lenti, M.; Veltri, M.; Antonelli, A.; Moulson, M.; Raggi, M.; Spadaro, T.; Eppard, K.; Hita-Hochgesand, M.; Kleinknecht, K.; Renk, B.; Wanke, R.; Winhart, A.; Winston, R.; Bolotov, V.; Duk, V.; Gushchin, E.; Ambrosino, F.; Di Filippo, D.; Massarotti, P.; Napolitano, M.; Palladino, V.; Saracino, G.; Anzivino, G.; Imbergamo, E.; Piandani, R.; Sergi, A.; Cenci, P.; Pepe, M.; Costantini, F.; Doble, N.; Giudici, S.; Pierazzini, G.; Sozzi, M.; Venditti, S.; Balev, S.; Collazuol, G.; DiLella, L.; Gallorini, S.; Goudzovski, E.; Lamanna, G.; Mannelli, I.; Ruggiero, G.; Cerri, C.; Fantechi, R.; Kurshetsov, V.; Obraztsov, V.; Popov, I.; Semenov, V.; Yushchenko, O.; D'Agostini, G.; Leonardi, E.; Serra, M.; Valente, P.; Fucci, A.; Salamon, A.; Bloch-Devaux, B.; Peyaud, B.; Engelfried, J.; Coward, D.; Kozhuharov, V.; Litov, L.; Arcidiacono, R.; Bifani, S.; Biino, C.; Dellacasa, G.; Marchetto, F.; Numao, T.; Retiere, F.

2011-04-04

A precision test of lepton flavour universality has been performed by measuring the ratio RK of kaon leptonic decay rates K+ --> e+nu and K+ --> mu+nu in a sample of 59813 reconstructed K+ --> e+nu candidates with (8.71 +- 0.24)% background contamination. The result RK = (2.487 +- 0.013) * 10^{-5} is in agreement with the Standard Model expectation.

Untitled

Indian Academy of Sciences (India)

Frein, M. L., and Fisher, C. H. ... Ind. and Eng. Chen, 1948, 40, 534. 2. Kosolapoff, G. M. ... J. Amer. Chem. Soc., 1947, 69, 1651. 3. Fornet, R, ... Seifensieder-2tg., 1938, 65, 658 and 687. 4. Dusart, L, and Bardy, Ch. ... Compt, rend, 73, 1276. 5. Gal, H., and Etard, A. ... Ibid., 82, 457. 6. Demole, E. ... Deut. Chem. Ges, Ber, 1877 ...

Collaboration pour l'analyse et l'innovation en matière de systèmes ...

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

School health in South Africa : reflections on the past and prospects for the future. Téléchargez le PDF. Articles de revue. Health policy and systems research : needs, challenges and opportunities in South Africa - a university perspective. Téléchargez le PDF. Articles de revue. Whole-system change : case study of factors ...

77 FR 5242 - Notice of Extension of Public Scoping Period for the Revised Notice of Intent To Prepare an...

Science.gov (United States)

2012-02-02

... mailed to Naval Facilities Engineering Command Northwest, Attention: Mrs. Amy Burt, NWSTF Boardman EIS Project Manager, Naval Facilities Engineering Command Northwest, 1101 Tautog Circle, Suite 203, Silverdale... Engineering Command Northwest, 1101 Tautog Circle, Suite 203, Silverdale, WA 98315-1101, Attn: NWSTF Boardman...

Shape tunable synthesis of Eu- and Sm-doped ZnO microstructures ...

Indian Academy of Sciences (India)

Shape tunable synthesis of Eu- and Sm-doped ZnO microstructures: a morphological ... different microstructures material at relatively low temper- ..... Chem. C 114. 2776. 5. Gao P X and Wang Z L 2003 J. Am. Chem. Soc. 125 11299. 6.

Measurement of the angular coefficients in Z-boson events using electron and muon pairs from data taken at √s=8 TeV with the ATLAS detector

Czech Academy of Sciences Publication Activity Database

Aad, G.; Abbott, B.; Abdallah, J.; Chudoba, Jiří; Havránek, Miroslav; Hejbal, Jiří; Jakoubek, Tomáš; Kepka, Oldřich; Kupčo, Alexander; Kůs, Vlastimil; Lokajíček, Miloš; Lysák, Roman; Marčišovský, Michal; Mikeštíková, Marcela; Němeček, Stanislav; Penc, Ondřej; Šícho, Petr; Staroba, Pavel; Svatoš, Michal; Taševský, Marek; Vrba, Václav

2016-01-01

Roč. 2016, č. 8 (2016), s. 1-101, č. článku 159. ISSN 1029-8479 Institutional support: RVO:68378271 Keywords : hadron-hadron scattering * Monte Carlo * electron * CERN Lab * lepton * pair production * experimental results * 8000 GeV-cms Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 6.063, year: 2016

Structure and intermolecular vibrations of 7-azaindole-water 2:1 ...

Indian Academy of Sciences (India)

Crespo-Hernández C E, Cohen B, Hare P M and Kohler. B 2004 Chem. Rev. 104 1977. 37. Löwdin P D 1966 Adv. Quant. Chem. 2 213. 38. Folmer D E, Poth L, Wisniewski E S and Castleman Jr. A W 1998 Chem. Phys. Lett. 287 1. 39. Folmer D E, Wisniewski E S, Hurley S M and Castleman. Jr A W 1999 Proc. Natl. Acad.

Microstructure analysis of chemically synthesized wurtzite-type CdS ...

Indian Academy of Sciences (India)

37, 4682 (1998). [12] O Z Angel and R L Morales, Phys. Rev. B 62, 13064 (2000). [13] S Wei and S B Zhang, Phys. Rev. B 62, 6944 (2000). [14] G Lin, J Zheng and R Xu, J. Phy. Chem. C 112, 7363 (2008). [15] N Bao, L Shen, T Takata, K Domen, A Gupta, K Yanagisawa and C A Grimes, J. Phys. Chem. C 111, 17527 (2007).

10 January 2008 - Prime Minister of Malta L. Gonzi KUOM, LLD, MP, signing a collaboration agreement with CERN Director-General R. Aymar; standing: University of Malta Pro Rector for Research and Innovation R. Muscat, University of Malta Rector J. Camilleri, CERN national representative N. Sammut, Adviser to the Director-General E. Tsesmelis.

CERN Multimedia

Maximilien Brice

2008-01-01

10 January 2008 - Prime Minister of Malta L. Gonzi KUOM, LLD, MP, signing a collaboration agreement with CERN Director-General R. Aymar; standing: University of Malta Pro Rector for Research and Innovation R. Muscat, University of Malta Rector J. Camilleri, CERN national representative N. Sammut, Adviser to the Director-General E. Tsesmelis.

Recherche sur l'environnement alimentaire urbain obésogène, ses ...

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

L'étude, menée par une équipe pluridisciplinaire, est conçue selon une approche à différentes méthodes, y compris des enquêtes, des entrevues et l'analyse de politiques. L'University of the Western Cape (UWC) dirigera le projet en Afrique du Sud, et la Kwame Nkrumah University of Science and Technology (KNUST) ...

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

Directory of Open Access Journals (Sweden)

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.

Indiana University High Energy Physics Group, Task C

International Nuclear Information System (INIS)

Heinz, R.M.; Mufson, S.L.; Musser, J.

1991-01-01

The Indiana University High Energy Physics Group, Task C has been actively involved in the MACRO experiment at Gran Sasso and the SSC experiment L during the current contract year. MACRO is a large US-Italian Monopole, Astrophysics, and Cosmic Ray Observatory being built under the Gran Sasso Mountain outside of Rome. Indiana University is in charge of organizing the United States software effort. We have built a state-of-the-art two-meter spectrophotometer for the MACRO liquid scintillator. We are in charge of ERP, the Event Reconstruction Processor online trigger processor for muons and stellar collapse. We are designing an air Cerenkov array to be placed on top of the Gran Sasso. Our other activity involves participation in the SSC experiment L. As long-standing members of L we have done proposal writing and have worked on important L planning and organization matters. We are now doing development work on the L Central Tracker straw drift tubes, including gas optimization, readout, and Monte Carlos. 12 refs., 20 figs., 1 tab

Indiana University High Energy Physics Group, Task C

Energy Technology Data Exchange (ETDEWEB)

Heinz, R.M.; Mufson, S.L.; Musser, J.

1991-01-01

The Indiana University High Energy Physics Group, Task C has been actively involved in the MACRO experiment at Gran Sasso and the SSC experiment L during the current contract year. MACRO is a large US-Italian Monopole, Astrophysics, and Cosmic Ray Observatory being built under the Gran Sasso Mountain outside of Rome. Indiana University is in charge of organizing the United States software effort. We have built a state-of-the-art two-meter spectrophotometer for the MACRO liquid scintillator. We are in charge of ERP, the Event Reconstruction Processor online trigger processor for muons and stellar collapse. We are designing an air Cerenkov array to be placed on top of the Gran Sasso. Our other activity involves participation in the SSC experiment L. As long-standing members of L we have done proposal writing and have worked on important L planning and organization matters. We are now doing development work on the L Central Tracker straw drift tubes, including gas optimization, readout, and Monte Carlos. 12 refs., 20 figs., 1 tab.

A new Mannich base and its transition metal (II) complexes ...

Indian Academy of Sciences (India)

Unknown

15. Ray R K and Kaufiman G B 1999 Inorg. Chim. Acta. 173 207. 16. Antosik S, Brown N M D, Mc Connelland A A and. Porte A L 1969 J. Chem. Soc. (A) 545. 17. Boas J F, Dunhil R H, Pilbrow J R, Srivastava R C and Smith T D 1969 J. Chem. Soc. (A) 94. 18. Hathaway B J and Tomlinson A A G 1970 Coord. Chem. Rev. 5 1.

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

Directory of Open Access Journals (Sweden)

T. Sherwen

2016-02-01

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

Exploiting the Theory of Universals in Adult Second Language Teaching.

Science.gov (United States)

Kandiah, Thiru

1994-01-01

This article presents a bilingual teaching strategy based on Noam Chomsky's universalist hypothesis, which emphasizes the "universal" aspects of human language. The strategy focuses on the matching process that all learners carry out between the first (L1) and second (L2) language, as well as the differences between L1 and L2. (58…

Chiral and achiral helical coordination polymers of zinc and ...

Indian Academy of Sciences (India)

rality depends on formation of cis coordination geom- etry around the ..... lographic Data Centre via www.ccdc.cam.ac.uk/data_ .... 324; (b) Han L and Hong M 2005 Inorg. Chem. Com ... Kang Y, Chen S, Wang F, Zhang J and Bu X 2011 Chem.

Synthesis of substituted guanidines using Zn–Al hydrotalcite catalyst

Indian Academy of Sciences (India)

Zn–Al HT was prepared by co-precipitation method and charac- terized by ... tion of highly functionalized guanidines.4 Linton et al. explained a ..... Pi C, Zhu Z, Weng L, Chen Z and Zhou X 2007 Chem. Commun. ... J P 2000 J. Mater. Chem.

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

Energy Technology Data Exchange (ETDEWEB)

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

2001-02-01

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

From small to powerful: the fragments universe and its "chem-appeal".

Science.gov (United States)

Sancineto, Luca; Massari, Serena; Iraci, Nunzio; Tabarrini, Oriana

2013-01-01

While increasing expertise in molecular biology and proteomics is markedly speeding up the target elucidation process, various strategies have been proposed that improve the chances of identifying active molecules. Among them, the Fragment Based Drug Design (FBDD) is surely worth noting. The FBDD entails the screening of a small number of low molecular weight compounds in the hopes of finding even low affine but high ligand efficient fragments that have high probability to became drug candidates. Since 1996, when the first paper on FBDD was reported, the potentialities of this strategy became progressively more apparent as testified by the growing number of publications. Many drug discovery projects started with the identification of fragments which after the optimization gave many molecules close to the approval and one marketed drug Vemurafenib, approved in 2011. A preamble that highlights the advantages of dealing with simple and "very small" molecules over conventional drug-like compounds will be herein given prior to discussing the canonical FBDD stages, from fragment library design, to the different screening methods concluding with the various optimization strategies, in an attempt to illustrate the whole FBDD workflow while discussing the most recent and successful applications. While this review is a tribute to the success achieved by the researchers in this field, it is particularly addressed to scientists who want to become aware of the versatility and potentiality of FBDD.

Untitled

Indian Academy of Sciences (India)

Lee I and Ng K Y S 1989 Catal. Lett. 2 403. Lin J, Neoh KG, Li N, Tan TC, Wee ATS, Huan A C H and Tan K L 1993 Inorg. Chem. 32 3093. Lindemer T B, Hunley J F, Gates J E, Shutton A L, Brynestad J, Hubbard C R and Gallagher P K 1989. J. Am. Ceram. Soc. 72 1775. Mars P and Van Krevelen D W 1954 Chem, Eng., Sci.

