WorldWideScience

Sample records for include chemical analysis

  1. Multi trace element analysis of dry biological materials by neutron activation analysis including a chemical group separation

    International Nuclear Information System (INIS)

    Weers, C.A.

    1980-07-01

    Multi-element analysis of dry biological material by neutron activation analysis has to include radiochemical separation. The evaporation process is described in terms of the half-volume. The pretreatment of the samples and the development of the destruction-evaporation apparatus are described. The successive adsorption steps with active charcoal, Al 2 O 3 and coprecipitation with Fe(OH) 3 are described. Results obtained for standard reference materials are summarized. (G.T.H.)

  2. Aerosol simulation including chemical and nuclear reactions

    International Nuclear Information System (INIS)

    Marwil, E.S.; Lemmon, E.C.

    1985-01-01

    The numerical simulation of aerosol transport, including the effects of chemical and nuclear reactions presents a challenging dynamic accounting problem. Particles of different sizes agglomerate and settle out due to various mechanisms, such as diffusion, diffusiophoresis, thermophoresis, gravitational settling, turbulent acceleration, and centrifugal acceleration. Particles also change size, due to the condensation and evaporation of materials on the particle. Heterogeneous chemical reactions occur at the interface between a particle and the suspending medium, or a surface and the gas in the aerosol. Homogeneous chemical reactions occur within the aersol suspending medium, within a particle, and on a surface. These reactions may include a phase change. Nuclear reactions occur in all locations. These spontaneous transmutations from one element form to another occur at greatly varying rates and may result in phase or chemical changes which complicate the accounting process. This paper presents an approach for inclusion of these effects on the transport of aerosols. The accounting system is very complex and results in a large set of stiff ordinary differential equations (ODEs). The techniques for numerical solution of these ODEs require special attention to achieve their solution in an efficient and affordable manner. 4 refs

  3. The New version of Danish food composition database FRIDA including a case study on recipe calculation compared to a chemical analysis

    DEFF Research Database (Denmark)

    /French fry mix (n=16) had significant differences (Pfast food type with the largest difference between the two methods. Significance: Recipe calculation is a cost-effective alternative to chemical analysis in dietary assessment and nutrient labeling. But recipe...... and chemical analysis of fast food based on data from http://frida.fooddata.dk. Materials and methods: New fast food data in http://frida.fooddata.dk was based on 135 samples of ready to eat fast foods as burgers and sandwiches collected from fast food outlets, separated into their recipe components which were...... weighed. Typical components were bread, French fries, vegetables, meat, and dressings. The fast foods were analyzed and the content of energy, protein, saturated fat, iron, thiamin, potassium and sodium were compared to recipe calculation. Wilcoxon Signed Rank test, Spearman correlation coefficients...

  4. The New version of Danish food composition database FRIDA including a case study on recipe calculation compared to a chemical analysis

    DEFF Research Database (Denmark)

    Biltoft-Jensen, Anja Pia; Saxholt, Erling; Knuthsen, Pia

    %). Correlations ranged from 0.49 for iron to 0.75 for energy. Bland-Altman plots showed larger differences for higher contents for thiamin and potassium. Results depended on the type of fast food. For burgers (n=36) there was no significant difference for any of the nutrients between the two methods. Meat....../French fry mix (n=16) had significant differences (Pfast food type with the largest difference between the two methods. Significance: Recipe calculation is a cost-effective alternative to chemical analysis in dietary assessment and nutrient labeling. But recipe...... and chemical analysis of fast food based on data from http://frida.fooddata.dk. Materials and methods: New fast food data in http://frida.fooddata.dk was based on 135 samples of ready to eat fast foods as burgers and sandwiches collected from fast food outlets, separated into their recipe components which were...

  5. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  6. PM2.5 chemical composition at a rural background site in Central Europe, including correlation and air mass back trajectory analysis

    Science.gov (United States)

    Schwarz, Jaroslav; Cusack, Michael; Karban, Jindřich; Chalupníčková, Eva; Havránek, Vladimír; Smolík, Jiří; Ždímal, Vladimír

    2016-07-01

    PM2.5 mass concentrations and chemical compositions sampled over a 13-month period at a Central European rural background site (Košetice) are presented in this work. A comprehensive chemical analysis of PM2.5 was performed, which provided elemental composition (Al, Si, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, As, Se, Br, Rb, Sr, Y, Zr, and Pb) and the concentration of water-soluble inorganic anions (SO42 -, NO3-. Cl-, NO2-, Br-, and H2PO4-) and cations (Na+, NH4+, K+, Ca2 +, and Mg2 +), elemental and organic carbon (EC and OC), and levoglucosan. Spearman correlation coefficients between individual chemical species and particle number concentrations were calculated for the following six size ranges: 10-25 nm (N10-25), 25-50 nm (N25-50), 50-80 nm (N50-80), 80-150 nm (N80-150), 150-300 nm (N150-300), and 300-800 nm (N300-800). Average concentrations of individual species were comparable with concentrations reported from similar sites across Central Europe. Organic matter (OM) accounted for 45% of the PM2.5 mass (calculated from OC by a factor of 1.6), while the second most common component were secondary aerosols (SO42 -: 19%, NO3-: 14%, NH4+: 10%), which accounted for 43% of the mass. Based on levoglucosan analysis, 31% of OM was attributed to emissions associated with biomass burning (OMBB). EC concentrations, determined using the EUSAAR_2 thermal optical protocol, contributed 4% to PM2.5 mass. A total of 1% of the mass was attributed to a mineral matter source, while the remaining 6% was from an undetermined mass. Seasonal variations showed highest concentrations of NO3- and OMBB in winter, nitrate share in spring, and an increase in percentage of SO42 - and mineral matter in summer. The largest seasonal variation was found for species associated with wood and coal combustion (levoglucosan, K+, Zn, Pb, As), which had clear maxima during winter. Correlation analysis of different size fraction particle number concentrations was used to distinguish the influence

  7. Modeling Electric Double-Layers Including Chemical Reaction Effects

    DEFF Research Database (Denmark)

    Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

    2014-01-01

    A physicochemical and numerical model for the transient formation of an electric double-layer between an electrolyte and a chemically-active flat surface is presented, based on a finite elements integration of the nonlinear Nernst-Planck-Poisson model including chemical reactions. The model works...

  8. PM2.5 Chemical Composition at a Rural Background Site in Central Europe, Including Correlation and Air Mass Back Trajectory Analysis.

    Czech Academy of Sciences Publication Activity Database

    Schwarz, Jaroslav; Cusack, Michael; Karban, Jindřich; Chalupníčková, E.; Havránek, Vladimír; Smolík, Jiří; Ždímal, Vladimír

    176-177, JUL 1 (2016), s. 108-120 ISSN 0169-8095 R&D Projects: GA ČR(CZ) GAP209/11/1342; GA MŠk(CZ) LM2011019 EU Projects: European Commission(XE) 262254 - ACTRIS Institutional support: RVO:67985858 ; RVO:61389005 Keywords : rural aerosol * PM2.5 * chemical composition Subject RIV: CF - Physical ; Theoretical Chemistry; BG - Nuclear, Atomic and Molecular Physics, Colliders (UJF-V) Impact factor: 3.778, year: 2016

  9. PM2.5 Chemical Composition at a Rural Background Site in Central Europe, Including Correlation and Air Mass Back Trajectory Analysis.

    Czech Academy of Sciences Publication Activity Database

    Schwarz, Jaroslav; Cusack, Michael; Karban, Jindřich; Chalupníčková, E.; Havránek, Vladimír; Smolík, Jiří; Ždímal, Vladimír

    176-177, JUL 1 (2016), s. 108-120 ISSN 0169-8095 R&D Projects: GA ČR(CZ) GAP209/11/1342; GA MŠk(CZ) LM2011019 EU Projects: European Commission(XE) 262254 - ACTRIS Institutional support: RVO:67985858 ; RVO:61389005 Keywords : rural aerosol * PM2 .5 * chemical composition Subject RIV: CF - Physical ; Theoretical Chemistry; BG - Nuclear, Atomic and Molecular Physics, Colliders (UJF-V) Impact factor: 3.778, year: 2016

  10. Results of chemical analysis from the 2008-2009 National Rivers and Streams Assessment Survey, including persistent organic pollutants and pharmaceuticals

    Data.gov (United States)

    U.S. Environmental Protection Agency — In 2008-2009, fish are were collected from approximately 560 national streams, which included a representative subset of 154 urban river sites, which were in close...

  11. Chemical process hazards analysis

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-02-01

    The Office of Worker Health and Safety (EH-5) under the Assistant Secretary for the Environment, Safety and Health of the US Department (DOE) has published two handbooks for use by DOE contractors managing facilities and processes covered by the Occupational Safety and Health Administration (OSHA) Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119), herein referred to as the PSM Rule. The PSM Rule contains an integrated set of chemical process safety management elements designed to prevent chemical releases that can lead to catastrophic fires, explosions, or toxic exposures. The purpose of the two handbooks, ``Process Safety Management for Highly Hazardous Chemicals`` and ``Chemical Process Hazards Analysis,`` is to facilitate implementation of the provisions of the PSM Rule within the DOE. The purpose of this handbook ``Chemical Process Hazards Analysis,`` is to facilitate, within the DOE, the performance of chemical process hazards analyses (PrHAs) as required under the PSM Rule. It provides basic information for the performance of PrHAs, and should not be considered a complete resource on PrHA methods. Likewise, to determine if a facility is covered by the PSM rule, the reader should refer to the handbook, ``Process Safety Management for Highly Hazardous Chemicals`` (DOE- HDBK-1101-96). Promulgation of the PSM Rule has heightened the awareness of chemical safety management issues within the DOE. This handbook is intended for use by DOE facilities and processes covered by the PSM rule to facilitate contractor implementation of the PrHA element of the PSM Rule. However, contractors whose facilities and processes not covered by the PSM Rule may also use this handbook as a basis for conducting process hazards analyses as part of their good management practices. This handbook explains the minimum requirements for PrHAs outlined in the PSM Rule. Nowhere have requirements been added beyond what is specifically required by the rule.

  12. Chemical laser systems analysis

    Energy Technology Data Exchange (ETDEWEB)

    Doughty, J.R.

    1988-11-01

    This paper presents a means by which the chemical laser device weight can be minimized with respect to its performance and the device power minimized with respect to the target range. Chemical laser performance parameters such as the specific power and nozzle power flux are then used in conjunction with weight and propagation models to determine system effectiveness. A measure of merit is given by which systems can be contrasted. An illustrative example is included in which DF and Iodine laser systems are compared for an airborne scenario. 14 references.

  13. Chemical equilibrium of ablation materials including condensed species

    Science.gov (United States)

    Stroud, C. W.; Brinkley, K. L.

    1975-01-01

    Equilibrium is determined by finding chemical composition with minimum free energy. Method of steepest descent is applied to quadratic representation of free-energy surface. Solution is initiated by selecting arbitrary set of mole fractions, from which point on free-energy surface is computed.

  14. Chemical analysis report 2014

    International Nuclear Information System (INIS)

    Elbouzidi, Saliha; Elyahyaoui, Adil; Ghassan, Acil; Marah, Hamid

    2014-01-01

    This report highlights the results of chemical analyzes related to Major elements, traces and heavy metals carried out at the CNESTEN DASTE in Rabat (Morocco), on behalf of Senegal. These analyzes cover 120 samples. The report presents the analytical techniques used (parameters and methods), a legend and the results tables.

  15. Chemical analysis report 2015

    International Nuclear Information System (INIS)

    2015-01-01

    This report highlights the results of chemical analyzes of fluorides, bromides, lithium and boron carried out at the CNESTEN DASTE in Rabat (Morocco), on behalf of Senegal. These analyzes cover 120 samples. The report presents the analytical techniques used (parameters and methods), a legend and the results tables.

  16. 75 FR 9437 - Wacker Chemical Corporation Wacker Polymers Division a Subsidiary of Wacker Chemie AG Including...

    Science.gov (United States)

    2010-03-02

    ... Chemical Corporation Wacker Polymers Division a Subsidiary of Wacker Chemie AG Including On-Site Leased.... and Yoh Managed Staffing South Brunswick, NJ; Wacker Chemical Corporation Wacker Polymers Division a... of Wacker Chemical Corporation, Wacker Polymers Division, a subsidiary of Wacker Chemie AG, including...

  17. Designing monitoring programs for chemicals of emerging concern in potable reuse ⋯ What to include and what not to include?

    KAUST Repository

    Drewes, Jorg

    2012-11-01

    This study discussed a proposed process to prioritize chemicals for reclaimed water monitoring programs, selection of analytical methods required for their quantification, toxicological relevance of chemicals of emerging concern regarding human health, and related issues. Given that thousands of chemicals are potentially present in reclaimed water and that information about those chemicals is rapidly evolving, a transparent, science-based framework was developed to guide prioritization of which compounds of emerging concern (CECs) should be included in reclaimed water monitoring programs. The recommended framework includes four steps: (1) compile environmental concentrations (e.g., measured environmental concentration or MEC) of CECs in the source water for reuse projects; (2) develop a monitoring trigger level (MTL) for each of these compounds (or groups thereof) based on toxicological relevance; (3) compare the environmental concentration (e.g., MEC) to the MTL; CECs with a MEC/MTL ratio greater than 1 should be prioritized for monitoring, compounds with a ratio less than \\'1\\' should only be considered if they represent viable treatment process performance indicators; and (4) screen the priority list to ensure that a commercially available robust analytical method is available for that compound. © IWA Publishing 2013.

  18. Chemical substructure analysis in toxicology

    Energy Technology Data Exchange (ETDEWEB)

    Beauchamp, R.O. Jr. [Center for Information on Toxicology and Environment, Raleigh, NC (United States)

    1990-12-31

    A preliminary examination of chemical-substructure analysis (CSA) demonstrates the effective use of the Chemical Abstracts compound connectivity file in conjunction with the bibliographic file for relating chemical structures to biological activity. The importance of considering the role of metabolic intermediates under a variety of conditions is illustrated, suggesting structures that should be examined that may exhibit potential activity. This CSA technique, which utilizes existing large files accessible with online personal computers, is recommended for use as another tool in examining chemicals in drugs. 2 refs., 4 figs.

  19. Chemical Analysis Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Uses state-of-the-art instrumentation for qualitative and quantitative analysis of organic and inorganic compounds, and biomolecules from gas, liquid, and...

  20. Microprocessors in automatic chemical analysis

    International Nuclear Information System (INIS)

    Goujon de Beauvivier, M.; Perez, J.-J.

    1979-01-01

    Application of microprocessors to programming and computing of solutions chemical analysis by a sequential technique is examined. Safety, performances reliability are compared to other methods. An example is given on uranium titration by spectrophotometry [fr

  1. Chemical Analysis for Nuclear Industry

    International Nuclear Information System (INIS)

    Han, Sun Ho; Kim, D. Y.; Kim, Y. B.

    2008-12-01

    Main objective of this project is to maintain chemical hot cell facility and essential chemical analysis instruments of Nuclear Chemistry Research Division(NCRD) in KAERI and is to support other nuclear R and D groups and nuclear industries providing precise data from the samples and specimens with these facility and instruments. The main items of chemical analysis were the determination of burn-up and fission gas of PWR high burn up UO 2 fuels and hydrogen in cladding material. Other Chemical analyses (element analysis by using ICP-AES, AA and EPMA; radio nuclide analysis by αβγ-spectrometer; isotope analysis by TI-MS, ICP-MS and Quadrupole MS; surface analysis by XRD, SEM; H,C,O analysis etc.) were carried out through this project from January 1st to December 31th of 2007 for the 7,263 cases from the nuclear R and D projects, from the facilities of nuclear fuel cycle examination and from the domestic nuclear industries such as nuclear power plants(KEPCO), fuel producing company(KNFC). Experiments related to the development of chemical analysis methods, A gas chromatography analysis method was established for a slightly negative pressure fission gas sample and thus the results were compared to and reviewed with those obtained by quadrupole mass spectrometer which already had been developed for the routine gas analysis support of the same sample. With using a packed molecular column and optimum temperature condition of oven, the fission gas compositions, nitrogen, krypton and xenon, could be separated clearly within 7 minute. According to the analysis results for the same fission gas samples, gas chromatograph and quadrupole mass spectrometer, the krypton analysis results of fission gases by the former was 2.65 % higher than those by the later. However analysis results of xenon by both methods were agreed well within 1 decimal point.Simultaneous multi-sample treatment system was developed to promote efficiency of chemical analysis methods and the burnup

  2. Including chemical-related impact categories in LCA on printed matter does it matter?

    DEFF Research Database (Denmark)

    Larsen, Henrik Fred; Hansen, Morten Søes; Hauschild, Michael Zwicky

    2004-01-01

    special focus is on the production stage but upstream emissions assessed to be of possible significant importance are included (e.g. estimated emissions from pigment production) or handled in the sensitivity analysis. The functional unit is 1 ton of sheet feed offset produced printed matter, i.e. printed......Introduction Existing product Life Cycle Assessments (LCA¡¦s) on offset printed matter all point at paper as the overall dominating contributor to the impacts from the life-cycle of this category of products. This dominating role of paper is primarily founded in the energy-related impact categories...... include these chemical-related impact categories by making use of some of the newest knowledge about emissions from the production at the printing industry combined with knowledge about the composition of the printing materials used during the production of offset printed matter. This paper is based...

  3. Service activities of chemical analysis division

    International Nuclear Information System (INIS)

    Eom, Tae Yoon; Suh, Moo Yul; Park, Kyoung Kyun; Jung, Ki Suk; Joe, Kih Soo; Jee, Kwang Yong; Jung, Woo Sik; Sohn, Se Chul; Yeo, In Heong; Han, Sun Ho

    1988-12-01

    Progress of the Division during the year of 1988 was described on the service activities for various R and D projects carrying out in the Institute, for the fuel fabrication and conversion plant, and for the post-irradiation examination facility. Relevant analytical methodologies developed for the chemical analysis of an irradiated fuel, safeguards chemical analysis, and pool water monitoring were included such as chromatographic separation of lanthanides, polarographic determination of dissolved oxygen in water, and automation on potentiometric titration of uranium. Some of the laboratory manuals revised were also included in this progress report. (Author)

  4. Rapid chemical analysis of allanite

    International Nuclear Information System (INIS)

    Nishiyama, Goro; Hayashi, Hiroshi

    1981-01-01

    Rapid chemical analysis of allanite was studied by atomic absorption spectrophotometry. Powdered sample was fused with mixture of sodium carbonate anhydrous and borax (4 : 1 weight) in platinum crucible and sample solution was prepared. SiO 2 , Fe 2 O 3 , Al 2 O 3 , MnO and rare earth metals were determined by atomic absorption spectrophotometry, CaO, MgO and Ce 2 O 3 by titration, ThO 2 by colorimetry, and La 2 O 3 by flame photometry respectively. For sample solution treated with hydrofluoric acid and sulfuric acid. Na 2 O and K 2 O were determined by atomic absorption spectrophotometry, TiO 2 and P 2 O 5 by colorimetry. Chemical analyses for four samples were carried out and gave consistent results. (author)

  5. About the names of the chemical elements, including the transfermium elements

    OpenAIRE

    Rocha-Filho, Romeu C.; Chagas, Aécio Pereira

    1999-01-01

    The names of the chemical elements in Brazilian portuguese are presented, including a discussion of corresponding Brazilian nomenclature rules and translation of some parts of the pertinent IUPAC rules. The rules for naming groups of elements in the periodic table, as well as those for the symbolic indication of atomic number, mass number and electric charge of atoms, are also presented.

  6. Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

    International Nuclear Information System (INIS)

    Kinnison, D.E.; Wuebbles, D.J.

    1992-01-01

    Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O 3 , NO x , Cl x , HCl, N 2 O 5 , ClONO 2 are calculated

  7. Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

    Science.gov (United States)

    Kinnison, Douglas E.; Wuebbles, Donald J.

    1994-01-01

    Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O3, NO(x), Cl(x), HCl, N2O5, ClONO2 are calculated.

  8. Calibrating Detailed Chemical Analysis of M dwarfs

    Science.gov (United States)

    Veyette, Mark; Muirhead, Philip Steven; Mann, Andrew; Brewer, John; Allard, France; Homeier, Derek

    2018-01-01

    The ability to perform detailed chemical analysis of Sun-like F-, G-, and K-type stars is a powerful tool with many applications including studying the chemical evolution of the Galaxy, assessing membership in stellar kinematic groups, and constraining planet formation theories. Unfortunately, complications in modeling cooler stellar atmospheres has hindered similar analysis of M-dwarf stars. Large surveys of FGK abundances play an important role in developing methods to measure the compositions of M dwarfs by providing benchmark FGK stars that have widely-separated M dwarf companions. These systems allow us to empirically calibrate metallicity-sensitive features in M dwarf spectra. However, current methods to measure metallicity in M dwarfs from moderate-resolution spectra are limited to measuring overall metallicity and largely rely on astrophysical abundance correlations in stellar populations. In this talk, I will discuss how large, homogeneous catalogs of precise FGK abundances are crucial to advancing chemical analysis of M dwarfs beyond overall metallicity to direct measurements of individual elemental abundances. I will present a new method to analyze high-resolution, NIR spectra of M dwarfs that employs an empirical calibration of synthetic M dwarf spectra to infer effective temperature, Fe abundance, and Ti abundance. This work is a step toward detailed chemical analysis of M dwarfs at a similar precision achieved for FGK stars.

  9. Why include phenomenological analysis in a Research Methods course?

    Science.gov (United States)

    Delgado, Ana R

    2013-01-01

    Guidelines for Spanish university curricula include the descriptor Quantitative and Qualitative Methods, but the latter are still poorly represented. To inform the argument for phenomenological methods, the last 20-year interval of ISI databases has been content-analyzed with the following codes: discourse analysis, grounded theory, narrative analysis, phenomenological analysis and confirmatory factor analysis, that is, four qualitative methods and a prototypical quantitative one. In absolute terms, the most frequent qualitative method is grounded theory, followed by discourse analysis, phenomenological analysis and narrative analysis. However, taking into account content categories, only phenomenological analysis shows a clear psychological profile, similar to confirmatory factor analysis. We recommend starting qualitative training with a method that does not require either big groups, or big funding, and that has a procedural core that is simple, relatively well-delimited and "secularizable," a variety of thematic analysis. Historical reasons and the clear psychological profile evidenced by our results enhance our argument to foster the inclusion of phenomenological analysis in research method courses in psychology.

  10. Economics of resynchronization strategies including chemical tests to identify nonpregnant cows.

    Science.gov (United States)

    Giordano, J O; Fricke, P M; Cabrera, V E

    2013-02-01

    Our objectives were to assess (1) the economic value of decreasing the interval between timed artificial insemination (TAI) services when using a pregnancy test that allows earlier identification of nonpregnant cows; and (2) the effect of pregnancy loss and inaccuracy of a chemical test (CT) on the economic value of a pregnancy test for dairy farms. Simulation experiments were performed using a spreadsheet-based decision support tool. In experiment 1, we assessed the effect of changing the interbreeding interval (IBI) for cows receiving TAI on the value of reproductive programs by simulating a 1,000-cow dairy herd using a combination of detection of estrus (30 to 80% of cows detected in estrus) and TAI. The IBI was incremented by 7d from 28 to 56 d to reflect intervals either observed (35 to 56 d) or potentially observed (28 d) in dairy operations. In experiment 2, we evaluated the effect of accuracy of the CT and additional pregnancy loss due to earlier testing on the value of reproductive programs. The first scenario compared the use of a CT 31 ± 3 d after a previous AI with rectal palpation (RP) 39 ± 3 d after AI. The second scenario used a CT 24 ± 3 d after AI or transrectal ultrasound (TU) 32 d after AI. Parameters evaluated included sensitivity (Se), specificity (Sp), questionable diagnosis (Qd), cost of the CT, and expected pregnancy loss. Sensitivity analysis was performed for all possible combinations of parameter values to determine their relative importance on the value of the CT. In experiment 1, programs with a shorter IBI had greater economic net returns at all levels of detection of estrus, and use of chemical tests available on the market today might be beneficial compared with RP. In experiment 2, the economic value of programs using a CT could be either greater or less than that of RP and TU, depending on the value for each of the parameters related to the CT evaluated. The value of the program using the CT was affected (in order) by (1) Se, (2

  11. Chemical countermeasures: Dispersants overview of dispersant use (including application) and research issues

    International Nuclear Information System (INIS)

    Butler, J.N.

    1992-01-01

    I will attempt in twenty minutes to summarize the state of research on oil spill dispersants as I perceive it. The expertise I bring to this task includes 20 years of experience with the fate and effects of petroleum in the marine environment, including participation in the 1973 and 1981 NRC studies and three years as chairman of the NRC committee on oil spill dispersants. I More recently I served on a committee of the International Maritime Organization which reviewed the open-quotes Impact of oil and related chemicals and wastes on the marine environment.close quotes That report will be published this year. However, my statements in this paper are not made as a representative of either NRC or IMO. They are my own interpretation of scientific literature cited in the above reviews. Dispersants are chemical formulations, which include surface active agents, designed to decrease the interfacial tension between oil and water. Because the first attempts to disperse oil on a large scale, at the Torrey Canyon spill of 1967, used highly toxic degreasing agents, dispersants have an undeserved reputation for toxicity. In fact, for twenty years dispersant formulations have been developed with an emphasis on reducing their toxicity to marine life. The dispersal of oil in water has been documented in the laboratory by dozens of papers (see references in NRC 1989, pp 70-79), and in the field by dozens of studies (NRC 1989, pp 165- 193). The toxicity of commercial dispersant formulations (NRC 1989, pp 81-123) and dispersed oil (NRC 1989, pp 123-147) has been tested on a wide variety of marine organisms ranging from algae to salmonid fishes. The NRC review has been updated by the IMO/GESAMP (1992) study, but the conclusions remain unchanged

  12. Molecular activation analysis for chemical speciation studies

    International Nuclear Information System (INIS)

    Chai-Chifang

    1998-01-01

    The term of Molecular Activation Analysis (MAA) refers to an activation analysis method that is able to provide information about the chemical species of elements in system of interests, though its definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the total concentrations are often without any meaning when assessing health or environmental risks of trace elements.In practice, the MAA is a combination of conventional instrumental or radiochemical activation analysis and physical, chemical or biochemical separation techniques. The MAA is able to play a particular role in speciation studies. However, the critical point in the MAA is that it is not permitted to change the primitive chemical species of elements in systems, or the change has to be under control; in the meantime it is not allowed to form the 'new artifact' originally not present in systems. Some practical examples of MAA for chemical species research performed recently in our laboratory will be presented as follows: Chemical species of platinum group elements in sediment; Chemical species of iodine in marine algae; Chemical species of mercury in human tissues; Chemical species of selenium in corn; Chemical species of rare earth elements in natural plant, etc. The merits and limitations of MAA will be described as well. (author)

  13. Stochastic flux analysis of chemical reaction networks.

    Science.gov (United States)

    Kahramanoğulları, Ozan; Lynch, James F

    2013-12-07

    Chemical reaction networks provide an abstraction scheme for a broad range of models in biology and ecology. The two common means for simulating these networks are the deterministic and the stochastic approaches. The traditional deterministic approach, based on differential equations, enjoys a rich set of analysis techniques, including a treatment of reaction fluxes. However, the discrete stochastic simulations, which provide advantages in some cases, lack a quantitative treatment of network fluxes. We describe a method for flux analysis of chemical reaction networks, where flux is given by the flow of species between reactions in stochastic simulations of the network. Extending discrete event simulation algorithms, our method constructs several data structures, and thereby reveals a variety of statistics about resource creation and consumption during the simulation. We use these structures to quantify the causal interdependence and relative importance of the reactions at arbitrary time intervals with respect to the network fluxes. This allows us to construct reduced networks that have the same flux-behavior, and compare these networks, also with respect to their time series. We demonstrate our approach on an extended example based on a published ODE model of the same network, that is, Rho GTP-binding proteins, and on other models from biology and ecology. We provide a fully stochastic treatment of flux analysis. As in deterministic analysis, our method delivers the network behavior in terms of species transformations. Moreover, our stochastic analysis can be applied, not only at steady state, but at arbitrary time intervals, and used to identify the flow of specific species between specific reactions. Our cases study of Rho GTP-binding proteins reveals the role played by the cyclic reverse fluxes in tuning the behavior of this network.

  14. Chemical analysis of the Fornax Dwarf galaxy

    NARCIS (Netherlands)

    Letarte, Bruno

    2007-01-01

    This thesis is entitled “Chemical Analysis of the Fornax Dwarf Galaxy”, and it’s main goal is to determine what are the chemical elements present in the stars of this galaxy in order to try and understand it’s evolution. Galaxies are not “static” objects, they move, form stars and can interact with

  15. Optical MEMS for chemical analysis and biomedicine

    CERN Document Server

    Jiang, Hongrui

    2016-01-01

    This book describes the current state of optical MEMS in chemical and biomedical analysis and brings together current trends and highlights topics representing the most exciting progress in recent years in the field.