SXR, A Novel Target for Breast Cancer Therapeutics

Science.gov (United States)

2007-04-01

2000) J. BoneMiner. Res. 15, 515–521 7. Booth , S. L., Tucker, K. L., Chen, H., Hannan, M. T., Gagnon, D. R., Cupples, L. A., Wilson, P. W., Ordovas...J. Bone Miner. Res. 17, 1180–1189 31. Deak, F., Piecha, D., Bachrati, C., Paulsson, M., and Kiss , I. (1997) J. Biol. Chem. 272, 9268–9274 32. Piecha...D., Muratoglu, S., Morgelin, M., Hauser, N., Studer, D., Kiss , I., Paulsson, M., and Deak, F. (1999) J. Biol. Chem. 274, 13353–13361 33. Piecha, D

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...

Self-assembly of azobenzene based side-chain liquid crystalline ...

Indian Academy of Sciences (India)

. Grimsdale A C and Müllen K 2005 Angew. Chem. Int. Ed. 44 5592. 20. Serpe M J and Craig S L 2007 Langmuir 23 1626. 21. Delphia Shalini Rosalyn P, Senthil S, Kannan P, Vinitha. G and Ramalingam A 2007 J. Phys. Chem. Solids 68. 1812.

Saturation Transfer Difference NMR as an Analytical Tool for Detection and Differentiation of Plastic Explosives on the Basis of Minor Plasticizer Composition

Science.gov (United States)

2015-05-01

Liquid Chromatography (HPLC) Method. Fresenius J. Anal. Chem. 1996, 356, 445–451. 5. Ivy, M.A.; Gallagher, L.T.; Ellington, A.D.; Anslyn, E.V...6. Wypych, G. Handbook of Plasticizers; ChemTec Publishing: Ontario, Canada, 2004. 7. Mayer, M.; Meyer, B . Characterization of Ligand Binding

Using a Shared L1 to Reduce Cognitive Overload and Anxiety Levels in the L2 Classroom

Science.gov (United States)

Bruen, Jennifer; Kelly, Niamh

2017-01-01

This paper considers the attitudes and behaviours of university language lecturers and their students regarding the use of the L1 in the higher education L2 classroom. A case study of one Irish higher education institution was carried out and qualitative interviews conducted with six lecturers in Japanese and six in German. The results indicated…

Exercises with the universal R-matrix

International Nuclear Information System (INIS)

Boos, Herman; Goehmann, Frank; Kluemper, Andreas; Nirov, Khazret S; Razumov, Alexander V

2010-01-01

Using the formula for the universal R-matrix proposed by Khoroshkin and Tolstoy, we give a detailed derivation of L-operators for the quantum groups associated with the generalized Cartan matrices A (1) 1 and A (1) 2 .

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.

Synthesis, crystal structure, thermal analysis and dielectric ...

Indian Academy of Sciences (India)

[13] Perry C H and Lowdes R P 1969 J. Chem. Phys. 51 3648. [14] Sheldrick G M 1997 SHELXS9, Program for the Refinement of Crystal Structures (Germany: University of Gottingen). [15] Loukil M, Kabadou A, Salles Ph and Ben Salah A 2004 Chem. Phys. 300 247. [16] Rolies M M and De Ranter C J 1978 Acta Crystallogr.

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.

Correction: β-Amyrin synthase from Euphorbia tirucalli L. functional analyses of the highly conserved aromatic residues Phe413, Tyr259 and Trp257 disclose the importance of the appropriate steric bulk, and cation-π and CH-π interactions for the efficient catalytic action of the polyolefin cyclization cascade.

Science.gov (United States)

Ito, Ryousuke; Nakada, Chika; Hoshino, Tsutomu

2017-01-18

Correction for 'β-Amyrin synthase from Euphorbia tirucalli L. functional analyses of the highly conserved aromatic residues Phe413, Tyr259 and Trp257 disclose the importance of the appropriate steric bulk, and cation-π and CH-π interactions for the efficient catalytic action of the polyolefin cyclization cascade' by Ryousuke Ito et al., Org. Biomol. Chem., 2017, 15, 177-188.

Hartl, Prof. Daniel L

Indian Academy of Sciences (India)

Hartl, Prof. Daniel L. Date of birth: 1 January 1943. Address: Higgins Professor of Biology, Dept. of Organismic & Evolutionary, Biology, The Biological Lab., Harvard University, 16 Divinity Ave, Cambridge, MA 02138, USA Contact: Office: (+1-617) 496 3917. Email: dhartl@oeb.harvard.edu. YouTube; Twitter; Facebook; Blog ...

The B-L phase transition. Implications for cosmology and neutrinos

International Nuclear Information System (INIS)

Schmitz, Kai

2012-07-01

We investigate the possibility that the hot thermal phase of the early universe is ignited in consequence of the B-L phase transition, which represents the cosmological realization of the spontaneous breaking of the Abelian gauge symmetry associated with B-L, the difference between baryon number B and lepton number L. Prior to the B-L phase transition, the universe experiences a stage of hybrid inflation. Towards the end of inflation, the false vacuum of unbroken B-L symmetry decays, which entails tachyonic preheating as well as the production of cosmic strings. Observational constraints on this scenario require the B-L phase transition to take place at the scale of grand unification. The dynamics of the B-L breaking Higgs field and the B-L gauge degrees of freedom, in combination with thermal processes, generate an abundance of heavy (s)neutrinos. These (s)neutrinos decay into radiation, thereby reheating the universe, generating the baryon asymmetry of the universe and setting the stage for the thermal production of gravitinos. The B-L phase transition along with the (s)neutrino-driven reheating process hence represents an intriguing and testable mechanism to generate the initial conditions of the hot early universe. We study the B-L phase transition in the full supersymmetric Abelian Higgs model, for which we derive and discuss the Lagrangian in arbitrary and unitary gauge. As for the subsequent reheating process, we formulate the complete set of Boltzmann equations, the solutions of which enable us to give a detailed and time-resolved description of the evolution of all particle abundances during reheating. Assuming the gravitino to be the lightest superparticle (LSP), the requirement of consistency between hybrid inflation, leptogenesis and gravitino dark matter implies relations between neutrino parameters and superparticle masses, in particular a lower bound on the gravitino mass of 10GeV. As an alternative to gravitino dark matter, we consider the case of

The B-L phase transition. Implications for cosmology and neutrinos

Energy Technology Data Exchange (ETDEWEB)

Schmitz, Kai

2012-07-15

We investigate the possibility that the hot thermal phase of the early universe is ignited in consequence of the B-L phase transition, which represents the cosmological realization of the spontaneous breaking of the Abelian gauge symmetry associated with B-L, the difference between baryon number B and lepton number L. Prior to the B-L phase transition, the universe experiences a stage of hybrid inflation. Towards the end of inflation, the false vacuum of unbroken B-L symmetry decays, which entails tachyonic preheating as well as the production of cosmic strings. Observational constraints on this scenario require the B-L phase transition to take place at the scale of grand unification. The dynamics of the B-L breaking Higgs field and the B-L gauge degrees of freedom, in combination with thermal processes, generate an abundance of heavy (s)neutrinos. These (s)neutrinos decay into radiation, thereby reheating the universe, generating the baryon asymmetry of the universe and setting the stage for the thermal production of gravitinos. The B-L phase transition along with the (s)neutrino-driven reheating process hence represents an intriguing and testable mechanism to generate the initial conditions of the hot early universe. We study the B-L phase transition in the full supersymmetric Abelian Higgs model, for which we derive and discuss the Lagrangian in arbitrary and unitary gauge. As for the subsequent reheating process, we formulate the complete set of Boltzmann equations, the solutions of which enable us to give a detailed and time-resolved description of the evolution of all particle abundances during reheating. Assuming the gravitino to be the lightest superparticle (LSP), the requirement of consistency between hybrid inflation, leptogenesis and gravitino dark matter implies relations between neutrino parameters and superparticle masses, in particular a lower bound on the gravitino mass of 10GeV. As an alternative to gravitino dark matter, we consider the case of

Développement des micro-capteurs chimiques CHEMFETs pour des applications à l'hémodialyse

OpenAIRE

Sant , William

2004-01-01

This work lies within the scope of the microtechnological development for the medical analysis improvement. It proposes to improve the comfort of the haemodialysed patient by monitoring the dialysis effectiveness. It aims at the development of disposable ChemFETs chemical microsensors for the detection of the H+ ions, urea and creatinin. The principle of detection is based on the realisation of an enzymatic layer on top of the ChemFET pH-sensitive gate. Thus, The enzymatic reaction is respons...

Antimicrobial activity and bioguided fractionation of Rumex tingitanus extracts for meat preservation.

Science.gov (United States)

Mhalla, Dhekra; Bouaziz, Amira; Ennouri, Karim; Chawech, Rachid; Smaoui, Slim; Jarraya, Raoudha; Tounsi, Slim; Trigui, Mohamed

2017-03-01

This study was undertaken to investigate the antibacterial and antifungal activities of Rumex tingitanus leaves extracts as well as the identification of bioactive components and their performance in meat preservation. Total phenolics and flavonoids showed the highest content of phenolics and flavonoids in the ethyl acetate fraction (Rt EtOAcF). For antimicrobial efficacy, leaves extract and derived fraction were tested for their capacity to inhibit bacterial and fungal proliferation in vitro and in vivo. The ethyl acetate fraction showed the most potent antibacterial and antifungal activities compared to the others extracts. Thus, the efficacy of this extract to inhibit the proliferation of Listeria monocytogenes in minced beef meat model was examined. This fraction eradicates the L. monocytogenes population in meat in a concentration- and time-dependent manner. A bio-guided purification of the Rt EtOAc fraction resulted in the isolation of the compound responsible for the observed antimicrobial activity. This compound was identified as luteolin by analysis of spectroscopic data. Luteolin (PubChem CID: 5280445); p-iodonitrotetrazolium chloride (PubChem CID: 64957); Amphotericin B (PubChem CID: 5280965); Gentamicin and (PubChem CID: 6419933); Hexane (PubChem CID: 8058); Methanol (PubChem CID: 887); Ethanol (PubChem CID: 702); Dimethylsulfoxide (PubChem CID: 679); Quercetin (PubChem CID: 5280343); Gallic acid (PubChem CID: 370). Copyright © 2016 Elsevier Ltd. All rights reserved.

Geneva University

CERN Multimedia

2009-01-01

École de physique - Département de physique nucléaire et corpusculaire 24, quai Ernest-Ansermet 1211 GENÈVE 4 Tél: (022) 379 62 73 - Fax: (022) 379 69 92 Wednesday 13 May 2009 PARTICLE PHYSICS SEMINAR at 17:00 – Stückelberg Auditorium Observing the extreme universe with the Fermi Gamma-ray Space Telescope Prof. Olaf Reimer / Stanford University The Fermi Gamma-ray Space Telescope (FGST, formerly GLAST) is an international observatory-type satellite mission with a physics program spanning from gamma-ray astronomy to particle astrophysics and cosmology. FGST was launched on June 11, 2008 and is successfully conducting science observations of the high-energy gamma-ray sky since August 2008. A varienty of discoveries has been made already, including monitoring rapid blazar variability, the existence of GeV gamma-ray bursts, and numerous new gamma-ray sources of different types, including those belonging to previously unknown gamma-ray source classes like msPSRs, globula...

Geneva University

CERN Multimedia

2009-01-01

École de physique - Département de physique nucléaire et corspusculaire 24, quai Ernest-Ansermet 1211 GENÈVE 4 Tél: (022) 379 62 73 - Fax: (022) 379 69 92 Monday 9 March 2009 COLLOQUIUM at 17:00 – Stückelberg Auditorium Are We Descended From Heavy Neutrinos? Prof. Boris Kayser / Fermilab (Fermi National Accelerator Center, Geneva, Illinois, USA) Neutrinos are among the most abundant particles in the universe. The discovery that they have nonzero masses has raised a number of very interesting questions about them, and about their connections to other areas of physics and to cosmology. After briefly reviewing what has been learned about the neutrinos so far, we will identify the major open questions, explain why they are interesting, and discuss ideas and plans for answering them through future experiments. We will highlight a particularly intriguing question: Are neutrinos the key to understanding why the universe contains matter but almost no antimatter, making it s...

Projekt READ - sammen om læsning

DEFF Research Database (Denmark)

Christensen, Mette Vedsgaard; Østerbye, Torkil

2015-01-01

Projekt READ er et et-årigt projekt gennemført i et samarbejde mellem TrygFondens Børneforskningscenter, Aarhus Universitet, Aarhus Kommune og VIA University College. Projektet undersøger, om læse- og skrivefærdigheder hos elever i 2. og 3. klasse kan løftes gennem en intervention, hvor forældre...

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.

Some Biological Compounds, Radical Scavenging Capacities and Antimicrobial Activities in the seeds of Nepeta italica L. and Sideritis montana L. subsp. montana from Turkey

Directory of Open Access Journals (Sweden)

Erecevit, Pınar

2011-03-01

montana L. subsp. montana. Además, se determinó que tanto Nepeta italica L. como Sideritis montana L. subsp. montana contenían estigmasterol (630.07±1.81μg/g; 80,74±0.71μg/g, respectivamente y ergosterol (11.01±0.14 μg/g; 161.32±0.63 μg/g respectivamente y esta última además beta-sitosterol (2.93±0.03μg/g. Además, los resultados muestran que Nepeta italica L. contiene morin (37.79±1.09μg/g, catequina (124.39±2.23μg/g y naringina (475.96±3.57μg/g y Sideritis montana L. subsp. montana contiene morin (188.41±2.53μg/g, catequina (64.14±1.86μg/g, naringenina (38.34±1.78 μg/g, como principales flavonoides. También, se determinó que los extractos metanólicos de Nepeta itálica L. y Sideritis montana L. subsp. montana fueron eficaces contra los radicales DPPH. Los resultados obtenidos en el presente estudio mostraron que las vitaminas, los flavonoides y los ácidos grasos de los extractos en las semillas de Nepeta itálica L. y Sideritis montana L. subsp. montana impidieron el crecimiento de los microorganismos utilizados en el ensayo, en diferentes proporciones.

Fulltext PDF

Indian Academy of Sciences (India)

School of Chemistry, University of Hyderabad, Central University (PO), Hyderabad ... Scheme 1. Synthesis of di(diindolylmethyl)carbazoles. Table 1. Synthesis of .... Chem. 47 87 142. 8. Jones R A 1992 Pyrroles, Part II (New York: Wiley). 9.

GLONASS CDMA L3 ambiguity resolution and positioning

NARCIS (Netherlands)

Zaminpardaz, Safoora; Teunissen, P.J.G.; Nadarajah, Nandakumaran

2016-01-01

A first assessment of GLONASS CDMA L3 ambiguity resolution and positioning performance is provided. Our analyses are based on GLONASS L3 data from the satellite pair SVNs 755-801, received by two JAVAD receivers at Curtin University, Perth, Australia. In our analyses, four different versions of

New holographic scalar field models of dark energy in non-flat universe

Energy Technology Data Exchange (ETDEWEB)

Karami, K., E-mail: KKarami@uok.ac.i [Department of Physics, University of Kurdistan, Pasdaran St., Sanandaj (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Fehri, J. [Department of Physics, University of Kurdistan, Pasdaran St., Sanandaj (Iran, Islamic Republic of)

2010-02-08

Motivated by the work of Granda and Oliveros [L.N. Granda, A. Oliveros, Phys. Lett. B 671 (2009) 199], we generalize their work to the non-flat case. We study the correspondence between the quintessence, tachyon, K-essence and dilaton scalar field models with the new holographic dark energy model in the non-flat FRW universe. We reconstruct the potentials and the dynamics for these scalar field models, which describe accelerated expansion of the universe. In the limiting case of a flat universe, i.e. k=0, all results given in [L.N. Granda, A. Oliveros, Phys. Lett. B 671 (2009) 199] are obtained.

New holographic scalar field models of dark energy in non-flat universe

International Nuclear Information System (INIS)

Karami, K.; Fehri, J.

2010-01-01

Motivated by the work of Granda and Oliveros [L.N. Granda, A. Oliveros, Phys. Lett. B 671 (2009) 199], we generalize their work to the non-flat case. We study the correspondence between the quintessence, tachyon, K-essence and dilaton scalar field models with the new holographic dark energy model in the non-flat FRW universe. We reconstruct the potentials and the dynamics for these scalar field models, which describe accelerated expansion of the universe. In the limiting case of a flat universe, i.e. k=0, all results given in [L.N. Granda, A. Oliveros, Phys. Lett. B 671 (2009) 199] are obtained.

For information: Geneva University

CERN Multimedia

2005-01-01

Ecole de physique Département de physique nucléaire et corspusculaire 24, Quai Ernest-Ansermet 1211 GENEVE 4 TéL: (022) 379 62 73 Fax: (022) 379 69 92 Lundi 5 décembre COLLOQUE DE PHYSIQUE at 17:00 - Stückelberg Auditorium ARCHEOLOGY OF THE UNIVERSE WITH THE COSMIC MICROWAVE BACKGROUND by Prof. Paolo de Bernardis / Université de Rome 'La Sapienza'

The Scavenger Receptor SSc5D Physically Interacts with Bacteria through the SRCR-Containing N-Terminal Domain

Czech Academy of Sciences Publication Activity Database

Pereira, C.B.; Bocková, Markéta; Santos, R.F.; Santos, A. M.; de Araujo, M.M.; Oliveira, L.; Homola, Jiří; Carmo, A.M.

2016-01-01

Roč. 7, October (2016), č. článku 416. ISSN 1664-3224 R&D Projects: GA ČR(CZ) GBP205/12/G118 Grant - others:AV ČR(CZ) AP1101 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:67985882 Keywords : Pattern recognition receptors * Bacteria * Surface plasmon resonance Subject RIV: BH - Optics, Masers, Lasers Impact factor: 6.429, year: 2016

Retrievals of formaldehyde from ground-based FTIR and MAX-DOAS observations at the Jungfraujoch station and comparisons with GEOS-Chem and IMAGES model simulations

Directory of Open Access Journals (Sweden)

B. Franco

2015-04-01

Full Text Available As an ubiquitous product of the oxidation of many volatile organic compounds (VOCs, formaldehyde (HCHO plays a key role as a short-lived and reactive intermediate in the atmospheric photo-oxidation pathways leading to the formation of tropospheric ozone and secondary organic aerosols. In this study, HCHO profiles have been successfully retrieved from ground-based Fourier transform infrared (FTIR solar spectra and UV-visible Multi-AXis Differential Optical Absorption Spectroscopy (MAX-DOAS scans recorded during the July 2010–December 2012 time period at the Jungfraujoch station (Swiss Alps, 46.5° N, 8.0° E, 3580 m a.s.l.. Analysis of the retrieved products has revealed different vertical sensitivity between both remote sensing techniques. Furthermore, HCHO amounts simulated by two state-of-the-art chemical transport models (CTMs, GEOS-Chem and IMAGES v2, have been compared to FTIR total columns and MAX-DOAS 3.6–8 km partial columns, accounting for the respective vertical resolution of each ground-based instrument. Using the CTM outputs as the intermediate, FTIR and MAX-DOAS retrievals have shown consistent seasonal modulations of HCHO throughout the investigated period, characterized by summertime maximum and wintertime minimum. Such comparisons have also highlighted that FTIR and MAX-DOAS provide complementary products for the HCHO retrieval above the Jungfraujoch station. Finally, tests have revealed that the updated IR parameters from the HITRAN 2012 database have a cumulative effect and significantly decrease the retrieved HCHO columns with respect to the use of the HITRAN 2008 compilation.

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.

Drying characteristics of bay laurel (Laurus nobilis L.) fruits in a ...

African Journals Online (AJOL)

Jane

2011-06-24

, Two- term and approximation of ... Spain, Italy, France and Mexico. L. nobilis L. is ... the volatile oil fraction of the L. nobilis seeds have some .... m2/s; Ea is the activation energy in kJ/mol; R is the universal gas constant in ...

Exploring the Structure of Nitrogen-Rich Ionic Liquids and Their Binding to the Surface of Oxide-Free Boron Nanoparticles

Science.gov (United States)

2013-01-29

results have to be interpreted with caution. Lovelock et al.61 have shown that clean surfaces can be obtained by sputtering for the [CnC1Im][Tf2N] IL...Licence, P. Langmuir 2006, 22, 9386−9392. (58) Hurisso, B. B.; Lovelock , K. R.; Licence, P. Phys. Chem. Chem. Phys. 2011, 13, 17737−48. (59) Zhang, H.; Cui...H. Langmuir 2009, 25, 2604−2612. (60) Zhang, Q.; Ma, X.; Liu, S.; Yang, B.; Lu, L.; He, Y.; Deng, Y. J. Mater. Chem. 2011, 21, 6864. (61) Lovelock , K

Dioxobridged complexes of molybdenum (IV) and tungsten (IV) with ...

Indian Academy of Sciences (India)

Unknown

Acknowledgement. We thank Rhone Poulenc, Paris, France for supplying MPM and M/s Bayer A G,. Leverkusen, Germany for providing PCPD and TFPH as gift samples. References. 1. Hewitt E J 1959 Biol. Rev. 34 333. 2. Kay A and Mitchell P C H 1970 J. Chem. Soc. A 2421. 3. Russell Melby L 1969 Inorg. Chem. 8 1539.

Rapid Synthesis of 2-Substituted-2,3-dihydro-4(1H)-quinazolinones ...

African Journals Online (AJOL)

NICO

dron Lett., 2003, 44, 6153. 26 C. Mukhopadhyay, A. Datta and R.J. Butcher, Tetrahedron Lett., 2009,. 50, 4246. 27 G. Harichandran, S.D. Amalraj and P. Shanmugam, J. Iran. Chem. Soc.,. 2011, 8, 298. 28 M. Wang, T.T. Zhang and Z.G. Song, Chin. Chem. Lett., 2011, 22, 427. RESEARCH ARTICLE. Z. Karimi-Jaberi and L.

Molecular Engineering of Liquid Crystalline Polymers

Science.gov (United States)

1992-03-27

Szasz , N. Sheppard and D. H. Rank, J. Chem. Phys., 1948, 16..704 119. P. B. Woller and E. W. Garbisch, Jr., J. Am. Chem. Soc., 1972, 94, 53 10 120. A. L...schematic representation of a sanidic (from Greek for boardlike) mesophase.202 Figure 15. a) Layer spacing d calculated according to Bragg’s law

Universal data compression and repetition times

NARCIS (Netherlands)

Willems, Frans M J

1989-01-01

A new universal data compression algorithm is described. This algorithm encodes L source symbols at a time. For the class of binary stationary sources, its rate does not exceed [formula omitted] [formula omitted] bits per source symbol. In our analysis, a property of repetition times turns out to be

Time-dependent alterations in serum NO concentration after oral administration of L-arginine, L-NAME, and allopurinol in intestinal ischemia/reperfusion

Directory of Open Access Journals (Sweden)

Amalia E Yanni

2008-04-01

Full Text Available Amalia E Yanni1, Eleutherios Margaritis2, Nikolaos Liarakos2, Alkisti Pantopoulou2, Maria Poulakou2, Maria Kostakis2, Despoina Perrea2, Alkis Kostakis31Department of Science of Dietetics and Nutrition, Harokopio University of Athens, Athens, Greece, 2Laboratory of Experimental Surgery and Surgical Research, School of Medicine, National and Kapodistrian University of Athens, Athens, Greece, 32nd Department of Propedeutic Surgery, School of Medicine, National and Kapodistrian University of Athens, Athens, GreeceObjective: To study the effect of oral administration of a nitric oxide (NO donor L-arginine (L-Arg, a NO synthase inhibitor NG-nitro-L-arginine methyl ester (L-NAME and an inhibitor of xanthine oxidase, allopurinol (Allo, on serum NO concentration and catalase activity after intestinal ischemia/reperfusion (I/R in rats.Methods: Male Wistar rats received per os L-Arg (800 mg/kg or L-NAME (50 mg/kg or Allo (100 mg/kg 24 hrs, 12 hrs and 1 hr before underwent 1 hr occlusion of superior mesenteric artery followed by 1 hr of reperfusion (L-Arg(IR1, L-NAME(IR1 and Allo(IR1 respectively or 1 hr occlusion followed by 8 hrs of reperfusion (L-Arg(IR8, L-NAME(IR8 and Allo(IR8 respectively. There was one group underwent 1 hr occlusion (I, a group underwent 1 hr occlusion followed by 1 hr reperfusion (IR1, a group subjected to 1 hr occlusion followed by 8 hrs of reperfusion (IR8 and a last group that served as control (C. Serum NO concentration and catalase activity were measured.Results: After 1 hr of reperfusion serum NO concentration was elevated in IR1 and L-Arg(IR1 groups compared with group C but not in L-NAME(IR1 and Allo(IR1 group. Catalase activity was enhanced in L-NAME(IR1 group. Interestingly, serum NO concentration was increased after 8 hrs of reperfusion in all groups (IR8, L-Arg(IR8, L-NAME(IR8 and Allo(IR8 compared with control while catalase activity did not show significant difference in any group.Conclusions: The results of the

Symposium on Molecular Spectroscopy (39th) Held in Columbus, Ohio on 11-15 Jun 84.

Science.gov (United States)

1984-06-15

02139; R. BACIS, and S. CHURASSY, Laboratoire de Spectrometrie lonique et Moleculaire, Universit Claude Bernard (Lvon 1), 69622 Villeurbanne, France. r...Spectrometrie * lonique et Moleculaire, Universite Claude Bernard -Lyon I, 69622 Villeurbanne, - France; C. LINTON, Department of Physics, University of New...National Bureau of Standards. 3. S. Muenter and W. Klemperer, J. Chem. Phys. 52, 6033 (1970). 20. K. Hindermann and C. D. Cornwell , J. Chem. Ph-ys. 48

Conference L-Functions and Automorphic Forms

CERN Document Server

Kohnen, Winfried; LAF

2017-01-01

This book presents a collection of carefully refereed research articles and lecture notes stemming from the Conference "Automorphic Forms and L-Functions", held at the University of Heidelberg in 2016.  The theory of automorphic forms and their associated L-functions is one of the central research areas in modern number theory, linking number theory, arithmetic geometry, representation theory, and complex analysis in many profound ways.  The 19 papers cover a wide range of topics within the scope of the conference, including automorphic L-functions and their special values, p-adic modular forms, Eisenstein series, Borcherds products, automorphic periods, and many more.