  16. Chemical analysis of water in hydrogeology

    International Nuclear Information System (INIS)

    Flakova, R.; Zenisova, Z.; Seman, M.

    2010-01-01

    The aim of the monograph is to give complete information on the chemical analysis of water hydrogeology not only for the students program of Geology study (Bachelor degree study), Engineering Geology and Hydrogeology (Master's degree study) and Engineering Geology (doctoral level study), but also for students from other colleges and universities schools in Slovakia, as well as in the Czech Republic, dealing with the chemical composition of water and its quality, from different perspectives. The benefit would be for professionals with hydrogeological, water and environmental practices, who can find there all the necessary information about proper water sampling, the units used in the chemical analysis of water, expressing the proper chemical composition of water in its various parameters through classification of chemical composition of the water up to the basic features of physical chemistry at thermodynamic calculations and hydrogeochemical modelling.

  17. Chemical methods of rock analysis

    National Research Council Canada - National Science Library

    Jeffery, P. G; Hutchison, D

    1981-01-01

    .... Such methods include those based upon spectrophotometry, flame emission spectrometry and atomic absorption spectroscopy, as well as gravimetry, titrimetry and the use of ion-selective electrodes...

  18. Two-dimensional analysis of motion artifacts, including flow effects

    International Nuclear Information System (INIS)

    Litt, A.M.; Brody, A.S.; Spangler, R.A.; Scott, P.D.

    1990-01-01

    The effects of motion on magnetic resonance images have been theoretically analyzed for the case of a point-like object in simple harmonic motion and for other one-dimensional trajectories. The authors of this paper extend this analysis to a generalized two-dimensional magnetization with an arbitrary motion trajectory. The authors provide specific solutions for the clinically relevant cases of the cross-sections of cylindrical objects in the body, such as the aorta, which has a roughly one-dimensional, simple harmonic motion during respiration. By extending the solution to include inhomogeneous magnetizations, the authors present a model which allows the effects of motion artifacts and flow artifacts to be analyzed simultaneously

  19. Chemical methods of rock analysis

    National Research Council Canada - National Science Library

    Jeffery, P. G; Hutchison, D

    1981-01-01

    A practical guide to the methods in general use for the complete analysis of silicate rock material and for the determination of all those elements present in major, minor or trace amounts in silicate...

  20. Spectroscopic Chemical Analysis Methods and Apparatus

    Science.gov (United States)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor); Lane, Arthur L. (Inventor)

    2017-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

  1. Evolution of the continental upper mantle : numerical modelling of thermo-chemical convection including partial melting

    NARCIS (Netherlands)

    de Smet, J.H.

    1999-01-01

    This thesis elaborates on the evolution of the continental upper mantle based on numerical modelling results. The descriptive and explanatory basis is formed by a numerical thermo-chemical convection model. The model evolution starts in the early Archaean about 4 billion years ago. The model follows

  2. Evolution of the continental upper mantle : numerical modelling of thermo-chemical convection including partial melting

    NARCIS (Netherlands)

    Smet, J.H. de

    1999-01-01

    This thesis elaborates on the evolution of the continental upper mantle based on numerical modelling results. The descriptive and explanatory basis is formed by a numerical thermo-chemical convection model. The model evolution starts in the early Archaean about 4 billion years ago. The model

  3. Plasma-chemical technology of treatment of halogen-containing waste including polychlorinated biphenyls

    Science.gov (United States)

    Gusarov, E. E.; Malkov, Yu. P.; Stepanov, S. G.; Troshchinenko, G. A.; Zasypkin, I. M.

    2010-12-01

    We consider the developed plasma-chemical technology of halogen-containing substances treatment. The paper contains the experimental plant schematic and the positive results obtained after the treatment of tetrafluoromethane, ozone-damaging freon 12, polychlorinated biphenyls (PCB), the waste containing fluoride and chloride organics. The technology is proposed for industrial application.

  4. The role of chemical engineering in medicinal research including Alzheimer’s

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios M.

    2015-01-01

    as significantly to the life sciences development as it has been done with the oil and gas and chemical sectors in the twentieth century. Moreover, it has during the recent years recognized that thermodynamics can help in understanding diseases like human cataract, sickle-cell anemia, Creuzfeldt- Jacob (“mad cow...

  5. Chemical analysis of high purity graphite

    International Nuclear Information System (INIS)

    1993-03-01

    The Sub-Committee on Chemical Analysis of Graphite was organized in April 1989, under the Committee on Chemical Analysis of Nuclear Fuels and Reactor Materials, JAERI. The Sub-Committee carried out collaborative analyses among eleven participating laboratories for the certification of the Certified Reference Materials (CRMs), JAERI-G5 and G6, after developing and evaluating analytical methods during the period of September 1989 to March 1992. The certified values were given for ash, boron and silicon in the CRM based on the collaborative analysis. The values for ten elements (Al, Ca, Cr, Fe, Mg, Mo, Ni, Sr, Ti, V) were not certified, but given for information. Preparation, homogeneity testing and chemical analyses for certification of reference materials were described in this paper. (author) 52 refs

  6. Molecular activation analysis for chemical species studies

    International Nuclear Information System (INIS)

    Chai Zhifang; Mao Xueying; Wang Yuqi; Sun Jingxin; Qian Qingfang; Hou Xiaolin; Zhang Peiqun; Chen Chunying; Feng Weiyu; Ding Wenjun; Li Xiaolin; Li Chunsheng; Dai Xiongxin

    2001-01-01

    The Molecular Activation Analysis (MAA) mainly refers to an activation analysis method that is able to provide information about the chemical species of elements in systems of interest, though its exact definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the bulk contents or concentrations are often insignificant for judging biological, environmental or geochemical effects of elements. In this paper, the features, methodology and limitation of MAA were outlined. Further, the up-to-date MAA progress made in our laboratory was introduced as well. (author)

  7. Line outage contingency analysis including the system islanding ...

    African Journals Online (AJOL)

    The optimally ordered sparse [Bʹ], [Bʺ] matrices for the integrated system are used for load flow analysis to determine modified values of voltage phase angles [d] and bus voltages [V] to determine the over loading effect on the remaining lines due to outage of a selected line outage contingency. In case of over loading in ...

  8. SHORT COMMUNICATION CHEMICAL ANALYSIS OF THE ...

    African Journals Online (AJOL)

    CHEMICAL ANALYSIS OF THE ASSALE (ETHIOPIA) ROCK SALT DEPOSIT. Yigzaw Binega. Ministry of Mines ... GEOLOGY OF THE ROCK-SALT DEPOSIT AREA. The Danakil Depression is a ... meters thick salt rafts that exhibit prismatic polygonal fabric are commonly observed (Figure 2). [3]. EXPERIMENTAL. The rock ...

  9. A vastly increased chemical variety of RNA modifications that includes a thioacetal structure.

    Science.gov (United States)

    Dal Magro, Christina; Keller, Patrick; Kotter, Annika; Werner, Stephan; Duarte, Victor; Marchand, Virginie; Ignarski, Michael; Freiwald, Anja; Müller, Roman-Ulrich; Dieterich, Christoph; Motorin, Yuri; Butter, Falk; Atta, Mohammed; Helm, Mark

    2018-04-06

    Recently discovered new chemical entities in RNA modifications have provided surprises with respect to functional groups that enlarge the chemical space of RNA. Using LC-MS, we found over one hundred signals of RNA constituents that contained a ribose moiety in tRNAs from E. coli. Feeding experiments with variegated stable isotope labeled compounds identified 37 compounds, representing new structures of RNA modifications. One structure was elucidated by deuterium exchange and high resolution mass spectrometry. The structure of msms2i6A (2-methylthiomethylenethio-N6-isopentenyl-adenosine) was confirmed by methione-D3 feeding experiments and finally by synthesis of the nucleobase. The msms2i6A contains a thioacetal, which we demonstrated in vitro to be biosynthetically derived from ms2i6A by the action of the radical-SAM enzyme MiaB. This enzyme performs thiomethylation, forming ms2i6A from i6A in a first turnover. The newly discovered thioacetal is formed by a second turnover, now involving hydrogen abstraction from the previously introduced methyl group. Not only are thioacetals extremely rare in natural product chemistry, but also does this constitute a novel enzymatic mechanism for their formation. In conjunction with the pool of 36 new modification, this work describes a new layer of RNA modification chemistry. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Tools for voltage stability analysis, including a probabilistic approach

    Energy Technology Data Exchange (ETDEWEB)

    Vieira Filho, X.; Martins, N.; Bianco, A.; Pinto, H.J.C.P. [Centro de Pesquisas de Energia Eletrica (CEPEL), Rio de Janeiro, RJ (Brazil); Pereira, M.V.F. [Power System Research (PSR), Inc., Rio de Janeiro, RJ (Brazil); Gomes, P.; Santos, M.G. dos [ELETROBRAS, Rio de Janeiro, RJ (Brazil)

    1994-12-31

    This paper reviews some voltage stability analysis tools that are being used or envisioned for expansion and operational planning studies in the Brazilian system, as well as, their applications. The paper also shows that deterministic tools can be linked together in a probabilistic framework, so as to provide complementary help to the analyst in choosing the most adequate operation strategies, or the best planning solutions for a given system. (author) 43 refs., 8 figs., 8 tabs.

  11. Corpus analysis and automatic detection of emotion-including keywords

    Science.gov (United States)

    Yuan, Bo; He, Xiangqing; Liu, Ying

    2013-12-01

    Emotion words play a vital role in many sentiment analysis tasks. Previous research uses sentiment dictionary to detect the subjectivity or polarity of words. In this paper, we dive into Emotion-Inducing Keywords (EIK), which refers to the words in use that convey emotion. We first analyze an emotion corpus to explore the pragmatic aspects of EIK. Then we design an effective framework for automatically detecting EIK in sentences by utilizing linguistic features and context information. Our system outperforms traditional dictionary-based methods dramatically in increasing Precision, Recall and F1-score.

  12. Line outage contingency analysis including the system islanding scenario

    Energy Technology Data Exchange (ETDEWEB)

    Hazarika, D.; Bhuyan, S. [Assam Engineering College, Jalukbari, Guwahati 781013 (India); Chowdhury, S.P. [Jadavpur University, Jadavpur, Kolkata 700 032 (India)

    2006-05-15

    The paper describes an algorithm for determining the line outage contingency of a line taking into account of line over load effect in remaining lines and subsequent tripping of over loaded line(s) leading to possible system split or islanding of a power system. The optimally ordered sparse [B'], [B'] matrices for the integrated system are used for load flow analysis to determine modified values of voltage phase angles [{delta}] and bus voltages [V] to determine the over loading effect on the remaining lines due to outage of a selected line outage contingency. In case of over loading in remaining line(s), the over loaded lines are removed from the system and a topology processor is used to find the islands. A fast decoupled load flow (FDLF) analysis is carried out for finding out the system variables for the islanded (or single island) system by incorporating appropriate modification in the [B'] and [B'] matrices of the integrated system. Line outage indices based on line overload, loss of load, loss of generation and static voltage stability are computed to indicate severity of a line outage of a selected line. (author)

  13. Probabilistic risk analysis in chemical engineering

    International Nuclear Information System (INIS)

    Schmalz, F.

    1991-01-01

    In risk analysis in the chemical industry, recognising potential risks is considered more important than assessing their quantitative extent. Even in assessing risks, emphasis is not on the probability involved but on the possible extent. Qualitative assessment has proved valuable here. Probabilistic methods are used in individual cases where the wide implications make it essential to be able to assess the reliability of safety precautions. In this case, assessment therefore centres on the reliability of technical systems and not on the extent of a chemical risk. 7 figs

  14. Microfabricated Gas Phase Chemical Analysis Systems

    Energy Technology Data Exchange (ETDEWEB)

    FRYE-MASON,GREGORY CHARLES; HELLER,EDWIN J.; HIETALA,VINCENT M.; KOTTENSTETTE,RICHARD; LEWIS,PATRICK R.; MANGINELL,RONALD P.; MATZKE,CAROLYN M.; WONG,CHUNGNIN C.

    1999-09-16

    A portable, autonomous, hand-held chemical laboratory ({micro}ChemLab{trademark}) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described.

  15. Dynamic Analysis of Wind Turbines Including Soil-Structure Interaction

    DEFF Research Database (Denmark)

    Harte, M.; Basu, B.; Nielsen, Søren R.K.

    2012-01-01

    blades and includes the effect of centrifugal stiffening due to rotation. The foundation of the structure is modeled as a rigid gravity based foundation with two DOF whose movement is related to the surrounding soil by means of complex impedance functions generated using cone model. Transfer functions...... for displacement of the turbine system are obtained and the modal frequencies of the combined turbine-foundation system are estimated. Simulations are presented for the MDOF turbine structure subjected to wind loading for different soil stiffness conditions. Steady state and turbulent wind loading, developed using...... blade element momentum theory and the Kaimal spectrum, have been considered. Soil stiffness and damping properties acquired from DNV/Risø standards are used as a comparison. The soil-structure interaction is shown to affect the response of the wind turbine. This is examined in terms of the turbine...

  16. IGSA: Individual Gene Sets Analysis, including Enrichment and Clustering.

    Science.gov (United States)

    Wu, Lingxiang; Chen, Xiujie; Zhang, Denan; Zhang, Wubing; Liu, Lei; Ma, Hongzhe; Yang, Jingbo; Xie, Hongbo; Liu, Bo; Jin, Qing

    2016-01-01

    Analysis of gene sets has been widely applied in various high-throughput biological studies. One weakness in the traditional methods is that they neglect the heterogeneity of genes expressions in samples which may lead to the omission of some specific and important gene sets. It is also difficult for them to reflect the severities of disease and provide expression profiles of gene sets for individuals. We developed an application software called IGSA that leverages a powerful analytical capacity in gene sets enrichment and samples clustering. IGSA calculates gene sets expression scores for each sample and takes an accumulating clustering strategy to let the samples gather into the set according to the progress of disease from mild to severe. We focus on gastric, pancreatic and ovarian cancer data sets for the performance of IGSA. We also compared the results of IGSA in KEGG pathways enrichment with David, GSEA, SPIA, ssGSEA and analyzed the results of IGSA clustering and different similarity measurement methods. Notably, IGSA is proved to be more sensitive and specific in finding significant pathways, and can indicate related changes in pathways with the severity of disease. In addition, IGSA provides with significant gene sets profile for each sample.