77 FR 68114 - Notice of Extension of Comment Period for the Draft Environmental Impact Statement for Military...

Science.gov (United States)

2012-11-15

... may be submitted in writing to Naval Facilities Engineering Command Northwest, Attention: Mrs. Amy... Facilities Engineering Command Northwest, 1101 Tautog Circle Suite 203, Silverdale, Washington, 98315-1101...

The effect of prefermentative addition of gallic acid and ellagic acid on the red wine color, copigmentation and phenolic profiles during wine aging.

Science.gov (United States)

Zhang, Xin-Ke; He, Fei; Zhang, Bo; Reeves, Malcolm J; Liu, Yue; Zhao, Xu; Duan, Chang-Qing

2018-04-01

Though non-anthocyanin phenolics normally do not have red color, they affect the red color expression in the copigmentation of red wines. In this study, the influence of prefermentative addition of 300mg/L gallic acid and ellagic acid, as cofactors, on aging dry red wines had been systematically evaluated at the industrial scales from the perspectives of color, phenolic profiles and copigmentation effects of anthocyanins. Red wines made with these two compounds exhibited better color properties than the control, having better CIELAB chromatic parameters. Additionally, significantly higher levels of detectable anthocyanins and copigmented anthocyanin ratio had been observed. Wines with ellagic acid showed better chromatic properties and phenolic profiles than wines with gallic acid, as shown in previous theoretical results. Anti-copigmentation phenomenon was noticed and elucidated. These practical results confirmed that ellagic acid was the better cofactor, and would give more additional guidance for the production of high quality wine. Malvidin-3-O-glucoside (PubChem CID: 443,652); Petunidin-3-O-glucoside (PubChem CID: 443,651); Delphinidin-3-O-glucoside (PubChem CID: 443,650); Peonidin-3-O-glucoside (PubChem CID: 443,654); Ellagic acid (PubChem CID: 5,281,855); Gallic acid (PubChem CID: 370); Quercetin (PubChem CID: 443,654); Caffeic acid (PubChem CID: 689,043); (+)-catechin (PubChem CID: 9064); Vanillic acid (PubChem CID: 8468). Copyright © 2017. Published by Elsevier Ltd.

Le CERN fait equipe avec des leaders des technologies de l'information pour construire une gigantesque grille de calcul

CERN Multimedia

CERN Press Office. Geneva

2001-01-01

PR11.01 24.09.2001 CERN teams up CERN*, the European Organization for Nuclear Research, in Geneva, Switzerland announced today the creation of the CERN openlab for DataGrid applications. Three leading Information Technology firms: Enterasys Networks, Intel and KPNQwest have joined CERN to push forward this groundbreaking project in advanced distributed computing. Each company will invest 2.5 MCHF ($1.5M) over a period of 3 years to help CERN achieve its ambitious objectives.

17 CFR 229.1101 - (Item 1101) Definitions.

Science.gov (United States)

2010-04-01

... maturity, delinquency and loss information and geographic distribution) and other factual information... or the asset pool itself; (5) Statistical information displaying for a particular class of asset... characteristics, total rate of return, option adjusted spread or other financial or statistical information...

Política, carisma, poder e mídia: lógicas interpretativas da Igreja Universal do Reino de Deus

Directory of Open Access Journals (Sweden)

Jadir Gonçalves Rodrigues

2009-08-01

Full Text Available No presente artigo, pretendemos discutir algumas possibilidades e limites das categorias dePolítica, carisma, poder e mídia no conjunto de lógicas interpretativas da Igreja Universal do Reino de Deus. As leituras acadêmicas já concluídas sobre desenvolvimento histórico dessa Igreja trabalham com a idéia de que foi o contexto de crise política, social e econômica presente nas décadas de 1970 e 1980 que propiciaram as condições adequadas ao surgimento e expansão da IURD no Brasil. Propomos uma análise que enfatize a importância da mídia, no caso o controle de veículos de comunicação de massa pela direção da Igreja Universal, para a sua expansão ao longo das décadas de 1980 e 1990 no Brasil e no mundo. Procuramos centrar nosso esforço reflexivo na instrumentalização interna e externamente, por parte da liderança dessa Igreja, das categorias de carisma e poder no conjunto de suas práticas religiosas, considerando ainda a proximidade que a mesma mantém em relação à política nacional.

Fermions tunneling from apparent horizon of FRW universe

International Nuclear Information System (INIS)

Li Ran; Ren Jirong; Shi Dunfu

2009-01-01

In the paper [R.-G. Cai, L.-M. Cao, Y.-P. Hu, (arXiv: 0809.1554)], the scalar particles' Hawking radiation from the apparent horizon of Friedmann-Robertson-Walker (FRW) universe was investigated by using the tunneling formalism. They obtained the Hawking temperature associated with the apparent horizon, which was extensively applied in investigating the relationship between the first law of thermodynamics and Friedmann equations. In this Letter, we calculate fermions' Hawking radiation from the apparent horizon of FRW universe via tunneling formalism. Applying WKB approximation to the general covariant Dirac equation in FRW spacetime background, the radiation spectrum and Hawking temperature of apparent horizon are correctly recovered, which supports the arguments presented in the paper [R.-G. Cai, L.-M. Cao, Y.-P. Hu, (arXiv: 0809.1554)

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

Domain-specific physical activity and health-related quality of life in university students.

Science.gov (United States)

Pedišić, Zeljko; Rakovac, Marija; Titze, Sylvia; Jurakić, Danijel; Oja, Pekka

2014-01-01

Information on the relationship between domain-specific physical activity (PA) and health-related quality of life (HRQoL) in the general population and specific groups is still scarce. The aim of this study was to determine the relationship between PA in work, transport, domestic and leisure-time domains and HRQoL among university students. PA and HRQoL were assessed in a random stratified sample of 1750 university students using the International Physical Activity Questionnaire - long form and 12-item Short Form Health Survey, respectively. The Spearman's rank correlations, adjusted for age, community size, personal monthly budget, body mass index, smoking habits and alcohol intake ranged from -0.11 to 0.18 in female students and -0.29 to 0.19 in male students. Leisure-time, domestic, transport-related PA and total PA were positively related to HRQoL. Inverse correlations with HRQoL were only found for work-related PA in male students. Multiple linear regression analysis showed that only leisure-time PA was related to the Physical Summary Component score (β = 0.08 for females and β = 0.10 for males, P leisure-time, transport and domestic PA with HRQoL can potentially be used to support evidence-based promotion of PA in a university setting, and as a hypothesis for future longitudinal studies on such potential causal relationships.

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

Étude de l'emploi des peintures thermochromiques dans l'Art contemporain

Directory of Open Access Journals (Sweden)

Marjorie Nastro

2012-06-01

Full Text Available Cette étude sur l'utilisation des peintures thermochromiques est basée sur un cas concret, l’œuvre Mur - tableau (vert, conçue et réalisée en 2004 par Véronique Joumard. Elle a été menée dans le cadre d'un mémoire de fin d'études à l'École Supérieure d'Art d'Avignon, en collaboration avec le Laboratoire de chimie appliquée à l'art et à l'archéologie de l'Université d'Avignon, l'entreprise GEM'INNOV et la société MINOLTA. Elle a porté sur l’étude de caractéristiques physico-chimiques de ces couleurs dites "thermo-sensibles".This study on the use of thermochromic paintings is based on Véronique Joumard’s artwork Mur – tableau (vert, conceived and made in 2004. This research was led as a graduation project at Avignon’s Superior Art School  in collaboration with the laboratory of Chemistry applied to Art and Archeology (university of Avignon, GEM’INNOV and MINOLTA Ets. It focuses on the  physico-chimical features of “Thermosensitive” colors.

A Universal Crease Pattern for Folding Orthogonal Shapes

Science.gov (United States)

2009-09-29

Demaine∗† Martin L. Demaine∗ Aviv Ovadya∗ Abstract We present a universal crease pattern—known in geometry as the tetrakis tiling and in origami as box...13. SUPPLEMENTARY NOTES 14. ABSTRACT We present a universal crease pattern?known in geometry as the tetrakis tiling and in origami as box pleating... origami . Computational Geometry : The- ory and Applications, 16(1):3–21, 2000. [DO07] Erik D. Demaine and Joseph O’Rourke. Geometric Folding Al- gorithms

Post-recombination early Universe cooling by translation-internal inter-conversion: The role of minor constituents.

Science.gov (United States)

McCaffery, Anthony J

2015-09-14

Little is known of the mechanism by which H and H2, the principal constituents of the post-re-combination early Universe, cooled sufficiently to permit cluster formation, nucleosynthesis, and, eventually, the formation of structured objects. Radiative decay primarily cools the internal modes of H2, as Δj = - 2 jumps accompany quadrupolar emission. This, however, would be a self-limiting mechanism. In this work, a translational energy cooling mechanism based on collision-induced, translation-to-internal mode conversion, is extended, following an earlier study [A. J. McCaffery and R. J. Marsh, J. Chem. Phys. 139, 234310 (2013)] of ensembles comprising H2 in a H atom bath gas. Here, the possible influence of minor species, such as HD, on this cooling mechanism is investigated. Results suggest that the influence of HD is small but not insignificant. Conversion is very rapid and an overall translation-to-internal energy conversion efficiency of some 5% could be expected. This finding may be of use in the further development of models of this complex phase of early Universe evolution. An unexpected finding in this study was that H2 + HD ensembles are capable of very rapid translation-to-internal conversion with efficiencies of >40% and relaxation rates that appear to be relatively slow. This may have potential as an energy storage mechanism.

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.

Hidrotermālās apstrādes procesa ietekme uz Ca un Sr hidroksilapatītiem un to analīze

OpenAIRE

Aksjonova, Viktorija

2015-01-01

Hidrotermālās apstrādes procesa ietekme uz Ca un Sr hidroksilapatītiem un to analīze. Aksjonova V., zinātniskā vadītāja: docente Dr.chem. Osīte A.. Bakalaura darbs, 28 lpp., 7 attēli, 25 literatūras avoti, 6 pielikumi, latviešu valodā. Darbā veikta ar stronciju aizvietotu hidroksilapatītu un hidroksilapatītu sintēze, sintezēto paraugu hidrotermāla apstrāde un iegūto paraugu raksturošana ar XRD un FTIR metodēm. Bakalaura darbā apkopota literatūra par hidroksilapatītu, stroncija hidrok...

Critical contrastive rhetoric: The influence of L2 letter writing instruction on L1letter writing

Directory of Open Access Journals (Sweden)

Mehrnoosh Fakharzadeh

2014-08-01

Full Text Available The present study employed critical contrastive rhetoric to investigate the L2 to L1 transfer of organizational pattern and directness level of speech acts in business complaint letters. By examining the L1 complaint letters of 30 tourism university students in two phases of study, pre and post instruction of English complaint letter, the study revealed that the rhetorical organization of Persian letters are in a state of hybridity. The post instruction comparison of letters, however, showed a tendency towards applying English conventions both in organization and directness level of complaint speech act in the L1 complaint letters. The results also revealed that after instruction the expert in the field of tourism viewed some letters as inappropriate in terms of politeness which is reflected through some lexical items.

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

Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

Science.gov (United States)

Mulder, F. M.; Dingemans, T. J.; Schimmel, H. G.; Ramirez-Cuesta, A. J.; Kearley, G. J.

2008-07-01

Hydrogen adsorption in porous, high surface area, and stable metal organic frameworks (MOF's) appears a novel route towards hydrogen storage materials [N.L. Rosi, J. Eckert, M. Eddaoudi, D.T. Vodak, J. Kim, M. O'Keeffe, O.M. Yaghi, Science 300 (2003) 1127; J.L.C. Rowsell, A.R. Millward, K. Sung Park, O.M. Yaghi, J. Am. Chem. Soc. 126 (2004) 5666; G. Ferey, M. Latroche, C. Serre, F. Millange, T. Loiseau, A. Percheron-Guegan, Chem. Commun. (2003) 2976; T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle, M. Henry, T. Bataille, G. Férey, Chem. Eur. J. 10 (2004) 1373]. A prerequisite for such materials is sufficient adsorption interaction strength for hydrogen adsorbed on the adsorption sites of the material because this facilitates successful operation under moderate temperature and pressure conditions. Here we report detailed information on the geometry of the hydrogen adsorption sites, based on the analysis of inelastic neutron spectroscopy (INS). The adsorption energies for the metal organic framework MOF5 equal about 800 K for part of the different sites, which is significantly higher than for nanoporous carbon materials (˜550 K) [H.G. Schimmel, G.J. Kearley, M.G. Nijkamp, C.T. Visser, K.P. de Jong, F.M. Mulder, Chem. Eur. J. 9 (2003) 4764], and is in agreement with what is found in first principles calculations [T. Sagara, J. Klassen, E. Ganz, J. Chem. Phys. 121 (2004) 12543; F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113]. Assignments of the INS spectra is realized using comparison with independently published model calculations [F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113] and structural data [T. Yildirim, M.R. Hartman, Phys. Rev. Lett. 95 (2005) 215504].

L2 Reading Ability: Further Insight into the Short-Circuit Hypothesis.

Science.gov (United States)

Taillefer, Gail F.

1996-01-01

Discusses the notion of a language proficiency threshold that short circuits the transfer of reading ability from the native language (L1) to a second language (L2). This study, in which cognitive complexity of tasks and students' L2 proficiency levels vary, focuses on university students in France reading preprofessional English texts. (39…

Urinary phthalate metabolites and environmental phenols in university students in South China.