  17. Unifying Approach to Analytical Chemistry and Chemical Analysis: Problem-Oriented Role of Chemical Analysis.

    Science.gov (United States)

    Pardue, Harry L.; Woo, Jannie

    1984-01-01

    Proposes an approach to teaching analytical chemistry and chemical analysis in which a problem to be resolved is the focus of a course. Indicates that this problem-oriented approach is intended to complement detailed discussions of fundamental and applied aspects of chemical determinations and not replace such discussions. (JN)

  18. A class of chemical pinning centers including two elements foreign to HTS

    Energy Technology Data Exchange (ETDEWEB)

    Weinstein, Roy; Sawh, Ravi-Persad

    2003-01-01

    Very small deposits are formed when two foreign elements, A and B, are added to textured (RE)BCO. These deposits increase the J{sub c} of samples and hence the maximum trapped field. Deposit sizes are generally in the range 200-400 nm. Their chemical composition is (A{sub x},B{sub y})(RE)Ba{sub 2}O{sub 6}, where x+y=1 and x=y{+-}0.1. Their structure is double perovskite. The deposits produce two types of pinning, one by refinement (e.g., of the Y211 phase) and the other due to the double perovskite deposits themselves. In those cases tested, the refinement increases J{sub c} by factors exceeding 1.33, and the deposits increase J{sub c} by factors exceeding 2, for a total increase by a factor exceeding 2.66. Element A can be U, W or Mo. Element B can be Pt or Zr. We speculate on possible additional elements in classes A and B.

  19. Shunted Piezoelectric Vibration Damping Analysis Including Centrifugal Loading Effects

    Science.gov (United States)

    Min, James B.; Duffy, Kirsten P.; Provenza, Andrew J.

    2011-01-01

    Excessive vibration of turbomachinery blades causes high cycle fatigue problems which require damping treatments to mitigate vibration levels. One method is the use of piezoelectric materials as passive or active dampers. Based on the technical challenges and requirements learned from previous turbomachinery rotor blades research, an effort has been made to investigate the effectiveness of a shunted piezoelectric for the turbomachinery rotor blades vibration control, specifically for a condition with centrifugal rotation. While ample research has been performed on the use of a piezoelectric material with electric circuits to attempt to control the structural vibration damping, very little study has been done regarding rotational effects. The present study attempts to fill this void. Specifically, the objectives of this study are: (a) to create and analyze finite element models for harmonic forced response vibration analysis coupled with shunted piezoelectric circuits for engine blade operational conditions, (b) to validate the experimental test approaches with numerical results and vice versa, and (c) to establish a numerical modeling capability for vibration control using shunted piezoelectric circuits under rotation. Study has focused on a resonant damping control using shunted piezoelectric patches on plate specimens. Tests and analyses were performed for both non-spinning and spinning conditions. The finite element (FE) shunted piezoelectric circuit damping simulations were performed using the ANSYS Multiphysics code for the resistive and inductive circuit piezoelectric simulations of both conditions. The FE results showed a good correlation with experimental test results. Tests and analyses of shunted piezoelectric damping control, demonstrating with plate specimens, show a great potential to reduce blade vibrations under centrifugal loading.

  20. Chemical analysis of refractories by plasma spectrometry

    International Nuclear Information System (INIS)

    Coutinho, C.A.

    1990-01-01

    X-ray spectrometry has been, since the last two or three decades, the traditional procedure for the chemical analysis of refractories, due to its high degree of accuracy and speed to produce analytical results. An interesting alternative to X-ray fluorescence is provided by the Inductively Coupled Plasma Spectrometry technique, for those laboratories where wet chemistry facilities are already available or process control is not required at high speed, or investiment costs have to be low. This paper presents results obtained by plasma spectroscopy for the analysis of silico - aluminous refractories, showing calibration curves, precion and detection limits. Considerations and comparisons with X-ray fluorescence are also made. (author) [pt

  1. Quantum Chemical Strain Analysis For Mechanochemical Processes.

    Science.gov (United States)

    Stauch, Tim; Dreuw, Andreas

    2017-04-18

    The use of mechanical force to initiate a chemical reaction is an efficient alternative to the conventional sources of activation energy, i.e., heat, light, and electricity. Applications of mechanochemistry in academic and industrial laboratories are diverse, ranging from chemical syntheses in ball mills and ultrasound baths to direct activation of covalent bonds using an atomic force microscope. The vectorial nature of force is advantageous because specific covalent bonds can be preconditioned for rupture by selective stretching. However, the influence of mechanical force on single molecules is still not understood at a fundamental level, which limits the applicability of mechanochemistry. As a result, many chemists still resort to rules of thumb when it comes to conducting mechanochemical syntheses. In this Account, we show that comprehension of mechanochemistry at the molecular level can be tremendously advanced by quantum chemistry, in particular by using quantum chemical force analysis tools. One such tool is the JEDI (Judgement of Energy DIstribution) analysis, which provides a convenient approach to analyze the distribution of strain energy in a mechanically deformed molecule. Based on the harmonic approximation, the strain energy contribution is calculated for each bond length, bond angle and dihedral angle, thus providing a comprehensive picture of how force affects molecules. This Account examines the theoretical foundations of quantum chemical force analysis and provides a critical overview of the performance of the JEDI analysis in various mechanochemical applications. We explain in detail how this analysis tool is to be used to identify the "force-bearing scaffold" of a distorted molecule, which allows both the rationalization and the optimization of diverse mechanochemical processes. More precisely, we show that the inclusion of every bond, bending and torsion of a molecule allows a particularly insightful discussion of the distribution of mechanical

  2. LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

    Science.gov (United States)

    Bittker, D. A.

    1994-01-01

    which provides the relationships between the predictions of a kinetics model and the input parameters of the problem. LSENS provides for efficient and accurate chemical kinetics computations and includes sensitivity analysis for a variety of problems, including nonisothermal conditions. LSENS replaces the previous NASA general chemical kinetics codes GCKP and GCKP84. LSENS is designed for flexibility, convenience and computational efficiency. A variety of chemical reaction models can be considered. The models include static system, steady one-dimensional inviscid flow, reaction behind an incident shock wave including boundary layer correction, and the perfectly stirred (highly backmixed) reactor. In addition, computations of equilibrium properties can be performed for the following assigned states, enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static problems LSENS computes sensitivity coefficients with respect to the initial values of the dependent variables and/or the three rates coefficient parameters of each chemical reaction. To integrate the ODEs describing chemical kinetics problems, LSENS uses the packaged code LSODE, the Livermore Solver for Ordinary Differential Equations, because it has been shown to be the most efficient and accurate code for solving such problems. The sensitivity analysis computations use the decoupled direct method, as implemented by Dunker and modified by Radhakrishnan. This method has shown greater efficiency and stability with equal or better accuracy than other methods of sensitivity analysis. LSENS is written in FORTRAN 77 with the exception of the NAMELIST extensions used for input. While this makes the code fairly machine independent, execution times on IBM PC compatibles would be unacceptable to most users. LSENS has been successfully implemented on a Sun4 running SunOS and a DEC VAX running VMS. With minor modifications, it should also be easily implemented on other

  3. Identification of IAA transport inhibitors including compounds affecting cellular PIN trafficking by two chemical screening approaches using maize coleoptile systems.

    Science.gov (United States)

    Nishimura, Takeshi; Matano, Naoyuki; Morishima, Taichi; Kakinuma, Chieko; Hayashi, Ken-Ichiro; Komano, Teruya; Kubo, Minoru; Hasebe, Mitsuyasu; Kasahara, Hiroyuki; Kamiya, Yuji; Koshiba, Tomokazu

    2012-10-01

    The monocot coleoptile tip region has been generally supposed to be the source of IAA to supply IAA to basal parts by the polar IAA transport system, which results in gravi- and phototropic curvature of coleoptiles. Based on this IAA transport system and gravitropism of maize coleoptiles, we have developed two screening methods to identify small molecules from a large chemical library that inhibit IAA transport. The methods detect molecules that affect (i) gravitropic curvature of coleoptiles; and (ii) the amount of IAA transported from the tip. From 10,000 chemicals, eight compounds were identified and categorized into two groups. Four chemicals in group A decreased IAA transport from the tip, and increased endogenous IAA levels in the tip. The structures of two compounds resembled that of 1-N-naphthylphthalamic acid (NPA), but those of the other two differed from structures of known IAA transport inhibitors. Four chemicals in group B strongly inhibited IAA transport from the tip, but IAA levels at the tip were only slightly affected. At higher concentrations, group B compounds inhibited germination of Arabidopsis, similarly to brefeldin A (BFA). Analysis of the cellular distribution of PIN2-green fluorescent protein (GFP) and PIN1-GFP in Arabidopsis revealed that one of the four chemicals in group B induced internalization of PIN1 and PIN2 proteins into vesicles smaller than BFA bodies, suggesting that this compound affects cellular vesicle trafficking systems related to PIN trafficking. The eight chemicals identified here will be a useful tool for understanding the mechanisms of IAA transport in plants.

  4. Activation and chemical analysis of drinking waters

    International Nuclear Information System (INIS)

    Sharma, H.K.; Mittal, V.K.; Sahota, H.S.

    1989-01-01

    Ground water samples from Patiala city have been analysed for 22 trace elements using neutron activation analysis and for seven chemical parameters using standard techniques. It was found that alkali and alkaline earth metals have high concentrations in all samples whereas the concentrations of toxic metals are low in the majority of samples. However, chromium and cadmium concentrations are higher in ground water taken from the industrial belt of the city. This indicates that the overall level of pollution is low, but that some measures are still needed to inhibit various industries from polluting the ground water. (author)

  5. VALIDATION GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

    Science.gov (United States)

    The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following guidelines for laboratories engaged in the forensic analysis of chemical evidence associated with terrorism. This document provides a baseline framework and guidance for...

  6. Quantifying chemical reactions by using mixing analysis.

    Science.gov (United States)

    Jurado, Anna; Vázquez-Suñé, Enric; Carrera, Jesús; Tubau, Isabel; Pujades, Estanislao

    2015-01-01

    This work is motivated by a sound understanding of the chemical processes that affect the organic pollutants in an urban aquifer. We propose an approach to quantify such processes using mixing calculations. The methodology consists of the following steps: (1) identification of the recharge sources (end-members) and selection of the species (conservative and non-conservative) to be used, (2) identification of the chemical processes and (3) evaluation of mixing ratios including the chemical processes. This methodology has been applied in the Besòs River Delta (NE Barcelona, Spain), where the River Besòs is the main aquifer recharge source. A total number of 51 groundwater samples were collected from July 2007 to May 2010 during four field campaigns. Three river end-members were necessary to explain the temporal variability of the River Besòs: one river end-member is from the wet periods (W1) and two are from dry periods (D1 and D2). This methodology has proved to be useful not only to compute the mixing ratios but also to quantify processes such as calcite and magnesite dissolution, aerobic respiration and denitrification undergone at each observation point. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Chemical considerations in severe accident analysis

    International Nuclear Information System (INIS)

    Malinauskas, A.P.; Kress, T.S.

    1988-01-01

    The Reactor Safety Study presented the first systematic attempt to include fission product physicochemical effects in the determination of expected consequences of hypothetical nuclear reactor power plant accidents. At the time, however, the data base was sparse, and the treatment of fission product behavior was not entirely consistent or accurate. Considerable research has since been performed to identify and understand chemical phenomena that can occur in the course of a nuclear reactor accident, and how these phenomena affect fission product behavior. In this report, the current status of our understanding of the chemistry of fission products in severe core damage accidents is summarized and contrasted with that of the Reactor Safety Study

  8. Device for high spatial resolution chemical analysis of a sample and method of high spatial resolution chemical analysis

    Science.gov (United States)

    Van Berkel, Gary J.

    2015-10-06

    A system and method for analyzing a chemical composition of a specimen are described. The system can include at least one pin; a sampling device configured to contact a liquid with a specimen on the at least one pin to form a testing solution; and a stepper mechanism configured to move the at least one pin and the sampling device relative to one another. The system can also include an analytical instrument for determining a chemical composition of the specimen from the testing solution. In particular, the systems and methods described herein enable chemical analysis of specimens, such as tissue, to be evaluated in a manner that the spatial-resolution is limited by the size of the pins used to obtain tissue samples, not the size of the sampling device used to solubilize the samples coupled to the pins.

  9. Systems analysis of past, present, and future chemical terrorism scenarios.

    Energy Technology Data Exchange (ETDEWEB)

    Hoette, Trisha Marie

    2012-03-01

    Throughout history, as new chemical threats arose, strategies for the defense against chemical attacks have also evolved. As a part of an Early Career Laboratory Directed Research and Development project, a systems analysis of past, present, and future chemical terrorism scenarios was performed to understand how the chemical threats and attack strategies change over time. For the analysis, the difficulty in executing chemical attack was evaluated within a framework of three major scenario elements. First, historical examples of chemical terrorism were examined to determine how the use of chemical threats, versus other weapons, contributed to the successful execution of the attack. Using the same framework, the future of chemical terrorism was assessed with respect to the impact of globalization and new technologies. Finally, the efficacy of the current defenses against contemporary chemical terrorism was considered briefly. The results of this analysis justify the need for continued diligence in chemical defense.

  10. In vitro antibacterial and chemical properties of essential oils including native plants from Brazil against pathogenic and resistant bacteria.

    Science.gov (United States)

    Barbosa, Lidiane Nunes; Probst, Isabella da Silva; Andrade, Bruna Fernanda Murbach Teles; Alves, Fernanda Cristina Bérgamo; Albano, Mariana; da Cunha, Maria de Lourdes Ribeiro de Souza; Doyama, Julio Toshimi; Rall, Vera Lúcia Mores; Fernandes Júnior, Ary

    2015-01-01

    The antimicrobials products from plants have increased in importance due to the therapeutic potential in the treatment of infectious diseases. Therefore, we aimed to examine the chemical characterisation (GC-MS) of essential oils (EO) from seven plants and measure antibacterial activities against bacterial strains isolated from clinical human specimens (methicillin-resistant Staphylococcus aureus (MRSA) and sensitive (MSSA), Escherichia coli, Pseudomonas aeruginosa, Salmonella Typhimurium) and foods (Salmonella Enteritidis). Assays were performed using the minimal inhibitory concentration (MIC and MIC90%) (mg/mL) by agar dilution and time kill curve methods (log CFU/mL) to aiming synergism between EO. EO chemical analysis showed a predominance of terpenes and its derivatives. The highest antibacterial activities were with Cinnamomun zeylanicum (0.25 mg/mL on almost bacteria tested) and Caryophyllus aromaticus EO (2.40 mg/mL on Salmonella Enteritidis), and the lowest activity was with Eugenia uniflora (from 50.80 mg/mL against MSSA to 92.40 mg/mL against both Salmonella sources and P. aeruginosa) EO. The time kill curve assays revealed the occurrence of bactericide synergism in combinations of C. aromaticus and C. zeylanicum with Rosmarinus. officinalis. Thus, the antibacterial activities of the EO were large and this can also be explained by complex chemical composition of the oils tested in this study and the synergistic effect of these EO, yet requires further investigation because these interactions between the various chemical compounds can increase or reduce (antagonism effect) the inhibitory effect of essential oils against bacterial strains.

  11. Chemical Cues which Include Amino Acids Mediate Species-Specific Feeding Behavior in Invasive Filter-Feeding Bigheaded Carps.

    Science.gov (United States)

    Claus, Aaron W; Sorensen, Peter W

    2017-04-01

    This study tested whether and how dissolved chemicals might assist food recognition in two filter-feeding fishes, the silver (Hypophthalmichthys molitrix) and the bighead carp (H. nobilis). These species evolved in Asia, are now invasive in the Mississippi River, and feed voraciously on microparticles including plankton. The food habits and biology of these carps are broadly similar to many filter-feeding fish, none of whose chemical ecology has been examined. We conducted five experiments. First, we demonstrated that buccal-pharngeal pumping (BPP), a behavior in which fish pump water into their buccal cavities, is responsible for sampling food: BPP activity in both silver and bighead carps was low and increased nearly 25-fold after exposure to a filtrate of a planktonic food mixture (P amino acids could explain about half of the activity of food filtrate, other unknown chemical stimuli were also implicated. Finally, occlusion experiments showed the olfactory sense has a very important, but not exclusive, role in bigheaded carp feeding behaviors and this might be exploited in both their control and culture.

  12. Advanced development in chemical analysis of Cordyceps.

    Science.gov (United States)

    Zhao, J; Xie, J; Wang, L Y; Li, S P

    2014-01-01

    Cordyceps sinensis, also called DongChongXiaCao (winter worm summer grass) in Chinese, is a well-known and valued traditional Chinese medicine. In 2006, we wrote a review for discussing the markers and analytical methods in quality control of Cordyceps (J. Pharm. Biomed. Anal. 41 (2006) 1571-1584). Since then this review has been cited by others for more than 60 times, which suggested that scientists have great interest in this special herbal material. Actually, the number of publications related to Cordyceps after 2006 is about 2-fold of that in two decades before 2006 according to the data from Web of Science. Therefore, it is necessary to review and discuss the advanced development in chemical analysis of Cordyceps since then. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. Chemical aspects of nuclear methods of analysis

    International Nuclear Information System (INIS)

    1985-01-01

    This final report includes papers which fall into three general areas: development of practical pre-analysis separation techniques, uranium/thorium separation from other elements for analytical and processing operations, and theory and mechanism of separation techniques. A separate abstract was prepared for each of the 9 papers

  14. Including Bioconcentration Kinetics for the Prioritization and Interpretation of Regulatory Aquatic Toxicity Tests of Highly Hydrophobic Chemicals

    DEFF Research Database (Denmark)

    Kwon, Jung-Hwan; Lee, So-Young; Kang, Hyun-Joong

    2016-01-01

    Worldwide, regulations of chemicals require short-term toxicity data for evaluating hazards and risks of the chemicals. Current data requirements on the registration of chemicals are primarily based on tonnage and do not yet consider properties of chemicals. For example, short-term ecotoxicity data...

  15. Shotgun lipidomic analysis of chemically sulfated sterols compromises analytical sensitivity

    DEFF Research Database (Denmark)

    Casanovas, Albert; Hannibal-Bach, Hans Kristian; Jensen, Ole Nørregaard

    2014-01-01

    Shotgun lipidomics affords comprehensive and quantitative analysis of lipid species in cells and tissues at high-throughput [1 5]. The methodology is based on direct infusion of lipid extracts by electrospray ionization (ESI) combined with tandem mass spectrometry (MS/MS) and/or high resolution F...... low ionization efficiency in ESI [7]. For this reason, chemical derivatization procedures including acetylation [8] or sulfation [9] are commonly implemented to facilitate ionization, detection and quantification of sterols for global lipidome analysis [1-3, 10]....

  16. The collection and field chemical analysis of water samples

    International Nuclear Information System (INIS)

    Korte, N.E.; Ealey, D.T.; Hollenbach, M.H.

    1984-01-01

    A successful water sampling program requires a clear understanding of appropriate measurement and sampling procedures in order to obtain reliable field data and representative samples. It is imperative that the personnel involved have a thorough knowledge of the limitations of the techniques being used. Though this seems self-evident, many sampling and field-chemical-analysis programs are still not properly conducted. Recognizing these problems, the Department of Energy contracted with Bendix Field Engineering Corporation through the Technical Measurements Center to develop and select procedures for water sampling and field chemical analysis at waste sites. The fundamental causese of poor field programs are addressed in this paper, largely through discussion of specific field-measurement techniques and their limitations. Recommendations for improvement, including quality-assurance measures, are also presented

  17. Mechanical and chemical properties of polyvinyl alcohol modified cement mortar with silica fume used as matrix including radioactive waste

    International Nuclear Information System (INIS)

    Dakroury, A. M.

    2007-01-01

    This paper discussed the mechanical and chemical properties of polyvinyl alcohol - modified cement mortar with silica fume to assess the safety for disposal of radioactive waste. The modified cement mortars containing polyvinyl alcohol (PVA) in the presence of 10 % silica fume (SF) .The chemical reaction between polymer and cement - hydrated product were investigated by the Infrared Spectral Technology, Differential Thermal Analysis and X-ray diffraction. The leaching of 137Cs from a waste composite into a surrounding fluid has been studied .The results shown that PVA increases the strength and decreases the porosity. The increase in strength duo to the interaction of PVA with cement , may be forming some new compound that fill the pores or improve the bond between the cement . The pozzolanic reaction of the SF increases the calcium silicate hydrates in the hardening matrix composites. There is distinct change in the refinement of the pore structure in cement composites giving fewer capillary pores and more of the finer gel pores

  18. Methodology for national risk analysis and prioritization of toxic industrial chemicals.

    Science.gov (United States)

    Taxell, Piia; Engström, Kerstin; Tuovila, Juha; Söderström, Martin; Kiljunen, Harri; Vanninen, Paula; Santonen, Tiina

    2013-01-01

    The identification of chemicals that pose the greatest threat to human health from incidental releases is a cornerstone in public health preparedness for chemical threats. The present study developed and applied a methodology for the risk analysis and prioritization of industrial chemicals to identify the most significant chemicals that pose a threat to public health in Finland. The prioritization criteria included acute and chronic health hazards, physicochemical and environmental hazards, national production and use quantities, the physicochemical properties of the substances, and the history of substance-related incidents. The presented methodology enabled a systematic review and prioritization of industrial chemicals for the purpose of national public health preparedness for chemical incidents.

  19. Diverse Cone-Snail Species Harbor Closely Related Streptomyces Species with Conserved Chemical and Genetic Profiles, Including Polycyclic Tetramic Acid Macrolactams

    Directory of Open Access Journals (Sweden)

    Michelle Quezada

    2017-11-01

    Full Text Available Streptomyces are Gram-positive bacteria that occupy diverse ecological niches including host-associations with animals and plants. Members of this genus are known for their overwhelming repertoire of natural products, which has been exploited for almost a century as a source of medicines and agrochemicals. Notwithstanding intense scientific and commercial interest in Streptomyces natural products, surprisingly little is known of the intra- and/or inter-species ecological roles played by these metabolites. In this report we describe the chemical structures, biological properties, and biosynthetic relationships between natural products produced by Streptomyces isolated from internal tissues of predatory Conus snails, collected from the Great Barrier Reef, Australia. Using chromatographic, spectroscopic and bioassays methodology, we demonstrate that Streptomyces isolated from five different Conus species produce identical chemical and antifungal profiles – comprising a suite of polycyclic tetramic acid macrolactams (PTMs. To investigate possible ecological (and evolutionary relationships we used genome analyses to reveal a close taxonomic relationship with other sponge-derived and free-living PTM producing Streptomyces (i.e., Streptomyces albus. In-depth phylogenomic analysis of PTM biosynthetic gene clusters indicated PTM structure diversity was governed by a small repertoire of genetic elements, including discrete gene acquisition events involving dehydrogenases. Overall, our study shows a Streptomyces-Conus ecological relationship that is concomitant with specific PTM chemical profiles. We provide an evolutionary framework to explain this relationship, driven by anti-fungal properties that protect Conus snails from fungal pathogens.

  20. QSAR modeling and chemical space analysis of antimalarial compounds

    Science.gov (United States)

    Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2017-05-01

    Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including 3000 molecules tested in one or several of 17 anti- Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

  1. QSAR modeling and chemical space analysis of antimalarial compounds.

    Science.gov (United States)

    Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2017-05-01

    Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including ~3000 molecules tested in one or several of 17 anti-Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

  2. Quantitative Chemical Analysis of Enceladus' Plume Composition.

    Science.gov (United States)

    Peter, J.; Nordheim, T.; Hofmann, A.; Hand, K. P.

    2017-12-01

    Analyses of data from Cassini's Ion and Neutral Mass Spectrometer (INMS) taken during several close flybys of Enceladus suggest the presence of a potentially habitable ocean underneath the ice shell [1,2]. Proper identification of the molecular species sampled from Enceladus' plumes by INMS is of utmost importance for characterizing the ocean's chemical composition. Data from Cassini's Cosmic Dust Analyzer (CDA) and Visible and Infrared Mapping Spectrometer (VIMS) have provided clues for possible plume chemistry, but further analysis of the INMS data is necessary [3,4]. Here we present a novel automated algorithm for comparing INMS spectra and analogue laboratory spectra to a vast library of sample spectra provided by the National Institute of Standards and Technology (NIST). The algorithm implements a Monte Carlo simulation that computes the angular similarity between the spectrum of interest and a random sample of synthetic spectra generated at arbitrary mixing ratios of molecular species. The synthetic spectra with the highest similarity scores are then averaged to produce a convergent estimate of the mixing ratio of the spectrum of interest. Here we will discuss the application of this technique to INMS and laboratory data and the implication of our preliminary results for the ocean chemistry and habitability of Enceladus. 1. Waite, J., et al., 2009. Liquid Water on Enceladus From Observations of Ammonia and 40Ar in the Plume. Nature 460, 487-498. 2. Waite, J., et al. 2017. Cassini Finds Molecular Hydrogen in the Enceladus Plume: Evidence for Hydrothermal Processes. Science 356, 155-159. 3. Postberg, F., et al., 2008. The E Ring in the Vicinity of Enceladus II: Signatures of Enceladus in the Elemental Composition of E-Ring Particles. Icarus 193(2), 438-454. 4. Brown, R., et al., 2006. Composition and Physical Properties of Enceladus' Surface. Science 311, 1425-1428.

  3. Integrated polymer waveguides for absorbance detection in chemical analysis systems

    DEFF Research Database (Denmark)

    Mogensen, Klaus Bo; El-Ali, Jamil; Wolff, Anders

    2003-01-01

    A chemical analysis system for absorbance detection with integrated polymer waveguides is reported for the first time. The fabrication procedure relies on structuring of a single layer of the photoresist SU-8, so both the microfluidic channel network and the optical components, which include planar...... waveguides and fiber-to-waveguide coupler structures, are defined in the same processing step. This results in self-alignment of all components and enables a fabrication and packaging time of only one day. The fabrication scheme has recently been presented elsewhere for fluorescence excitation of beads...

  4. chemical analysis and base- promoted hydrolysis of locally ...

    African Journals Online (AJOL)

    Wara

    ABSTRACT. The study was on the chemical analysis and base- promoted hydrolysis of extracted shea nut fat. The local method of extraction of the shea nut oil was employed in comparison with literature report. A simple cold-process alkali hydrolysis of the shea nut oil was used in producing the soap. The chemical analysis ...

  5. Chemical analysis and base-promoted hydrolysis of locally ...

    African Journals Online (AJOL)

    The study was on the chemical analysis and base- promoted hydrolysis of extracted shea nut fat. The local method of extraction of the shea nut oil was employed in comparison with literature report. A simple cold-process alkali hydrolysis of the shea nut oil was used in producing the soap. The chemical analysis of the oil ...

  6. Chemical Engineering Data Analysis Made Easy with DataFit

    Science.gov (United States)

    Brenner, James R.

    2006-01-01

    The outline for half of a one-credit-hour course in analysis of chemical engineering data is presented, along with a range of typical problems encountered later on in the chemical engineering curriculum that can be used to reinforce the data analysis skills learned in the course. This mini course allows students to be exposed to a variety of ChE…

  7. Chemical kinetic functional sensitivity analysis: Elementary sensitivities

    International Nuclear Information System (INIS)

    Demiralp, M.; Rabitz, H.

    1981-01-01

    Sensitivity analysis is considered for kinetics problems defined in the space--time domain. This extends an earlier temporal Green's function method to handle calculations of elementary functional sensitivities deltau/sub i//deltaα/sub j/ where u/sub i/ is the ith species concentration and α/sub j/ is the jth system parameter. The system parameters include rate constants, diffusion coefficients, initial conditions, boundary conditions, or any other well-defined variables in the kinetic equations. These parameters are generally considered to be functions of position and/or time. Derivation of the governing equations for the sensitivities and the Green's funciton are presented. The physical interpretation of the Green's function and sensitivities is given along with a discussion of the relation of this work to earlier research

  8. Computational Issues in Analysis and Design of Chemical-Laser Flow-Fields

    National Research Council Canada - National Science Library

    Eppard, W

    2002-01-01

    In support of the Air Force's airborne laser (ABL) development program. state-of-the-art CFD analysis and design methods have been extended to include the physical models important in chemical oxygen-iodine laser (COIL) systems...

  9. Chemical and thermal analysis for characterisation of building materials

    International Nuclear Information System (INIS)

    Kumar, S.C.; Sudersanan, M.; Ravindran, P.V.; Kalekar, B.B.; Mathur, P.K.