Science.gov (United States)

Zhang, Xue-Mei; Lou, Xiang-Ying; Wu, Liu-Hong; Huang, Cong; Chen, Da; Guo, Ying

2018-04-14

In China, university students have unique lifestyles compared with the rest of the youth population, as they are almost entirely isolated in campuses. The number of university students is large, and since students represent the future of human reproduction, exposure to environmental endocrine disruptors (EEDs) may have a large impact on society. In this study, levels of several EEDs, including phthalate metabolites, parabens, bisphenol A (BPA) and its analogues, triclosan (TCS), and benzophenone-3, were determined in 169 urine samples collected from university students in Guangzhou, South China. In addition, to further understand the potential sources of EEDs in their daily lives, a survey of students' lifestyles was conducted. Based on the urinary concentrations of EEDs and the survey results, daily exposure doses of target EEDs and their potential sources were investigated. Our results indicated that nine phthalate metabolites, three parabens, and BPA were ubiquitous (detection frequency > 60%) in the urine of university students. The concentrations of total phthalates (median: 99.4 µg L -1 ) were orders of magnitude higher than those of total parabens (7.30 µg L -1 ) and of other environmental phenols (0.40 µg L -1 ). Significantly higher concentrations of phthalates, parabens, and TCS were found in female versus male students, partly due to the higher usage of personal care products (PCPs) by female students (p Chinese universities. Copyright © 2018. Published by Elsevier Inc.

Isolation of eukaryotic ribosomal proteins. Purification and characterization of 60 S ribosomal subunit proteins L3, L6, L7', L8, L10, L15, L17, L18, L19, L23', L25, L27', L28, L29, L31, L32, L34, L35, L36, L36', and L37'.

Science.gov (United States)

Tsurugi, K; Collatz, E; Todokoro, K; Wool, I G

1977-06-10

The proteins of the large subunit of rat liver ribosomes were separated into seven groups by stepwise elution from carboxymethylcellulose with LiCl at pH 6.5. Twenty-one proteins (L3, L6, L7', L8, L10, L15, L17, L18, L19, L23', L25, L27', L28, L29, L31, L32, L34, L35, L36, L36', and L37') were isolated from three groups (C60, E60, and F60) by ion exchange chromatography on carboxymethycellulose and by filtration through Sephadex. The amount of protein obtained varied from 0.3 to 25 mg. Nine of the proteins (L6, L8, L18, L27', L28, L29, L34, L36, and L36') had no detectable contamination: the impurities in the others were no greater than 9%. The molecular weight of the proteins was estimated by polyacrylamide gel electrophoresis in sodium dodecyl sulfate; the amino acid composition was determined.

The Department of Surgery: Stellenbosch University

African Journals Online (AJOL)

Enrique

of the areas in which the breast clinic, in particular, played a leading role was to pioneer fine-needle aspiration cytology as diagnostic modality for the diagnosis of breast cancer.4 Early. General Surgery. The Department of Surgery: Stellenbosch. University. BRIAN L. WARREN, M.MED. (CHIR.), F.C.S. (S.A.), F.R.C.S. (EDIN.).

Clifford algebras, noncommutative tori and universal quantum computers

OpenAIRE

Vlasov, Alexander Yu.

2001-01-01

Recently author suggested [quant-ph/0010071] an application of Clifford algebras for construction of a "compiler" for universal binary quantum computer together with later development [quant-ph/0012009] of the similar idea for a non-binary base. The non-binary case is related with application of some extension of idea of Clifford algebras. It is noncommutative torus defined by polynomial algebraic relations of order l. For l=2 it coincides with definition of Clifford algebra. Here is presente...

Self-Absorption Studies with a 4 {pi} {beta}-Proportional Flow Counter; Etudes sur l'autoabsorption avec un compteur {beta} 4 {pi} proportionnel a courant; Izuchenie samopogloshcheniya pri pomoshchi {beta} proportsional'no-potochnogo 4 {pi} schetchika; Estudios sobre autoabsorcion con un contador de flujo proporcional {beta}4 {pi}

Energy Technology Data Exchange (ETDEWEB)

Yaffe, L; Fishman, J B [Radiochemistry Laboratory, Dept. of Chemistry, McGill University, Montreal, Quebec (Canada)

1960-06-15

Self-absorption studies of {beta} emitters have been made by means of the techniques outlined by Pate and Yaffe [Can. J. Chem. 34, 265 (1956)]. Volatile compounds of H''3, C''1''4, Co''6''0, Hg''2''0''3, As''7''7, and P{sup 32} (E{sub max} ranging from 0.018 to 1.7 MeV) were distilled on to thin VYNS mounts and the self-absorption characteristics determined. An empirically determined series of curves relating E{sub max}, source thickness, and self-absorption is given. The self-absorption data have been subjected to a theoretical analysis for counters of small angle and 4{pi} geometry. The experimentally determined self-absorption curves for 4 {pi} geometry lie in between the theoretical small angles and 4 {pi} geometry curves. (author) [French] Des etudes sur l'autoabsorption des emetteurs {beta} ont ete faites selon les techniques indiquees par Pate and Yaffe [Can. J. Chem. 34, 265 (1956)]. Des composes volatils de H{sup 3}, S{sup 14}, Co{sup 60}, Hg{sup 203}, As{sup 77} et P{sup 32} (E{sub max} allant de 0,018 a 1,7 MeV), ont ete recueillis par distillation sur des supports minces en resine vynilique (VYNS) et les caracteristiques de l'autoabsorption ont ete determinees. Le memoire contient une serie de courbes determinees empiriquement, qui donnent les relations entre E{sub max} l'epaisseur de la source et l'autoabsorption . Les donnees sur l'autoabsorption ont fait l'objet d'une analyse theorique pour les compteurs a geometrie de petit angle solide et 4 {pi}. Les courbes d'auto- absorption determinees experimentalemen t pour la geometrie 4 {pi} sont comprises entre les courbes theoriques correspondant a la geometrie de petit angle solide et a la geometrie 4 {pi}. (author) [Spanish] Les autores han estudiado la autoabsorcion de los emisores {beta} utilizando las tecnicas descritas por Pate y Yaffe [Can. J. Chem. 34, 265 (1956)]. Han destilado compuestos volatiles de H{sup 3}, S{sup 14}, So{sup 60}, Hg{sup 203}, As{sup 77} y P{sup 32} (E{sub max} comprendida

Food patterns and nutritional assessment in Galician university students.

Science.gov (United States)

Porto-Arias, José J; Lorenzo, Tania; Lamas, Alexandre; Regal, Patricia; Cardelle-Cobas, Alejandra; Cepeda, Alberto

2018-02-01

The access of the young people to the university marks a fundamental break in their lives that may also result in a substantial change in their dietary habits. The aim of this study was to characterize the food patterns, body composition and biochemical profiles of Galician university students from the University of Santiago de Compostela (Campus de Lugo). A total of 62 students participated in this survey. For each individual, anthropometric parameters, blood pressure, blood glucose and lipid profile were measured. Also, the participants filled questionnaires of dietary habits, Mediterranean and Atlantic diet adherence, risk of type II diabetes and physical activity, lifestyle and personal and family histories. A BMI within the normal range was shown by 72% of students. Eight volunteers (12.90%) presented high levels of total cholesterol (>200 mg/dL), and 54.55% of women had levels of HDL-cholesterol above 60 mg/dL. Five students had levels of glucose above 100 mg/dL, being four men and one woman. None of the participants presented high blood pressure, but 11.29% were in pre-hypertension status. The intake of carbohydrates was below the recommendations, while protein and lipids were above. There was an excessive consumption of bakery, alcohol beverages, sausages and ready-made food. The students showed medium adherence to Atlantic and Mediterranean diet and low risk of type II diabetes mellitus and a sedentary lifestyle. Since university students are a group especially prone to poor dietary habits, it seems necessary to promote changes towards healthier meals and rescue the Mediterranean-like dietary pattern.

Transient intermediates are populated in the folding pathways of single-domain two-state folding protein L

Science.gov (United States)

Maity, Hiranmay; Reddy, Govardhan

2018-04-01

Small single-domain globular proteins, which are believed to be dominantly two-state folders, played an important role in elucidating various aspects of the protein folding mechanism. However, recent single molecule fluorescence resonance energy transfer experiments [H. Y. Aviram et al. J. Chem. Phys. 148, 123303 (2018)] on a single-domain two-state folding protein L showed evidence for the population of an intermediate state and it was suggested that in this state, a β-hairpin present near the C-terminal of the native protein state is unfolded. We performed molecular dynamics simulations using a coarse-grained self-organized-polymer model with side chains to study the folding pathways of protein L. In agreement with the experiments, an intermediate is populated in the simulation folding pathways where the C-terminal β-hairpin detaches from the rest of the protein structure. The lifetime of this intermediate structure increased with the decrease in temperature. In low temperature conditions, we also observed a second intermediate state, which is globular with a significant fraction of the native-like tertiary contacts satisfying the features of a dry molten globule.

Fluorinated Materials for Air-stable and Moisture-resistant Flexible Optoelectronics

Science.gov (United States)

2014-01-02

Kim Jong , H.; Shin, S.; Yang, H.; An, B.-K.; Yang, L.; Park Soo, Y. Adv Mater 2012, 24, 911-915; (c) Geng, Y.; Li, H.-B.; Wu, S.-X.; Su, Z.-M. J...Park, J.-U.; Shir, D. J.-L.; Nam , Y.-S.; Jeon, S.; Rogers, J. A. Chem. Rev. 2007, 107, 1117-1160; (g) Murphy, A. R.; Frechet, J. M. J. Chem. Rev. 2007...2649-2655; (w) Song, H.-J.; Kim , D.-H.; Lee, E.-J.; Heo, S.-W.; Lee, J.-Y.; Moon, D.-K. Macromolecules (Washington, DC, U. S.) 2012, 45, 7815- 7822; (x

Encontre Internacional Noves fronteres de la ciència, l'art i el pensament : física de l'estètica

CERN Document Server

Perello, Josep; Física de l'estètica : noves fronteres de la ciència, l'art i el pensament

2006-01-01

Recopilació dels textos de les reflexions que van tenir lloc en l'encontre internacional "Noves fronteres de la ciència, l'art i el pensament. Física de l'estètica", celebrat els dies 6 i 7 de setembre de 2005 a l'Auditori Caixa Catalunya-l a Pedrera de Barcelona. En la trobada es plantejaren preguntes universals relati ves als límits de la nostra percepció, al disseny de la matèria o a la narrativa de la complexitat circumdant. Va comptar amb la collaboración de personalitats d'àmbits no científics que, des de la seva perspectiva, contribuiren a destil·l ar l'estètica emanada de les tendències contemporànies d'aquesta disciplina cien tífica.

Assessment of Iodine Status among Hostel Employees and Students of a University in Islamabad, Pakistan

International Nuclear Information System (INIS)

Rafi, M.; Tufail, M.; Chaudhry, M.M.; Irfan, N.

2010-01-01

Iodine deficiency and related disorders are the major health hazard in the world, especially along the Himalayas. A study has been carried out to assess the status of iodine in students and employees living in the hilly area in the premises of a university in Islamabad, Pakistan. The study was carried out for 76 students living in university hostels and 32 employees serving in the hostels. Urinary iodide excretion (UIE) was used as the biochemical marker of iodine concentration in the donors. Catalytic kinetic method based on Sandell-Kolthoff reaction was employed for the measurement of iodine concentration in the samples of urine. Out of 76 students, 8% had UIE greater or equal to 100 mg/L, while 39% had between 50-99 mg/L, 49% had between 20-49 mg/L and 4% had < 20 mg/L, resulting in mild, moderate and severe iodine deficiency, respectively. Similarly, out of 32 employees, 22% had UIE greater or equal 100 mg/L while 28% had between 50-99 mg/L, 44% had between 20-49 mg/L and 6% had < 20 mg/L, resulting in mild, moderate and severe iodine deficiency, respectively. Target groups of the study area were iodine deficient, indicating mild to severe iodine deficiency. The iodine level in the employees was relatively better than that in the students. Improvement of iodine status is recommended among the students and employees by the mandatory use of iodized salt in all the cafeterias of the university. (author)

Studies towards C-3 functionalization of β-lactams using substituted ...

Indian Academy of Sciences (India)

β-lactams using substituted allylsilanes. 1753. 2. Mascaretti O A, Boschetti C E, Danelon G O, Mata E G and Roveri O A 1995 Current Med. Chem. 1 441. 3. Hatanaka N, Abe R and Ojima I 1981 Chem. Lett. 10 1297. 4. O'Boyle N, Carr M, Greene L, Bergin O, Nathwani S,. McCabe T, Lloyd D, Zisterer D and Meegan M 2010.

Vocabulary Acquisition in L2: Does CALL Really Help?

Science.gov (United States)

Averianova, Irina

2015-01-01

Language competence in various communicative activities in L2 largely depends on the learners' size of vocabulary. The target vocabulary of adult L2 learners should be between 2,000 high frequency words (a critical threshold) and 10,000 word families (for comprehension of university texts). For a TOEIC test, the threshold is estimated to be…

Perspectives of cooperation of the L.N. Gumilev Eurasian State University and Institute of Nuclear Physics of the National Nuclear Center of the Republic of Kazakhstan

International Nuclear Information System (INIS)

Zholdasbekov, M.Zh.; Donbaev, K.M.; Kadyrzhanov, K.K.