    2000-01-01

    Cement and other construction materials are extensively used for the construction of shielding materials for nuclear and high energy radiations. The design and optimum utilisation of such materials need an accurate analysis of their chemical composition. The moisture content and presence of bound water and other volatile materials are also important. The use of thermal analysis supplements the data obtained by chemical analysis and enables a distinction of moisture and chemically bound water. It also enables an identification of the process leading to the loss on ignition. The work carried out on the analysis of sand, cement and other aggregate materials used for the preparation of concrete is described in the paper. (author)

  10. Chemical Diversity, Origin, and Analysis of Phycotoxins

    DEFF Research Database (Denmark)

    Rasmussen, Silas Anselm; Andersen, Aaron John Christian; Andersen, Nikolaj Gedsted

    2016-01-01

    , yessotoxins, azaspiracids, brevetoxins, and pinnatoxins. Other toxins, such as ciguatoxins and maitotoxins, accumulate in fish, where, as is the case for the latter compounds, they can be metabolized to even more toxic metabolites. On the other hand, much less is known about the chemical nature of compounds...

  11. Fast analysis of narcotic drugs by optical chemical imaging

    International Nuclear Information System (INIS)

    Fisher, Michal; Bulatov, Vallery; Schechter, Israel

    2003-01-01

    A new technique is proposed for fast detection, identification and imaging of narcotic drugs in their solid phase. This technique, which requires only a tiny sample of a few microns, is based on microscopic chemical imaging. Minor sample preparation is required, and results are obtained within seconds. As far as we know, this is the most sensitive detection system available today for solid drugs. The technique can be applied for fast analysis of minute drug residues, and therefore is of considerable importance for forensic applications. It is shown that identification of drug traces in realistic matrixes is possible. Two main methods were applied in this study for detection of drugs and drug derivatives. The first method was based on direct detection and chemical imaging of the auto-fluorescence of the analyzed drugs. This method is applicable when the analyzed drug emits fluorescence under the experiment conditions, such as lysergic acid diethylamide (known as LSD). The second method was used for obtaining chemical imaging of drugs that do not fluoresce under the experiment conditions. In these cases fluorescent labeling dyes were applied to the examined samples (including the drug and the matrix). Both methods are simple and rapid, and require minor or no sample preparation at all. Detection limits are very low in the picogram range

  12. Recognizing chemicals in patents: a comparative analysis.

    Science.gov (United States)

    Habibi, Maryam; Wiegandt, David Luis; Schmedding, Florian; Leser, Ulf

    2016-01-01

    Recently, methods for Chemical Named Entity Recognition (NER) have gained substantial interest, driven by the need for automatically analyzing todays ever growing collections of biomedical text. Chemical NER for patents is particularly essential due to the high economic importance of pharmaceutical findings. However, NER on patents has essentially been neglected by the research community for long, mostly because of the lack of enough annotated corpora. A recent international competition specifically targeted this task, but evaluated tools only on gold standard patent abstracts instead of full patents; furthermore, results from such competitions are often difficult to extrapolate to real-life settings due to the relatively high homogeneity of training and test data. Here, we evaluate the two state-of-the-art chemical NER tools, tmChem and ChemSpot, on four different annotated patent corpora, two of which consist of full texts. We study the overall performance of the tools, compare their results at the instance level, report on high-recall and high-precision ensembles, and perform cross-corpus and intra-corpus evaluations. Our findings indicate that full patents are considerably harder to analyze than patent abstracts and clearly confirm the common wisdom that using the same text genre (patent vs. scientific) and text type (abstract vs. full text) for training and testing is a pre-requisite for achieving high quality text mining results.

  13. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol ...

    Indian Academy of Sciences (India)

    2017-06-20

    Jun 20, 2017 ... ... Pramana – Journal of Physics; Volume 89; Issue 1. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol using quantum chemical approach and its experimental verification. DEVENDRA P MISHRA ANCHAL SRIVASTAVA R K SHUKLA. Special Issue Volume 89 Issue 1 July 2017 Article ID 12 ...

  14. Availability Analysis of Chemicals for Water Treatment: An ...

    African Journals Online (AJOL)

    Availability Analysis of Chemicals for Water Treatment: An Application to Edo and Anambra State Water Utilities Boards. ... Nigerian Journal of Technology ... This paper considers the shipment of regular supplies of large quantities of chemicals used in treating water to potable standard in a developing country. A model to ...

  15. Microbiological and physico-chemical analysis of soymilk and ...

    African Journals Online (AJOL)

    Microbiological and physico-chemical analysis of soymilk and soyflour sold in Uyo metropolis, Nigeria. A. A. Brooks, N. U. Asamudo, F. C Udoukpo. Abstract. Ten samples each of unbranded soymilk and soyflour sold in Uyo metropolis were subjected to microbiological and physico-chemical studies. The microorganisms ...

  16. Technologies and microstructures for separation techniques in chemical analysis

    NARCIS (Netherlands)

    Spiering, Vincent L.; Spiering, V.L.; Lammerink, Theodorus S.J.; Jansen, Henricus V.; van den Berg, Albert; Fluitman, J.H.J.

    1996-01-01

    The possibilities for microtechnology in chemical analysis and separation techniques are discussed. The combination of the materials and the dimensions of structures can limit the sample and waste volumes on the one hand, but also increases the performance of the chemical systems. Especially in high

  17. Post-mission data analysis of Surveyor mission chemical data

    Science.gov (United States)

    Turkevich, A.

    1973-01-01

    Prime data from chemical analysis experiments, of Surveyor 5, 6, and 7 are critically examined and analyzed. This and associated laboratory work has given final chemical composition results for the lunar regolith at three locations. The conclusions made on the basis of the preliminary examinations of the data are confirmed and extended.

  18. Cosmetics chemical composition characterization by instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Ana Paula; Pereira, Gustavo Jose; Amaral, Angela Maria; Ferreira, Andrea Vidal, E-mail: ana_allves2008@hotmail.co [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2009-07-01

    Brazil is in the third position in the world's cosmetics market. It is an expanding and growing market where new products and manufacturing processes are in a constant and steady expansion. Therefore, it is mandatory that the composition of the products is well known in order to guarantee safety and quality of daily used cosmetics. The Brazilian National Health Surveillance Agency (ANVISA) has issued a resolution, RDC No. 48, March 16, 2006, which defines a 'List of Substances which can not be used in personal hygiene products, cosmetics and perfumes'. In this work, samples of locally manufactured and imported cosmetics (lipsticks, eye shadows, etc.) were analyzed using the Instrumental Neutron Activation Analysis technique. The samples were irradiated in the TRIGA IPR-R1 reactor of the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN), on a 100kW thermal power, with a thermal neutron fluence rate about 8x10{sup 11}ncm{sup -2}s{sup -1}. The analysis has detected the chemical elements Br, Ba, Ga, Na, K, Sc, Fe, Cr, Zn, Sm, W, La, Rb, Cs, Ta, Ge, Co, U, Ti, V, Cl, Al, Mn and Cu. The concentrations of these elements are on a range from 5 to 3000mug.g{sup -1}. Some chemical elements observed in samples (Cl, Br, Cr, U) are included at ANVISA prohibitive list. (author)

  19. Chemical Analysis of Wastewater from Unconventional Drilling Operations

    Directory of Open Access Journals (Sweden)

    Jonathan B. Thacker

    2015-04-01

    Full Text Available Trillions of liters of wastewater from oil and gas extraction are generated annually in the US. The contribution from unconventional drilling operations (UDO, such as hydraulic fracturing, to this volume will likely continue to increase in the foreseeable future. The chemical content of wastewater from UDO varies with region, operator, and elapsed time after production begins. Detailed chemical analyses may be used to determine its content, select appropriate treatment options, and identify its source in cases of environmental contamination. In this study, one wastewater sample each from direct effluent, a disposal well, and a waste pit, all in West Texas, were analyzed by gas chromatography-mass spectrometry, inductively coupled plasma-optical emission spectroscopy, high performance liquid chromatography-high resolution mass spectrometry, high performance ion chromatography, total organic carbon/total nitrogen analysis, and pH and conductivity analysis. Several compounds known to compose hydraulic fracturing fluid were detected among two of the wastewater samples including 2-butoxyethanol, alkyl amines, and cocamide diethanolamines, toluene, and o-xylene. Due both to its quantity and quality, proper management of wastewater from UDO will be essential.

  20. Cosmetics chemical composition characterization by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Alves, Ana Paula; Pereira, Gustavo Jose; Amaral, Angela Maria; Ferreira, Andrea Vidal

    2009-01-01

    Brazil is in the third position in the world's cosmetics market. It is an expanding and growing market where new products and manufacturing processes are in a constant and steady expansion. Therefore, it is mandatory that the composition of the products is well known in order to guarantee safety and quality of daily used cosmetics. The Brazilian National Health Surveillance Agency (ANVISA) has issued a resolution, RDC No. 48, March 16, 2006, which defines a 'List of Substances which can not be used in personal hygiene products, cosmetics and perfumes'. In this work, samples of locally manufactured and imported cosmetics (lipsticks, eye shadows, etc.) were analyzed using the Instrumental Neutron Activation Analysis technique. The samples were irradiated in the TRIGA IPR-R1 reactor of the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN), on a 100kW thermal power, with a thermal neutron fluence rate about 8x10 11 ncm -2 s -1 . The analysis has detected the chemical elements Br, Ba, Ga, Na, K, Sc, Fe, Cr, Zn, Sm, W, La, Rb, Cs, Ta, Ge, Co, U, Ti, V, Cl, Al, Mn and Cu. The concentrations of these elements are on a range from 5 to 3000μg.g -1 . Some chemical elements observed in samples (Cl, Br, Cr, U) are included at ANVISA prohibitive list. (author)

  1. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.

    Science.gov (United States)

    Hanwell, Marcus D; Curtis, Donald E; Lonie, David C; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R

    2012-08-13

    The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types. The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API) with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology. The Avogadro application provides a rich graphical interface using dynamically loaded plugins through the library itself. The application and library can each be extended by implementing a plugin module in C++ or Python to explore different visualization techniques, build/manipulate molecular structures, and interact with other programs. We describe some example extensions, one which uses a genetic algorithm to find stable crystal structures, and one which interfaces with the PackMol program to create packed, solvated structures for molecular dynamics simulations. The 1.0 release series of Avogadro is the main focus of the results discussed here. Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format. For developers, it can be easily extended via a powerful

  2. High resolution Physio-chemical Tissue Analysis: Towards Non-invasive In Vivo Biopsy

    Science.gov (United States)

    Xu, Guan; Meng, Zhuo-Xian; Lin, Jian-Die; Deng, Cheri X.; Carson, Paul L.; Fowlkes, J. Brian; Tao, Chao; Liu, Xiaojun; Wang, Xueding

    2016-02-01

    Conventional gold standard histopathologic diagnosis requires information of both high resolution structural and chemical changes in tissue. Providing optical information at ultrasonic resolution, photoacoustic (PA) technique could provide highly sensitive and highly accurate tissue characterization noninvasively in the authentic in vivo environment, offering a replacement for histopathology. A two-dimensional (2D) physio-chemical spectrogram (PCS) combining micrometer to centimeter morphology and chemical composition simultaneously can be generated for each biological sample with PA measurements at multiple optical wavelengths. This spectrogram presents a unique 2D “physio-chemical signature” for any specific type of tissue. Comprehensive analysis of PCS, termed PA physio-chemical analysis (PAPCA), can lead to very rich diagnostic information, including the contents of all relevant molecular and chemical components along with their corresponding histological microfeatures, comparable to those accessible by conventional histology. PAPCA could contribute to the diagnosis of many diseases involving diffusive patterns such as fatty liver.

  3. Does Working Memory Training Transfer? A Meta-Analysis Including Training Conditions as Moderators

    Science.gov (United States)

    Schwaighofer, Matthias; Fischer, Frank; Bühner, Markus

    2015-01-01

    A meta-analysis was undertaken to reexamine near- and far-transfer effects following working-memory training and to consider potential moderators more systematically. Forty-seven studies with 65 group comparisons were included in the meta-analysis. Results showed near-transfer effects to short-term and working-memory skills that were sustained at…

  4. A review of the reliability analysis of LPRS including the components repairs

    International Nuclear Information System (INIS)

    Oliveira, L.F.S. de; Fleming, P.V.; Frutuoso e Melo, P.F.F.; Tayt-Sohn, L.C.

    1983-01-01

    The reliability analysis of low pressure recirculation system in its long-term recicurlation phase before 24hs is presented. The possibility of repairing the components out of the containment is included. A general revision of analysis of the short-term recirculation phase is done. (author) [pt

  5. Including exposure variability in the life cycle impact assessment of indoor chemical emissions: the case of metal degreasing.

    Science.gov (United States)

    Golsteijn, Laura; Huizer, Daan; Hauck, Mara; van Zelm, Rosalie; Huijbregts, Mark A J

    2014-10-01

    The present paper describes a method that accounts for variation in indoor chemical exposure settings and accompanying human toxicity in life cycle assessment (LCA). Metal degreasing with dichloromethane was used as a case study to show method in practice. We compared the human toxicity related to the degreasing of 1m(2) of metal surface in different exposure scenarios for industrial workers, professional users outside industrial settings, and home consumers. The fraction of the chemical emission that is taken in by exposed individuals (i.e. the intake fraction) was estimated on the basis of operational conditions (e.g. exposure duration), and protective measures (e.g. local exhaust ventilation). The introduction of a time-dependency and a correction for protective measures resulted in reductions in the intake fraction of up to 1.5 orders of magnitude, compared to application of existing, less advanced models. In every exposure scenario, the life cycle impacts for human toxicity were mainly caused by indoor exposure to metal degreaser (>60%). Emissions released outdoors contributed up to 22% of the life cycle impacts for human toxicity, and the production of metal degreaser contributed up to 19%. These findings illustrate that human toxicity from indoor chemical exposure should not be disregarded in LCA case studies. Particularly when protective measures are taken or in the case of a short duration (1h or less), we recommend the use of our exposure scenario-specific approach. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. A Chemical Plant Safety and Hazard Analysis Course.

    Science.gov (United States)

    Gupta, J. P.

    1989-01-01

    Describes a course for teaching chemical engineering students about safety and hazards. Summarizes the course content including topics for term papers and disciplines related to this course. Lists 18 references. (YP)

  7. Uranium complexes with macrosyclic polyethers. Synthesis and structural chemical analysis

    International Nuclear Information System (INIS)

    Elbasyouny, A.