2001-01-01

It is noted, that one of a modern tendency in development both science and education in CIS and Kazakhstan is its step-by-step integration. For purpose of further development of scientific trends in physics field the agreement on cooperative activity between the L.N. Gumilev Eurasian State University and Institute of Nuclear Physics of the National Nuclear Center of the Republic of Kazakhstan was concluded (2000, November 18). The principle aim of the cooperative activity of the sides is conducting of fundamental and applied studies on solid state physics, nuclear physics, radioecological problems of the Astana town and development of science-intensive technologies. For realization of this task the Astana Filial of Institute of Nuclear Physics is established at the University. In particularly, on the ground of this cooperation the implementation of Inter-disciplinary Research Complex with heavy ion accelerator was initiated. Such accelerator could be used for the scientific researches, training of students and postgraduates, and different technological purposes

Symptomatic Dry Eye and Its Associated Factors: A Study of University Undergraduate Students in Ghana.

Science.gov (United States)

Asiedu, Kofi; Kyei, Samuel; Boampong, Frank; Ocansey, Stephen

2017-07-01

To estimate the prevalence and risk factors of symptomatic dry eye disease (DED) among undergraduate students in a Ghanaian university. This cross-sectional study included 700 undergraduate students of the University of Cape Coast, aged 18 to 34 years. Participants completed questionnaires delivered directly to randomly and systematically selected subjects to detect symptomatic dry eye and its predictive factors. Symptomatic dry eye was defined as any reported symptom on the Standard Patient Evaluation Eye Dryness (SPEED) questionnaire reported as often or constant or if any symptom on the Ocular Surface Disease Index (OSDI) was reported as most of the time or all of the time. Furthermore, OSDI ≥13 and SPEED ≥6 were used to defined symptomatic dry eye and prevalence were also estimated with these criteria as secondary measures. Current symptoms of dry eye and possible risk factors such as age, gender, current alcohol drinking, use of oral contraceptives, use of computer more than an hour daily, environmental conditions, allergies, and self-medication with over-the-counter eye drops were the main outcome measures. We used logistic regression analysis to examine the associations between dry eye and its predictive factors. Of the 700 participants, 650 completed the questionnaire. The prevalence of symptomatic dry eye was 44.3% (95% confidence interval [CI], 40.6%-48.2%). There was a significant association between symptomatic dry eye and discomfort with eyes in windy conditions (χ=110.1; df=4; Peye drops (OR 4.20; 95% CI, 2.61-6.74; Pdry eye. Sex was predictive in univariate analysis but was not significantly associated in multivariate analysis. The prevalence of symptomatic dry eye among undergraduate students in Ghana is high and it is associated with self-medication with over-the-counter eye drops, allergies, use of oral contraceptive, windy conditions, very low humid areas, air-conditioned rooms, and sex. Relevant input directed against modifiable risks

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.

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

Full Text Available Liquid-phase pKa values play a key role in food science. Chemical properties of molecules depend largely on whether they are ionized or not. Most organic molecules are capable of gaining and/or losing a proton in aqueous solutions. Proton transfer most. frequently occurs between water and any ionizable atom of the organic molecule. The molecule’s response to profanation or deprotonation depends significantly on the site that was disturbed by proton transfer. Partial charge distribution in the molecule also varies with protonation of the acidlbase active sites. Then it can he used to determine the pKa of a molecule. First, we use the COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical thermodynamics treatment fin- more Realistic Solvation (RS simulations, for the direct prediction of pKa constants of about 50 molecules (amino-acids, dipeptides and tripeptides. Then, we compare our results with experimental data and the pKa values predicted using two other methods. We used respectively the ChemAxon method using a program based on the calculation of partial charge of atoms in the molecule and the ACD/Labs method that enables to calculate single pKa values. for all possible dissociation centers when the rest of the molecule is considered neutral, using an internal database containing chemical structures and their experimental pKa values. The averaged Root Mean Square Error (RMSE of the predicted pKa values for each method compared to experimental results were respectively 0.596 for COSMO-RS, 0.445 for ChemAxon and 0.490 for ACD/Labs. While ACDILabs and ChemAxon are parameterized using a large set ofexperimental data (including several of the studied molecules, the COSMO- RS method was used in a fully predictive way. Regarding these results, COSMO-RS appears as a promising method to predict the pKa values of molecules of interest in food science with scarce available pKa values such

The Relationship between Spirituality and Quality of Life among University Students: An Autoregressive Cross-Lagged Panel Analysis

Science.gov (United States)

Lau, Wilfred W. F.; Hui, C. Harry; Lam, Jasmine; Lau, Esther Y. Y.; Cheung, Shu-Fai

2015-01-01

University represents a critical transition from secondary school. University students are exposed to many new opportunities and intellectual stimulations, and some may find university life stressful and demanding. The quality of life (QoL) of university students is thus an important topic for researchers and educators alike. Furthermore, many…

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.

Board and Deans of Amsterdam University, Netherlands

CERN Document Server

Patrice Loïez

2001-01-01

L. to r.: Dr Thomas Taylor, CERN IT Deputy Division Leader; Prof. Dymph C. van den Boom, Dean Faculty of Social and Behavioural Sciences, Professor in Empirical Thoretical Pedagogy; Prof. Jos Engelen, NIKHEF/University of Amsterdam, Dutch Delegate to the Scientific Policy Committee and Chairman of the LHC Committee; Prof. Jacob van der Gaag, Dean Faculty of Economic Science and Econometry, Professor in Developmenteconomy;Mr Jan van der Boon, CERN Director of Admnistration; Prof. Jan Robert Bausch, Dean Faculty of Dental Medicine, Professor in general Dentistry; Dr Sijbolt J. Noorda, President of the Board of the University of Amsterdam.

Resonance – Journal of Science Education | News

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 22; Issue 11. Science Academies' Refresher Course on Bioprospection of Bioresources: Land to Lab Approach. Information and Announcements Volume 22 Issue 11 November 2017 pp 1101-1101 ...

On the theory of Ostwald ripening: formation of the universal distribution

International Nuclear Information System (INIS)

Alexandrov, D V

2015-01-01

A theoretical description of the final stage of Ostwald ripening given by Lifshitz and Slyozov (LS) predicts that after long times the distribution of particles over sizes tends to a universal form. A qualitative behavior of their theory has been confirmed, but experimental particle size distributions are more broad and squat than the LS asymptotic solution. The origin of discrepancies between the theory and experimental data is caused by the relaxation of solutions from the early to late stages of Ostwald ripening. In other words, the initial conditions at the ripening stage lead to the formation of a transition region near the blocking point of the LS theory and completely determine the distribution function. A new theoretical approach of the present analysis based on the Slezov theory (Slezov 1978 Formation of the universal distribution function in the dimension space for new-phase particles in the diffusive decomposition of the supersaturated solid solution J. Phys. Chem. Solids 39 367–74; Slezov 2009 Kinetics of First-Order Phase Transitions (Weinheim: Wiley, VCH)) focuses on a relaxation dynamics of analytical solutions from the early stage of Ostwald ripening to its concluding state, which is described by the LS asymptotic regime. An algebraic equation for the boundaries of a transition layer independent of all material parameters is derived. A time-dependent function ε(τ) responsible for the evolution of solutions at the ripening stage is found. The distribution function obtained is more broad and flat than the LS asymptotic solution. The particle radius, supersaturation and number density as functions of time are determined. The analytical solutions obtained are in good agreement with experimental data. (paper)

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...

phenylalanine and l-tyrosine as chiral micellar media for the cat

African Journals Online (AJOL)

potential chiral micellar catalysts for the Diels-Alder reaction between methyl acrylate and .... hydrophobic effects, electrostatic interactions and the accompanying medium effects. In the case .... liquids as effective organocatalysts for Diels-Alder reaction. Green Chem. 2014, 16 .... Colloids and Surfaces A: Physicochem.

New Perspectives on the Search for a Parity Violation Effect in Chiral Molecules

Science.gov (United States)

Auguste, F.; Tokunaga, S. K.; Shelkovnikov, A.; Daussy, C.; Amy-Klein, A.; Chardonnet, C.; Darquie, B.

2013-06-01

Parity violation (PV) effects have so far never been observed in chiral molecules. Originating from the weak interaction, PV should lead to frequency differences in the rovibrational spectra of the two enantiomers of a chiral molecule. However the smallness of the effect represents a very difficult experimental challenge. We propose to compare the rovibrational spectra (around 10 μm) of two enantiomers, recorded using the ultra-high resolution spectroscopy technique of Doppler-free two-photon Ramsey interferometry in a supersonic molecular beam. With an alternate beam of left- and right-handed molecules and thanks to our expertise in the control of the absolute frequency of the probe CO_2 lasers, we should reach a fractional sensitivity better around 10^{-15} (a few tens of millihertz), on the frequency difference between enantiomers. We will review our latest results on the high-resolution spectroscopy, either in cell or in a supersonic beam, of methyltrioxorhenium. B. Darquié, C. Stoeffler, A. Shelkovnikov, C. Daussy, A. Amy-Klein, C. Chardonnet, S. Zrig, L. Guy, J. Crassous, P. Soulard, P. Asselin, T. R. Huet, P. Schwerdtfeger, R. Bast and T. Saue, Chirality 22, 870 (2010). C. Stoeffler, B. Darquié, A. Shelkovnikov, C. Daussy, A. Amy-Klein, C. Chardonnet, L. Guy, J. Crassous, T. R. Huet, P. Soulard and P. Asselin, Phys. Chem. Chem. Phys. 13, 854 (2011). N. Saleh, S. Zrig, L. Guy, R. Bast, T. Saue, B. Darquié and J. Crassous, submitted to Phys. Chem. Chem. Phys. (2013).

A Transport and Diffusion Model for Smoke Munitions.

Science.gov (United States)

1979-08-01

oo cri r^ <a- CM «1- »*■ l-H CO in en oo in cri vo Tt 4- CO CO i-) CM tD Z LU —I ts Z O LU Z2 O _l Q (_> =3 O LU _l S» O I-H I...DX * ^ Pox -xceMTPOO/^*^11-) + DY*CP(»y - ycr»JTP(^J)/<SVdti- s = -BA t- apis- zstA/Jj/JiCr))1’ ct = C--^*cJ //=• ^cc - ue. -zr) GO TD s5?? P...50 FORMAT(1101 PRINT m.NRPV 14 FORMAT! IHQ , •NUMBER Of ROUNDS PER VOLLEY ’.It/ ? IHO.-IDEAL IMPACT POINTS •/ ’ •O".’ NO. •,6X

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

Isolation of eukaryotic ribosomal proteins. Purification and characterization of the 60 S ribosomal subunit proteins L4, L5, L7, L9, L11, L12, L13, L21, L22, L23, L26, L27, L30, L33, L35', L37, and L39.

Science.gov (United States)

Tsurugi, K; Collatz, E; Wool, E G; Lin, A

1976-12-25

The proteins of the large subunit of rat liver ribosomes were separated into seven groups by stepwise elution from carboxymethylcellulose with LiCl at pH 6.5. Seventeen proteins (L4, L5, L7, L9, L11, L12, L13, L21, L22, L23, L26, L27, L30, L33, L35', L37, and L39) were isolated from three of the groups (B60, D60, G60) by ion exchange chromatography on carboxymethylcellulose and by filtration through Sephadex. The amount of protein obtained varied from 0.5 to 15 mg. Eight of the proteins (L9, L11, L13, L21, L22, L35', L37 and L39) had no detectable contamination; the impurities in the others were no greater than 9%. The molecular weight of the proteins was estimated by polyacrylamide gel electrophoresis in sodium dodecyl sulfate; the amino acid composition was determined.

NSSEFF COMPUTATIONAL AND THEORETICAL DESIGN OF PHOTO AND MECHANORESPONSIVE MOLECULAR DEVICES

Science.gov (United States)

2016-11-10

piston ). Once we discovered reactions in this way, we realized that the reactions could then be studied with...Cluster Singles and Doubles via Tensor Hypercontraction: THC-CC2," J. Chem. Phys. 138, 124111 (2013). 26. E.G. Hohenstein, S.I.L. Kokkila, R.M...Singles and Doubles via Orbital-Weighted Least-Squares Tensor Hypercontraction," J. Chem. Phys. 140, 181102 (2014). 29. R.M. Parrish, E.G.

Synthesis of cyano-bridged bimetallic complexes of η5 -indenyl ...

Indian Academy of Sciences (India)

Unknown

Gamasa P M, Gimino J, Bernado C G and Martin-Vaca B M 1996 Organometallics 15 302. 15. Oro L A, Ciriano M A and Campo M 1985 J. Organomet. Chem. 289 117. 16. Bennet M A, Huang T N, Matheson T W and Smith A K 1982 Inorg. Syn. 21 74. 17. Blackmore T, Bruce M I and Stone F G A 1971 J. Chem. Soc. A 2376.

(nitro substituted-phenyl)-hydrazonomethyl

Indian Academy of Sciences (India)

7.14 (d, 1H, ArH), δ 7.36 (m, 2H, ArH), δ 7.47–7.51 (m,. 2H, ArH), δ 7.77 ..... Phys. Chem. A 115 1985; (d) Kang Y, Gwon K, Shin J H, ... (a) Zhang J F, Lim C S, Bhuniya S, Cho B R and Kim. J S 2011 Org. ... Chem. Rev. 240 1; (c) Sessler J L and.

Colorado State University (CSU) accelerator and FEL facility

NARCIS (Netherlands)

Milton, S.; Biedron, S.; Harris, J.; Martinez, J.; D'Audney, A.; Edelen, J.; Einstein, J.; Hall, C.; Horovitz, K.; Morin, A.; Sipahi, N.; Sipahi, T.; Williams, J.; Carrico, C.; Van Der Slot, P. J M

2014-01-01

The Colorado State University (CSU) Accelerator Facility will include a 6-MeV L-Band (1.3 GHz) electron linear accelerator (linac) with a free-electron laser (FEL) system capable of producing Terahertz (THz) radiation, a laser laboratory, a microwave test laboratory, and a magnetic test laboratory.

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.

B-L violating supersymmetric couplings

International Nuclear Information System (INIS)

Ramond, P.

1983-01-01

We consider two problems: one is the possible effect of the breaking of Peccei-Quinn symmetry on the inflationary universe scenario; the other is the remark that even the minimal supersymmetric SU 5 theory contains B-L violating couplings which give rise to neutrino masses and family-diagonal proton decay. However the strength of these couplings is limited by the gauge hierarchy

Universally composable oblivious transfer based on a variant of lPN

DEFF Research Database (Denmark)

David, Bernardo Machado; Dowsley, Rafael; Nascimento, Anderson C A

2014-01-01

Oblivious transfer (OT) is a fundamental two-party cryptographic primitive that implies secure multiparty computation. In this paper, we introduce the first OT based on the Learning Parity with Noise (LPN) problem. More specifically, we use the LPN variant that was introduced by Alekhnovich (FOCS...... 2003). We prove that our protocol is secure against active static adversaries in the Universal Composability framework in the common reference string model. Our constructions are based solely on a LPN style assumption and thus represents a clear next step from current code-based OT protocols, which...

Peptide Nanotube Reinforced Polymers: A System for Tunable, Composite Materials

Science.gov (United States)

2015-11-30

Mater. Chem. 2003, 13: 2414. CLP12 NPYHPTIPQSVH 12 Mineral templating Hydroxyapatite nucleation Langmuir 2011, 27: 7620. QBP1 PPPWLPYMPPWS 12...able to covalently bind GFP-SpyCatcher (Fig. scri t r ft J s i L , r r . fi ti l rti l t f r - i i l ir . r lti rti l - r t fi r r l

Azacitidine in the 'real-world': an evaluation of 1101 higher-risk myelodysplastic syndrome/low blast count acute myeloid leukaemia patients in Ontario, Canada.

Science.gov (United States)

Mozessohn, Lee; Cheung, Matthew C; Fallahpour, Saber; Gill, Tripat; Maloul, Asmaa; Zhang, Liying; Lau, Olivia; Buckstein, Rena

2018-06-01

The outcome of myelodysplastic syndrome (MDS) patients with uniformly higher-risk disease treated with azacitidine (AZA) in the 'real-world' remains largely unknown. We evaluated 1101 consecutive higher-risk MDS patients (International Prognostic Scoring System intermediate-2/high) and low-blast count acute myeloid leukaemia (AML; 21-30% blasts) patients treated in Ontario, Canada. By dosing schedule, 24·7% received AZA for seven consecutive days, 12·4% for six consecutive days and 62·9% by 5-2-2. Overall, median number of cycles was 6 (range 1-67) and 8 (range 6-14) when restricted to the 692 (63%) patients who received at least 4 cycles. The actuarial median survival was 11·6 months [95% confidence interval (CI) 10·7-12·4) for the entire cohort and 18·0 months (landmark analysis; 95% CI 16·6-19·1 months) for those receiving at least 4 cycles. There was no difference in overall survival (OS) between the 3 dosing schedules (P = 0·87). In our large 'real-world' evaluation of AZA in higher-risk MDS/low-blast count AML, we demonstrated a lower than expected OS. Reassuringly, survival did not differ by dosing schedules. The OS was higher in the 2/3 of patients who received at least 4 cycles of treatment, reinforcing the necessity of sustained administration until therapeutic benefits are realised. This represents the largest 'real-world' evaluation of AZA in higher-risk MDS/low-blast count AML. © 2018 John Wiley & Sons Ltd.

Geneva University: seminar of particle physics

CERN Multimedia

Geneva University

2012-01-01

GENEVA UNIVERSITY École de physique Département de physique nucléaire et corspusculaire 24, quai Ernest-Ansermet 1211 Genève 4 Tél.: (022) 379 62 73 Fax: (022) 379 69 92 Wednesday 9 May 2012 SEMINAR OF PARTICLE PHYSICS 11h15 - Science III, Auditoire 1S081 30 The Search for the Magnetic Monopole Dr Philippe Mermod - University of Geneva, DPNC It has long been realised that the existence of a magnetic monopole would be sufficient to explain the quantisation of electric charge, and to symmetrise Maxwell's equations. Furthermore, the monopole is an essential ingredient in Grand Unification theories. Primordial monopoles would have been produced in the Early Universe and still be present today, either in cosmic rays or trapped in matter. Monopoles of accessible masses would also be pair-produced at high-energy accelerators. Their remarkable properties can be exploited to devise various means of direct detection. After reviewin...

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).

On the universality of knot probability ratios

Energy Technology Data Exchange (ETDEWEB)

Janse van Rensburg, E J [Department of Mathematics and Statistics, York University, Toronto, Ontario M3J 1P3 (Canada); Rechnitzer, A, E-mail: rensburg@yorku.ca, E-mail: andrewr@math.ubc.ca [Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, BC V6T 1Z2 (Canada)

2011-04-22

Let p{sub n} denote the number of self-avoiding polygons of length n on a regular three-dimensional lattice, and let p{sub n}(K) be the number which have knot type K. The probability that a random polygon of length n has knot type K is p{sub n}(K)/p{sub n} and is known to decay exponentially with length (Sumners and Whittington 1988 J. Phys. A: Math. Gen. 21 1689-94, Pippenger 1989 Discrete Appl. Math. 25 273-8). Little is known rigorously about the asymptotics of p{sub n}(K), but there is substantial numerical evidence. It is believed that the entropic exponent, {alpha}, is universal, while the exponential growth rate is independent of the knot type but varies with the lattice. The amplitude, C{sub K}, depends on both the lattice and the knot type. The above asymptotic form implies that the relative probability of a random polygon of length n having prime knot type K over prime knot type L. In the thermodynamic limit this probability ratio becomes an amplitude ratio; it should be universal and depend only on the knot types K and L. In this communication we examine the universality of these probability ratios for polygons in the simple cubic, face-centred cubic and body-centred cubic lattices. Our results support the hypothesis that these are universal quantities. For example, we estimate that a long random polygon is approximately 28 times more likely to be a trefoil than be a figure-eight, independent of the underlying lattice, giving an estimate of the intrinsic entropy associated with knot types in closed curves. (fast track communication)

Two-dimensional partitioning of groundnut (Arachis hypogaea L ...

African Journals Online (AJOL)

YCA) was evaluated using a groundnut, (Arachis hypogaea L.) crop at four plant population densities or five thinning intensities (%) after flowering. The experiments were carried out during the 1989/90 cropping season at the University of ...

University Internationalization and University Autonomy

DEFF Research Database (Denmark)

Turcan, Romeo V.; Gulieva, Valeria

2016-01-01

Turcan and Gulieva deepen our theoretical understanding of the process of university internationalisation by exploring the relationship between university internationalisation and university autonomy. They conjecture that the process of university internationalisation and its sustainability are d......, dissimilar, and sometimes conflicting dimensions of the financial, legal, organisational, staffing, and academic autonomy of the host country, are compromising key aspects of their own autonomy and core mission?......Turcan and Gulieva deepen our theoretical understanding of the process of university internationalisation by exploring the relationship between university internationalisation and university autonomy. They conjecture that the process of university internationalisation and its sustainability...... are determined by the structure and exercise of university autonomy settings at home and in the host countries, and that the process itself cannot be successfully achieved and maintained without changes in the autonomy settings. The key question the authors ask is to what degree universities, in embracing new...

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.

Universe, stars, nuclei and particles: recent discoveries and new questions

International Nuclear Information System (INIS)

2002-01-01

The scientific community aims to reduce the apparent complexity of the Universe to some elementary physical laws. Our Universe Physics is described at any observation scale by a theoretical framework called ''standard model''. This document deals with the great questions of the today Physics trough the following standard models: the cosmos standard model, the stars standard model, the atomic nuclei standard model and the elementary particles Physics standard model. (A.L.B)

El canvi i la innovació en l'ensenyament de Biblioteconomia i Documentació a Europa

Directory of Open Access Journals (Sweden)

Virkus, Sirje

2015-12-01

Full Text Available L'objectiu principal d'aquest article és oferir una perspectiva de les tendències i avenços actuals en l'àmbit de l'ensenyament superior, així com il·lustrar algunes de les respostes que les institucions de Biblioteconomia i Documentació (BiD han donat davant d'aquests canvis. S'analitza la contribució que fan les institucions de BiD a la innovació i el canvi a Europa, mitjançant cinc estudis de cas duts a terme a les institucions següents: l'Institute of Information Science and Information Systems de la University of Graz (Àustria; l'Institute of Information Studies de la Tallinn University (Estònia; el Department of Library Science and Information Systems de l'Alexander Technological Educational Institute of Thessaloniki (Grècia; la Faculty of Communication de la Vilnius University (Lituània; i la Swedish School of Library and Information Science de la University of Borås (Suècia. Aquest treball complementa l'estudi de Virkus i Wood (2004, 2005, en el qual s'analitzaven les tendències i avenços registrats en l'ensenyament superior i les respostes que les institucions de BiD van donar davant d'aquests canvis. Es presenten els reptes més importants a què ha de fer front l'ensenyament de BiD sobre la base dels resultats de l'estudi.El objetivo principal de este artículo es ofrecer una perspectiva de las tendencias y los avances actuales en el ámbito de la enseñanza superior, así como ilustrar algunas de las respuestas que las instituciones de Biblioteconomía y Documentación (ByD han dado ante estos cambios. Se analiza la contribución que hacen las instituciones de ByD a la innovación y el cambio en Europa, mediante cinco estudios de caso llevados a cabo en las siguientes instituciones: el Institute of Information Science and Information Systems de la University of Graz (Austria; el Institute of Information Studies de la Tallinn University (Estonia; el Department of Library Science and Information Systems del Alexander

Does Morphology Play an Important Role in L2 Chinese Vocabulary Acquisition?

Science.gov (United States)

Zhang, Haomin

2016-01-01

The present study examined the role of morphological awareness in second language (L2) Chinese vocabulary acquisition through an investigation of linguistic universality and specificity underlying morphological awareness. Morphological awareness in this study was conceptualized as a universal and sharable cognitive resource as well as a…

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.

What Is the Optimum Strain for Pt Alloys for Oxygen Electroreduction?

DEFF Research Database (Denmark)

Escribano, Maria Escudero; Malacrida, Paolo; Velazquez-Palenzuela, Amado Andres

2015-01-01

demonstrate that we can engineer both the activity and stability by tuning the Pt-Pt distance. References [1] I.E.L. Stephens, A.S. Bondarenko, U. Grønbjerg, J. Rossmeisl, I. Chorkendorff, Energy Environ. Sci. 2012, 5, 6744. [2] S. Chen, H.A. Gasteiger, K. Hayakawa, T. Tada, Y. Shao-Horn, J. Electrochem. Soc....... 2010, 1571, A82. [3] M. Escudero-Escribano, et al., J. Am. Chem. Soc. 2012, 130, 16476. [4] P. Malacrida, M. Escudero-Escribano, A. Verdaguer-Casadevall, I.E.L. Stephens, I. Chorkendorff, J. Mater. Chem. A 2014, 2, 4234. [5] M. Escudero-Escribano, et al., to be submitted, 2014. [6] P. Strasser, et al...

Resonance – Journal of Science Education | News

Indian Academy of Sciences (India)

Science Academies' Refresher Course on Paradigms and Applications of Pattern Recognition in Image Processing and Computer Vision · More Details Fulltext PDF. pp 1101-1101 Information and Announcements. Science Academies' Refresher Course on Cell and Molecular Biology Techniques · More Details Fulltext PDF.

Joseph L Doob and Development of Probability Theory

Indian Academy of Sciences (India)

IAS Admin

(equivalent to BSc in India) in mathematics at the famous Harvard University, ... Doob says that the force of economic circumstances got him into probability theory. ... Books. J L Doob established probability theory as a major discipline of study ...

Ionisation of L subshells of heavy atoms by deuteron collision

International Nuclear Information System (INIS)

Sokhi, R.S.; Crumpton, D.; Trautmann, D.