    1983-01-01

    This dissertation reports about studies on the chemical coordination behaviour of uranium of oxidation stages IV and VI with regard to twelve different macrocyclic ligands. For the preparation of the complexes, for every system a different method has been developed. The elementary analysis of the various complexes including the uranium had been done by X-ray fluorescence analysis, and the structural characterization proceeded via vibrational, uv-vis and emission spectroscopy as well as 1 H-NMR and 13 C-spin-lattice relaxation time studies. Conformational analysis of the polyethers used allowed the structural changes in the complexes to be observed. The structural analysis of the hydrous uranium VI crown ether complexes yielded information of characteristic features of these types of complexes. The first coordination sphere of the uranyl ion with covalently bonded anion remains unchanged. As to the water content, there is a certain range. Depending upon the solvent used, the complexes have two or four H 2 O molecules per formula unit. (orig./EF) [de

  8. A systematic review including meta-analysis of work environment and depressive symptoms.

    Science.gov (United States)

    Theorell, Töres; Hammarström, Anne; Aronsson, Gunnar; Träskman Bendz, Lil; Grape, Tom; Hogstedt, Christer; Marteinsdottir, Ina; Skoog, Ingmar; Hall, Charlotte

    2015-08-01

    Depressive symptoms are potential outcomes of poorly functioning work environments. Such symptoms are frequent and cause considerable suffering for the employees as well as financial loss for the employers. Accordingly good prospective studies of psychosocial working conditions and depressive symptoms are valuable. Scientific reviews of such studies have pointed at methodological difficulties but still established a few job risk factors. Those reviews were published some years ago. There is need for an updated systematic review using the GRADE system. In addition, gender related questions have been insufficiently reviewed. Inclusion criteria for the studies published 1990 to June 2013: 1. European and English speaking countries. 2. Quantified results describing the relationship between exposure (psychosocial or physical/chemical) and outcome (standardized questionnaire assessment of depressive symptoms or interview-based clinical depression). 3. Prospective or comparable case-control design with at least 100 participants. 4. Assessments of exposure (working conditions) and outcome at baseline and outcome (depressive symptoms) once again after follow-up 1-5 years later. 5. Adjustment for age and adjustment or stratification for gender. Studies filling inclusion criteria were subjected to assessment of 1.) relevance and 2.) quality using predefined criteria. Systematic review of the evidence was made using the GRADE system. When applicable, meta-analysis of the magnitude of associations was made. Consistency of findings was examined for a number of possible confounders and publication bias was discussed. Fifty-nine articles of high or medium high scientific quality were included. Moderately strong evidence (grade three out of four) was found for job strain (high psychological demands and low decision latitude), low decision latitude and bullying having significant impact on development of depressive symptoms. Limited evidence (grade two) was shown for psychological

  9. Analysis of blood spots for polyfluoroalkyl chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Kayoko; Wanigatunga, Amal A.; Needham, Larry L. [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States); Calafat, Antonia M., E-mail: acalafat@cdc.gov [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States)

    2009-12-10

    Polyfluoroalkyl chemicals (PFCs) have been detected in humans, in the environment, and in ecosystems around the world. The potential for developmental and reproductive toxicities of some PFCs is of concern especially to children's health. In the United States, a sample of a baby's blood, called a 'dried blood spot' (DBS), is obtained from a heel stick within 48 h of a child's birth. DBS could be useful for assessing prenatal exposure to PFCs. We developed a method based on online solid phase extraction coupled with high performance liquid chromatography-isotope dilution tandem mass spectrometry for measuring four PFCs in DBS, perfluorooctane sulfonate (PFOS), perfluorohexane sulfonate, perfluorooctanoate (PFOA), and perfluorononanoate. The analytical limits of detection using one whole DBS ({approx}75 {mu}L of blood) were <0.5 ng mL{sup -1}. To validate the method, we analyzed 98 DBS collected in May 2007 in the United States. PFOS and PFOA were detected in all DBS at concentrations in the low ng mL{sup -1} range. These data suggest that DBS may be a suitable matrix for assessing perinatal exposure to PFCs, but additional information related to sampling and specimen storage is needed to demonstrate the utility of these measures for assessing exposure.

  10. Electron Spectroscopy: Applications for Chemical Analysis

    Science.gov (United States)

    Heercules, David M.

    2004-01-01

    The development of XPS as an effective method for surface analysis during the period 1964-1977 is presented. The study shows that unlike other surface methods, XPS data can be obtained for both conductors and insulators and a variety of samples can be handled effectively, which is one of the major reasons for the popularity of the technique.

  11. Droplet microfluidics in (bio) chemical analysis

    Czech Academy of Sciences Publication Activity Database

    Basova, E. Y.; Foret, František

    2015-01-01

    Roč. 140, č. 1 (2015), s. 22-38 ISSN 0003-2654 R&D Projects: GA ČR(CZ) GBP206/12/G014 Institutional support: RVO:68081715 Keywords : droplet chemistry * bio analysis * microfluidics * protein Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.033, year: 2015

  12. CHEMICAL ANALYSIS OF SOME NIGERIAN GYPSUM AND ...

    African Journals Online (AJOL)

    X-ray fluorescence analyzer (XRF) was employed in the analysis of some local and imported stocks of gypsum and limestone utilized by a leading cement manufacturing industry in Nigeria. In addition, the recycled dust standard reference samples were also analyzed along with the raw materials in question. The gypsum ...

  13. Chemical composition, antimicrobial activity, proximate analysis and ...

    African Journals Online (AJOL)

    Detarium senegalense JF Gmelin (Caesalpiniaceae), commonly known as tallow tree, is used traditionally for the treatment of bronchitis, pneumonia, internal complaints and skin diseases in Tropical Africa. The seed is used as a soup thickener in Eastern Nigeria. Analysis of the petroleum ether extract of the seeds with ...

  14. Arrays in biological and chemical analysis

    DEFF Research Database (Denmark)

    Christensen, Claus Bo Vöge

    2002-01-01

    Recently a dramatic change has happened for biological and biochemical analysis. Originally developed as an academic massive parallel screening tool, industry has caught the idea as well of performing all kinds of assays in the new format of microarrays. From food manufacturers over water supply...

  15. Fractionation of chemical elements including the REEs and 226Ra in stream contaminated with coal-mine effluent

    International Nuclear Information System (INIS)

    Centeno, L.M.; Faure, G.; Lee, G.; Talnagi, J.

    2004-01-01

    Water draining from abandoned open-pit coal mines in southeastern Ohio typically has a low pH and high concentrations of Fe, Al and Mn, as well as of trace metals (Pb, Cu, Zn, Ni, Co, etc.) and of the rare earth elements (REEs). The cations of different elements are sorbed selectively by Fe and Al hydroxide precipitates which form with increasing pH. As a result, the trace elements are separated from each other when the hydroxide precipitates are deposited in the channel of a flowing stream. Therefore, the low-energy environment of a stream contaminated by mine effluent is a favorable site for the chemical fractionation of the REEs and of other groups of elements with similar chemical properties. The interpretation of chemical analyses of water collected along a 30-km-stretch of Rush Creek near the town of New Lexington, Perry County, Ohio, indicates that the abundances of the REEs in the water appear to change downstream when they are normalized to the REE concentrations of the mine effluent. In addition, the Ce/La ratios (and those of all REEs) in the water decrease consistently downstream. The evidence indicates that the REEs which remain in solution are enriched La and Ce because the other REEs are sorbed more efficiently. The solid Fe(OH) 3 precipitates in the channel of Rush Creek upstream of New Lexington also contain radioactive 226 Ra that was sorbed from the water. This isotope of Ra is a decay product of 238 U which occurs in the Middle Pennsylvanian (Upper Carboniferous) coal and in the associated shale of southeastern Ohio. The activity of 226 Ra of the Fe(OH) 3 precipitates increases with rising pH, but then declines farther downstream as the concentration of Ra remaining in the water decreases

  16. Generation and analysis of chemical compound libraries

    Energy Technology Data Exchange (ETDEWEB)

    Gregoire, John M.; Jin, Jian; Kan, Kevin S.; Marcin, Martin R.; Mitrovic, Slobodan; Newhouse, Paul F.; Suram, Santosh K.; Xiang, Chengxiang; Zhou, Lan

    2017-10-03

    Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.

  17. Chemical analysis of rare earth elements

    International Nuclear Information System (INIS)

    Tsukahara, Ryoichi; Sakoh, Takefumi; Nagai, Iwao

    1994-01-01

    Recently attention has been paid to ICP-AES or ICP-MS, and the reports on the analysis of rare earth elements by utilizing these methods continue to increase. These reports have become to take about 30% of the reports on rare earth analysis, and this is because these methods are highly sensitive to rare earth elements, and also these methods have spread widely. In ICP-AES and ICP-MS, mostly solution samples are measured, therefore, solids must be made into solution. At the time of quantitatively determining the rare earth elements of low concentration, separation and concentration are necessary. Referring to the literatures reported partially in 1990 and from 1991 to 1993, the progress of ICP-AES and ICP-MS is reported. Rare earth oxides and the alloys containing rare earth elements are easily decomposed with acids, but the decomposition of rocks is difficult, and its method is discussed. The separation of the rare earth elements from others in geochemical samples, cation exchange process is frequently utilized. Also solvent extraction process has been studied. For the separation of rare earth elements mutually, chromatography is used. The spectral interference in spectral analysis was studied. The comparison of these methods with other methods is reported. (K.I)

  18. [Automation of chemical analysis in enology].

    Science.gov (United States)

    Dubernet, M

    1978-01-01

    Automatic dosages took place a short time ago in oenology laboratories. First researchs about automation of usual manual analysis have been completed by I.N.R.A. Station of Dijon during 1969--1972 years. Then, other researchs were made and in 1974 the first automatic analyser appeared in application laboratories. In all cases continuous flow method was used. First dosages which has been carried out are volatic acidity, residual sugars, total SO2. The rate of work is 30 samples an hour. Then, an original way for free SO2 was suggested. At present, about a dozen of laboratories in France use these dosages. The ethanol dosage automation, very important in oenology, is very difficult to carry out. A new method using a thermometric analyzer is tested. Research about many dosages as tartaric, malic, lactic acids, glucose, fructose, glycérol, have been performed especially by I.N.R.A. Station in Narbonne. But these dosages are not current and at present no laboratory apply them. Now, equipments price and redemption, change of tradionnal dosages for automatical methods and the level of knowledge required for operators are well known. The reproducibility and the accuracy of the continuous flow automatic dosages allow, for enough important laboratories, to make an increasing number of analysis necessary for wine quality control.

  19. Surface chemical composition analysis of heat-treated bamboo

    International Nuclear Information System (INIS)

    Meng, Fan-dan; Yu, Yang-lun; Zhang, Ya-mei; Yu, Wen-ji; Gao, Jian-min

    2016-01-01

    Highlights: • Investigate the detailed chemical components contents change of bamboo due to heating. • Chemical analysis of bamboo main components during heating. • Identify the connection between the oxygen to carbon atomic ratio changes and chemical degradation. - Abstract: In this study, the effect of heat treatment on the chemical composition of bamboo slivers was studied. The chemical properties of the samples were examined by chemical analysis. Results showed a decrease in the contents of holocellulose and α-cellulose, as well as an increase in the contents of lignin and extractives. Changes in the chemical structure of bamboo components were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). FTIR spectroscopy results indicated that hemicellulose contents decrease, whereas lignin contents increase after heat treatment. Ester formation linked to lignin decreased the hygroscopicity of the bamboo samples and consequently improved their dimensional stability and durability. XPS spectroscopy results showed that hemicelluloses and celluloses are relatively more sensitive to the heating process than lignin. As a consequence, hemicellulose and cellulose contents decreased, whereas lignin contents increased during heat treatment. The results obtained in this study provide useful information for the future utilization of heat-treated bamboo.

  20. Handbook of Basic Tables for Chemical Analysis. Final report

    International Nuclear Information System (INIS)

    Bruno, T.J.; Svoronos, P.D.N.

    1988-04-01

    This work began as a slim booklet prepared by one of the authors (TJB) to accompany a course on chemical instrumentation presented at the National Bureau of Standards, Boulder Laboratories. The booklet contained tables on chromatography, spectroscopy, and chemical (wet) methods, and was intended to provide the students with enough basic data to design their own analytical methods and procedures. Shortly thereafter, with the co-authorship of Prof. Paris D. N. Svoronos, it was expanded into a more-extensive compilation entitled Basic Tables for Chemical Analysis, published as National Bureau of Standards Technical Note 1096. That work has now been expanded and updated into the present body of tables. Although there have been considerable changes since the first version of these tables, the aim has remained essentially the same. The authors have tried to provide a single source of information for those practicing scientists and research students who must use various aspects of chemical analysis in their work. In this respect, it is geared less toward the researcher in analytical chemistry than to those practitioners in other chemical disciplines who must have routine use of chemical analysis

  1. International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

    Science.gov (United States)

    Bulluck, J. W.; Rushing, R. A.

    1996-01-01

    Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

  2. Cost-effectiveness analysis of chemical testing for decision-support: How to include animal welfare?

    NARCIS (Netherlands)

    Gabbert, S.G.M.; Ierland, van E.C.

    2010-01-01

    Toxicity testing for regulatory purposes raises the question of test selection for a particular endpoint. Given the public's concern for animal welfare, test selection is a multi-objective decision problem that requires balancing information outcome, animal welfare loss, and monetary testing costs.

  3. Development of chemical analysis techniques: pt. 3

    International Nuclear Information System (INIS)

    Kim, K.J.; Chi, K.Y.; Choi, G.C.

    1981-01-01

    For the purpose of determining trace rare earths a spectrofluorimetric method has been studied. Except Ce and Tb, the fluorescence intensities are not enough to allow satisfactory analysis. Complexing agents such as tungstate and hexafluoroacetylacetone should be employed to increase fluorescence intensities. As a preliminary experiment for the separation of individual rare earth element and uranium, the distribution coefficient, % S here, are obtained on the Dowex 50 W against HCl concentration by a batch method. These % S data are utilized to obtain elution curves. The % S data showed a minimum at around 4 M HCl. To understand this previously known phenomenon the adsorption of Cl - on Dowex 50 W is examined as a function of HCl concentration and found to be decreasing while % S of rare earths increasing. It is interpreted that Cl - and rare earth ions are moved into the resin phase separately and that the charge and the charge densities of these ions are responsible for the different % S curves. Dehydration appears to play an important role in the upturn of the % S curves at higher HCl concentrations

  4. An integrated mathematical model for chemical oxygen demand (COD) removal in moving bed biofilm reactors (MBBR) including predation and hydrolysis.