1989-01-01

L i subshell ionisation cross sections for 1.2-3.0 MeV deuteron impact on thin targets of W, Au, Pb and Bi have been measured experimentally. Measurements were made with the Birmingham University's 3MV Dynamitron accelerator and the cross sections were deduced from the emitted L X-rays. These cross sections and their ratios have been compared graphically with the ECPSSR and RHSCA models. The ECPSSR model underestimates the measured L 2 subshell cross sections but shows very good agreement with the L 3 subshell values. The RHSCA theory in general exhibits good agreement with the measured cross sections for the L 1 and L 2 subshells but overestimates the L 3 cross sections by up to 60%. (orig.)

Hvad er et godt virtuelt læringsmiljø? Betydningen af klimaet i det medierede læringsrum

Directory of Open Access Journals (Sweden)

Maria Hvid Stenalt

2008-05-01

Full Text Available Vi vil i denne artikel pege på vigtigheden af at forholde sig til det virtuelle læringsklima i forbindelse med brug af virtuelle læringsmiljøer på universiteterne. I »Teaching for QualityLearning at University« (2003 inkluderer Biggs classroom climate som en vigtig faktor til at skabe sammenhæng i undervisningen og bruger graden af trustworthiness som en måde at beskrive et klima på. I artiklen anvender vi Biggs’ begreber i relation til et medieret læringsklima og undersøger, hvad der kan motivere og demotivere studerende til at engagere sig i et virtuelt læringsrum. Som centrale områder, der med fordel kan inddrages for at skabe et bedre virtuelt læringsklima for studerende, peger vi på faktorer såsom at udnytte den generelle udvikling hen imod web 2.0 samt en øget opmærksomhed på design og kommunikation.

TMFunction data: 409 [TMFunction[Archive

Lifescience Database Archive (English)

Full Text Available L383M;F398L ... yes LACTOSE UPTAKE (non toxic, reduced activity) TM 12; Lactose permease Escherichia coli ... Ste...wart C, Bailey J, Manoil C. J Biol Chem. 1998 Oct 23;273(43):28078-84 cassette muta

TMFunction data: 412 [TMFunction[Archive

Lifescience Database Archive (English)

Full Text Available L385R;L394F ... yes LACTOSE UPTAKE (non toxic, reduced activity) TM 12; Lactose permease Escherichia coli ... Ste...wart C, Bailey J, Manoil C. J Biol Chem. 1998 Oct 23;273(43):28078-84 cassette muta

Computational Tools and Resources for Metabolism-Related Property Predictions. 1. Overview of Publicly Available (Free and Commercial) Databases and Software

Science.gov (United States)

2012-01-01

inhibitors, kinetics, UGT substrates, clearance QSAR models [211] ADMEworks Predictor Fujitsu Commercial CYP-binding affinities QSAR models [253] CypScore...fragment energies pre- calculated using density functional theory . The second descriptor is a measure of how far each site is from the center of the...semiempirical molecular orbital theory . ChemMedChem 4(4), 657–669 (2009). 44 Rydberg P, Gloriam DE, Zaretzki J, Breneman C, Olsen L. SMARTCyp: A 2D method for

Speaking L2 in EFL Classes: Performance, Identity and Alterity

Science.gov (United States)

Forman, Ross

2014-01-01

When teachers and students use L2 in Expanding Circle, Asian EFL classes, what kind of interpersonal roles do they perform, and what does this mean for the development of L2-mediated identity? The notion of alterity, or otherness, is used here to analyse the extent to which identity work occurs in EFL classes located in a Thai university context.…

Characterization and immunogenicity of rLipL32/1-LipL21-OmpL1/2 fusion protein as a novel immunogen for a vaccine against Leptospirosis

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Zhao Xin

2015-01-01

Full Text Available Vaccination is an effective strategy to prevent leptospirosis, a global zoonotic disease caused by infection with pathogenic Leptospira species. However, the currently used multiple-valence vaccine, which is prepared with whole cells of several Leptospira serovars, has major side effects, while its cross-immunogenicity among different Leptospira serovars is weak. LipL32, LipL21 and 2 OmpL1 have been confirmed as surface-exposed antigens in all pathogenic Leptospira strains, but their immunoprotective efficiency needs to be improved. In the present study, we generated a fusion gene lipL32/1-lipL21-ompL1/2 using primer-linking PCR and an engineered E. coli strain to express the recombinant fusion protein rLipL32/1-LipL21-OmpL1/2 (rLLO. Subsequently, the expression conditions were optimized using a central composite design that increased the fusion protein yield 2.7-fold. Western blot assays confirmed that rLLO was recognized by anti-rLipL32/1, anti-rLipL21, and anti-rOmpL1/2 sera as well as 98.5% of the sera from leptospirosis patients. The microscopic agglutination test (MAT demonstrated that rLLO antiserum had a stronger ability to agglutinate the strains of different Leptospira serovars than the rLipL32/1, rLipL21, and rOmpL1/2 antisera. More importantly, tests in hamsters showed that rLLO provided higher immunoprotective rates (91.7% than rLipL32/1, rLipL21 and rOmpL1/2 (50.0-75.0%. All the data indicate that rLLO, a recombinant fusion protein incorporating three antigens, has increased antigenicity and immunoprotective effects, and so can be used as a novel immunogen to develop a universal genetically engineered vaccine against leptospirosis.

Heads of administration from the University of Bergen, Norway, visiting CERN

CERN Multimedia

AUTHOR|(CDS)2094367

2017-01-01

The faculty directors and heads of administration from the University of Bergen, Norway, visited CERN on November 6 2017. The group was received by Martin Steinacher, Director for Finance and Human Resources, Prof. Egil Lillestøl, honorary staff member and Jens Vigen, head librarian. The delegation from Bergen included: Kjell Bernstrøm, University Director, Øystein Iversen, Director for Faculty of Law, Tore Tungodden, Assistant University Director, Kari Fuglseth, Deputy Director General University Director´s Office, Laurice Høie, Higher Executive Officer University Director´s Office, Ingar Myking, Deputy Director General University Director´s Office, Alette Mykkeltvedt, Director for Faculty of Social Sciences, Elisabeth Lysebo, Director for Faculty of Mathematics and Natural Sciences, Kim Ove Hommen, Director for Faculty of Humanities, Kristin Nodland, Head of Administration University Museum, Synnøve Myhre, Director for Faculty of Fine Art, Music and Design, Ørjan Hauge, Assistant Director for Facu...

First-year University Students' Productive Knowledge of Collocations ...

African Journals Online (AJOL)

The present study examines productive knowledge of collocations of tertiary-level second language (L2) learners of English in an attempt to make estimates of the size of their knowledge. Participants involved first-year students at North-West University who sat a collocation test modelled on that developed by Laufer and ...

Uji Aktivitas Ekstrak Daun Seledri ( Apium graveolens L. terhadap Kumbang Kacang Callosobruchus chinensis L. (Coleoptera:Bruchidae

Directory of Open Access Journals (Sweden)

NI NENGAH DARMIATI

2015-09-01

Full Text Available The Activity Test of Celery Leaf Extract (Apium graveolens L. Against Bean Weevil, Callosobruchus cinensis L. (Coleoptera:Bruchidae The experiment was conducted at the Laboratory of Plant Pest and Disease Management,Department of Agroecotechnology, Faculty of Agriculture, Udayana University. The purpose of this experiment was to examine the activity of celery leaf extract against bean weevil, Callosobruchus chinensis L. The experiment was Randomized Complete Design, with five treatments of formulation concentration. The activities of celery leaf extract was indicated through i.e. contact poison test, repellent test, and the placement of eggs (oviposition test. The results showed that the celery leaf extract has activity as a contact poison with concentration 75% formulations caused over 50% death of the total insect. The extract with 100% concentration acted as a repellent and anti oviposition as well.

External meeting: Geneva University

CERN Multimedia

2006-01-01

Université de Genève Ecole de physique 24 quai Ernest Ansermet 1211 Genève 4 Tél : + 41 22 379 63 83 (secrétariat) Tél : + 41 22 379 62 56 (réception) Fax: + 41 22 379 69 22 Lundi 20 novembre 2006 COLLOQUIUM 17:00 - Auditoire Stückelberg Electrical correlation measurements in quantum nano-structures Dr. Stefan Oberholzer / Basel University Measuring the current-voltage characteristics of small conductors is widely used to characterize their electronic transport properties. In addition to such time-averaged measurements, correlation measurements between temporal fluctuations (noise) around the time-averaged mean current provide us with very important supplementary information about electrical transport. In this talk, I review our experimental work on shot noise, noise which originates from the granularity of charge and the diffraction of the electronic wave-function, and especially address the fundamental relation between electronic scattering experiments and the statistical properties of indist...

Is Less More? Effectiveness and Perceived Usefulness of Keyword and Full Captioned Video for L2 Listening Comprehension

Science.gov (United States)

Montero Perez, Maribel; Peters, Elke; Desmet, Piet

2014-01-01

The aim of this study was twofold: we investigated (a) the effect of two types of captioned video (i.e., on-screen text in the same language as the video) on listening comprehension; (b) L2 learners' perception of the usefulness of captions while watching L2 video. The participants, 226 university-level students from a Flemish university, watched…

Sélection d'un champignon filamenteux pour l'épuration des eaux ...

African Journals Online (AJOL)

Sci-Nat

A quantum mechanical/ molecular mechanical study of the hydroxylation of phenol and halogenated derivatives by phenol hydroxylase. J. Am. Chem. Soc. 122, 8728-8738. Vankova S., Reznickova I., & Hoffmann J., 2000. Respirometric observation of inhibitory effects of xenobiotics on aerobic respiration of activated sludge ...

Base Structure Annex to Manpower Requirements Report for FY 1982.

Science.gov (United States)

1981-01-01

1 0 x71 4 (1) w: 1- 1 0L)0 L) D -i w < - I-1 341 41) > 1- W W .1 a: LU -14 4 cW - ) < ( (a: UW -3: LLL 0 0 > 403 01- m 1101 - Z - WLUILL a: zaW LU D...8217h ir It’" t-di’p r ~ V I y> m "’ Ř)t’(’.’ll /Mn t t Air . 1r mud to adi ’, -oIe (I in t m ir- tn-o ’ i~~ ~ -P~h " I’ ’ii ,I i’ , in ne) !, tun ~Ot

Exploration des technologies de l'information et de la ...

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

Exploration des technologies de l'information et de la communication au service ... IDRC “unpacks women's empowerment” at McGill University Conference ... a new funding opportunity aimed at fostering effective, long-term climate action to ...

Regeneration of okra (Abelmoschus esculentus L.) via apical shoot ...

African Journals Online (AJOL)

USER

2012-10-25

Oct 25, 2012 ... esculentus L. Monech) N-550 line evolved at R&D, Nirmal Seeds Pvt. Ltd., was used as basic material ... Therefore, development of tissue culture protocols to induce .... Department of Botany, Rajshahi University, Bangladesh.

ware metaboliseerbare energiewaardes met stikstofkorreksies om ...

African Journals Online (AJOL)

from corn, wheat shorts and wheat bran. Cereal Chem.45,612. SWAIN, S. & FARRELL, D.J., 1975. Effects of different temperature regiments on bodycompositionandcarry-over effects on energy metabolism of growing chickens. Poult. Sct. 54, 5 13. TITUS, H.L., MEHRING jr., A.L., JOHNSON, jr., D., NESBITT, L. & TOMAS, T., ...

Role of L-alanine for redox self-sufficient amination of alcohols.

Science.gov (United States)

Klatte, Stephanie; Wendisch, Volker F

2015-01-23

In white biotechnology biocatalysis represents a key technology for chemical functionalization of non-natural compounds. The plasmid-born overproduction of an alcohol dehydrogenase, an L-alanine-dependent transaminase and an alanine dehydrogenase allows for redox self-sufficient amination of alcohols in whole cell biotransformation. Here, conditions to optimize the whole cell biocatalyst presented in (Bioorg Med Chem 22:5578-5585, 2014), and the role of L-alanine for efficient amine functionalization of 1,10-decanediol to 1,10-diaminodecane were analyzed. The enzymes of the cascade for amine functionalization of alcohols were characterized in vitro to find optimal conditions for an efficient process. Transaminase from Chromobacterium violaceum, TaCv, showed three-fold higher catalytic efficiency than transaminase from Vibrio fluvialis, TaVf, and improved production at 37°C. At 42°C, TaCv was more active, which matched thermostable alcohol dehydrogenase and alanine dehydrogenase and improved the 1,10-diaminodecane production rate four-fold. To study the role of L-alanine in the whole cell biotransformation, the L-alanine concentration was varied and 1,10.diaminodecane formation tested with constant 10 mM 1,10- decanediol and 100 mM NH4Cl. Only 5.6% diamine product were observed without added L-alanine. L-alanine concentrations equimolar to that of the alcohol enabled for 94% product formation but higher L-alanine concentrations allowed for 100% product formation. L-alanine was consumed by the E. coli biocatalyst, presumably due to pyruvate catabolism since up to 16 mM acetate accumulated. Biotransformation employing E. coli strain YYC202/pTrc99a-ald-adh-ta Cv, which is unable to catabolize pyruvate, resulted in conversion with a selectivity of 42 mol-%. Biotransformation with E. coli strains only lacking pyruvate oxidase PoxB showed similar reduced amination of 1,10-decanediol indicating that oxidative decarboxylation of pyruvate to acetate by PoxB is primarily