    Science.gov (United States)

    Revilla, Marta; Galán, Berta; Viguri, Javier R

    2016-07-01

    An integrated mathematical model is proposed for modelling a moving bed biofilm reactor (MBBR) for removal of chemical oxygen demand (COD) under aerobic conditions. The composite model combines the following: (i) a one-dimensional biofilm model, (ii) a bulk liquid model, and (iii) biological processes in the bulk liquid and biofilm considering the interactions among autotrophic, heterotrophic and predator microorganisms. Depending on the values for the soluble biodegradable COD loading rate (SCLR), the model takes into account a) the hydrolysis of slowly biodegradable compounds in the bulk liquid, and b) the growth of predator microorganisms in the bulk liquid and in the biofilm. The integration of the model and the SCLR allows a general description of the behaviour of COD removal by the MBBR under various conditions. The model is applied for two in-series MBBR wastewater plant from an integrated cellulose and viscose production and accurately describes the experimental concentrations of COD, total suspended solids (TSS), nitrogen and phosphorous obtained during 14 months working at different SCLRs and nutrient dosages. The representation of the microorganism group distribution in the biofilm and in the bulk liquid allow for verification of the presence of predator microorganisms in the second reactor under some operational conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. New analytical techniques for cuticle chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Schulten, H.R. [Fachhochschule Fresenius, Dept. of Trace Analysis, Wiesbaden (Germany)

    1994-12-31

    1) The analytical methodology of pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and direct pyrolysis-mass spectrometry (Py-MS) using soft ionization techniques by high electric fields (FL) are briefly described. Recent advances of Py-GC/MS and Py-FIMS for the analyses of complex organic matter such as plant materials, humic substances, dissolved organic matter in water (DOM) and soil organic matter (SOM) in agricultural and forest soils are given to illustrate the potential and limitations of the applied methods. 2) Novel applications of Py-GC/MS and Py-MS in combination with conventional analytical data in an integrated, chemometric approach to investigate the dynamics of plant lipids are reported. This includes multivariate statistical investigations on maturation, senescence, humus genesis, and environmental damages in spruce ecosystems. 3) The focal point is the author`s integrated investigations on emission-induced changes of selected conifer plant constituents. Pattern recognition of Py-MS data of desiccated spruce needles provides a method for distinguishing needles damaged in different ways and determining the cause. Spruce needles were collected from both controls and trees treated with sulphur dioxide (acid rain), nitrogen dioxide, and ozone under controlled conditions. Py-MS and chemometric data evaluation are employed to characterize and classify leaves and their epicuticular waxes. Preliminary mass spectrometric evaluations of isolated cuticles of different plants such as spruce, ivy, holly, and philodendron, as well as ivy cuticles treated in vivo with air pollutants such as surfactants and pesticides are given. (orig.)

  6. New analytical techniques for cuticle chemical analysis

    International Nuclear Information System (INIS)

    Schulten, H.R.

    1994-01-01

    1) The analytical methodology of pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and direct pyrolysis-mass spectrometry (Py-MS) using soft ionization techniques by high electric fields (FL) are briefly described. Recent advances of Py-GC/MS and Py-FIMS for the analyses of complex organic matter such as plant materials, humic substances, dissolved organic matter in water (DOM) and soil organic matter (SOM) in agricultural and forest soils are given to illustrate the potential and limitations of the applied methods. 2) Novel applications of Py-GC/MS and Py-MS in combination with conventional analytical data in an integrated, chemometric approach to investigate the dynamics of plant lipids are reported. This includes multivariate statistical investigations on maturation, senescence, humus genesis, and environmental damages in spruce ecosystems. 3) The focal point is the author's integrated investigations on emission-induced changes of selected conifer plant constituents. Pattern recognition of Py-MS data of desiccated spruce needles provides a method for distinguishing needles damaged in different ways and determining the cause. Spruce needles were collected from both controls and trees treated with sulphur dioxide (acid rain), nitrogen dioxide, and ozone under controlled conditions. Py-MS and chemometric data evaluation are employed to characterize and classify leaves and their epicuticular waxes. Preliminary mass spectrometric evaluations of isolated cuticles of different plants such as spruce, ivy, holly, and philodendron, as well as ivy cuticles treated in vivo with air pollutants such as surfactants and pesticides are given. (orig.)

  7. Models of low-mass helium white dwarfs including gravitational settling, thermal and chemical diffusion, and rotational mixing

    Science.gov (United States)

    Istrate, A. G.; Marchant, P.; Tauris, T. M.; Langer, N.; Stancliffe, R. J.; Grassitelli, L.

    2016-10-01

    A large number of extremely low-mass helium white dwarfs (ELM WDs) have been discovered in recent years. The majority of them are found in close binary systems suggesting they are formed either through a common-envelope phase or via stable mass transfer in a low-mass X-ray binary (LMXB) or a cataclysmic variable (CV) system. Here, we investigate the formation of these objects through the LMXB channel with emphasis on the proto-WD evolution in environments with different metallicities. We study for the first time the combined effects of rotational mixing and element diffusion (e.g. gravitational settling, thermal and chemical diffusion) on the evolution of proto-WDs and on the cooling properties of the resulting WDs. We present state-of-the-art binary stellar evolution models computed with MESA for metallicities of Z = 0.02, 0.01, 0.001 and 0.0002, producing WDs with masses between 0.16-0.45 M⊙. Our results confirm that element diffusion plays a significant role in the evolution of proto-WDs that experience hydrogen shell flashes. The occurrence of these flashes produces a clear dichotomy in the cooling timescales of ELM WDs, which has important consequences e.g. for the age determination of binary millisecond pulsars. In addition, we confirm that the threshold mass at which this dichotomy occurs depends on metallicity. Rotational mixing is found to counteract the effect of gravitational settling in the surface layers of young, bloated ELM proto-WDs and therefore plays a key role in determining their surface chemical abundances, I.e. the observed presence of metals in their atmospheres. We predict that these proto-WDs have helium-rich envelopes through a significant part of their lifetime. This is of great importance as helium is a crucial ingredient in the driving of the κ-mechanism suggested for the newly observed ELM proto-WD pulsators. However, we find that the number of hydrogen shell flashes and, as a result, the hydrogen envelope mass at the beginning of

  8. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Directory of Open Access Journals (Sweden)

    Hanwell Marcus D

    2012-08-01

    Full Text Available Abstract Background The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types. Results The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology. The Avogadro application provides a rich graphical interface using dynamically loaded plugins through the library itself. The application and library can each be extended by implementing a plugin module in C++ or Python to explore different visualization techniques, build/manipulate molecular structures, and interact with other programs. We describe some example extensions, one which uses a genetic algorithm to find stable crystal structures, and one which interfaces with the PackMol program to create packed, solvated structures for molecular dynamics simulations. The 1.0 release series of Avogadro is the main focus of the results discussed here. Conclusions Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format

  9. ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M.; Fink, S.

    2011-03-07

    The Savannah River Site (SRS) is preparing Tank 5F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning. SRS personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. The conclusions from this work are: (1) With the exception of iron, the dissolution of sludge components from Tank 5F agreed with results from the actual waste demonstration performed in 2007. The fraction of iron removed from Tank 5F by chemical cleaning was significantly less than the fraction removed in the SRNL demonstrations. The likely cause of this difference is the high pH following the first oxalic acid strike. (2) Most of the sludge mass remaining in the tank is iron and nickel. (3) The remaining sludge contains approximately 26 kg of barium, 37 kg of chromium, and 37 kg of mercury. (4) Most of the radioactivity remaining in the residual material is beta emitters and {sup 90}Sr. (5) The chemical cleaning removed more than {approx} 90% of the uranium isotopes and {sup 137}Cs. (6) The chemical cleaning removed {approx} 70% of the neptunium, {approx} 83% of the {sup 90}Sr, and {approx} 21% of the {sup 60}Co. (7) The chemical cleaning removed less than 10% of the plutonium, americium, and curium isotopes. (8) The chemical cleaning removed more than 90% of the aluminium, calcium, and sodium from the tank. (9) The cleaning operations removed 61% of lithium, 88% of non-radioactive strontium, and 65% of zirconium. The {sup 90}Sr and non-radioactive strontium were

  10. Microplasmas for chemical analysis: analytical tools or research toys?

    International Nuclear Information System (INIS)

    Karanassios, Vassili

    2004-01-01

    An overview of the activities of the research groups that have been involved in fabrication, development and characterization of microplasmas for chemical analysis over the last few years is presented. Microplasmas covered include: miniature inductively coupled plasmas (ICPs); capacitively coupled plasmas (CCPs); microwave-induced plasmas (MIPs); a dielectric barrier discharge (DBD); microhollow cathode discharge (MCHD) or microstructure electrode (MSE) discharges, other microglow discharges (such as those formed between 'liquid' electrodes); microplasmas formed in micrometer-diameter capillary tubes for gas chromatography (GC) or high-performance liquid chromatography (HPLC) applications, and a stabilized capacitive plasma (SCP) for GC applications. Sample introduction into microplasmas, in particular, into a microplasma device (MPD), battery operation of a MPD and of a mini- in-torch vaporization (ITV) microsample introduction system for MPDs, and questions of microplasma portability for use on site (e.g., in the field) are also briefly addressed using examples of current research. To emphasize the significance of sample introduction into microplasmas, some previously unpublished results from the author's laboratory have also been included. And an overall assessment of the state-of-the-art of analytical microplasma research is provided

  11. Spectral identity mapping for enhanced chemical image analysis

    Science.gov (United States)

    Turner, John F., II

    2005-03-01

    Advances in spectral imaging instrumentation during the last two decades has lead to higher image fidelity, tighter spatial resolution, narrower spectral resolution, and improved signal to noise ratios. An important sub-classification of spectral imaging is chemical imaging, in which the sought-after information from the sample is its chemical composition. Consequently, chemical imaging can be thought of as a two-step process, spectral image acquisition and the subsequent processing of the spectral image data to generate chemically relevant image contrast. While chemical imaging systems that provide turnkey data acquisition are increasingly widespread, better strategies to analyze the vast datasets they produce are needed. The Generation of chemically relevant image contrast from spectral image data requires multivariate processing algorithms that can categorize spectra according to shape. Conventional chemometric techniques like inverse least squares, classical least squares, multiple linear regression, principle component regression, and multivariate curve resolution are effective for predicting the chemical composition of samples having known constituents, but are less effective when a priori information about the sample is unavailable. To address these problems, we have developed a fully automated non-parametric technique called spectral identity mapping (SIMS) that reduces the dependence of spectral image analysis on training datasets. The qualitative SIMS method provides enhanced spectral shape specificity and improved chemical image contrast. We present SIMS results of infrared spectral image data acquired from polymer coated paper substrates used in the manufacture of pressure sensitive adhesive tapes. In addition, we compare the SIMS results to results from spectral angle mapping (SAM) and cosine correlation analysis (CCA), two closely related techniques.

  12. ACTINIDE REMOVAL PROCESS SAMPLE ANALYSIS, CHEMICAL MODELING, AND FILTRATION EVALUATION

    Energy Technology Data Exchange (ETDEWEB)

    Martino, C.; Herman, D.; Pike, J.; Peters, T.

    2014-06-05

    Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.

  13. Method for fractional solid-waste sampling and chemical analysis

    DEFF Research Database (Denmark)

    Riber, Christian; Rodushkin, I.; Spliid, Henrik

    2007-01-01

    Chemical characterization of solid waste is a demanding task due to the heterogeneity of the waste. This article describes how 45 material fractions hand-sorted from Danish household waste were subsampled and prepared for chemical analysis of 61 substances. All material fractions were subject...... to repeated particle-size reduction, mixing, and mass reduction until a sufficiently small but representative sample was obtained for digestion prior to chemical analysis. The waste-fraction samples were digested according to their properties for maximum recognition of all the studied substances. By combining...... four subsampling methods and five digestion methods, paying attention to the heterogeneity and the material characteristics of the waste fractions, it was possible to determine 61 substances with low detection limits, reasonable variance, and high accuracy. For most of the substances of environmental...

  14. A spectral identity mapper for chemical image analysis.

    Science.gov (United States)

    Turner, John F; Zhang, Jing; O'Connor, Anne

    2004-11-01

    Generating chemically relevant image contrast from spectral image data requires multivariate processing algorithms that can categorize spectra according to shape. Conventional chemometric techniques like inverse least squares, classical least squares, multiple linear regression, principle component regression, and multivariate curve resolution are effective for predicting the chemical composition of samples having known constituents, but they are less effective when a priori information about the sample is unavailable. We have developed a multivariate technique called spectral identity mapping (SIM) that reduces the dependence of spectral image analysis on training datasets. The qualitative SIM method provides enhanced spectral shape specificity and improved chemical image contrast. We present SIM results of spectral image data acquired from polymer-coated paper substrates used in the manufacture of pressure sensitive adhesive tapes. In addition, we compare the SIM results to results from spectral angle mapping (SAM) and cosine correlation analysis (CCA), two closely related techniques.

  15. Predicting Automotive Interior Noise Including Wind Noise by Statistical Energy Analysis

    OpenAIRE

    Yoshio Kurosawa

    2017-01-01

    The applications of soundproof materials for reduction of high frequency automobile interior noise have been researched. This paper presents a sound pressure prediction technique including wind noise by Hybrid Statistical Energy Analysis (HSEA) in order to reduce weight of acoustic insulations. HSEA uses both analytical SEA and experimental SEA. As a result of chassis dynamo test and road test, the validity of SEA modeling was shown, and utility of the method was confirmed.

  16. Chemical and antimicrobial analysis of husk fiber aqueous extract ...

    African Journals Online (AJOL)

    Chemical and antimicrobial analysis of husk fiber aqueous extract from Cocos nucifera L. Davi Oliveira e Silva, Gabriel Rocha Martins, Antônio Jorge Ribeiro da Silva, Daniela Sales Alviano, Rodrigo Pires Nascimento, Maria Auxiliadora Coelho Kaplan, Celuta Sales Alviano ...

  17. Physico-chemical analysis and sensory evaluation of bread ...

    African Journals Online (AJOL)

    This study carried out the physico-chemical analysis and sensory evaluation of bread produced using different indigenous yeast isolates in order to offer an insight into the overall quality of the bread. Four (4) different yeast species were isolated from sweet orange, pineapple and palm wine. The yeasts were characterized ...

  18. Bark chemical analysis explains selective bark damage by rodents

    Czech Academy of Sciences Publication Activity Database

    Heroldová, Marta; Jánová, Eva; Suchomel, J.; Purchart, L.; Homolka, Miloslav

    2009-01-01

    Roč. 2, č. 2 (2009), s. 137-140 ISSN 1803-2451 R&D Projects: GA MZe QH72075 Institutional research plan: CEZ:AV0Z60930519 Keywords : bark damage * bark selection * bark chemical analysis * rowan * beech * spruce * mountain forest regeneration Subject RIV: GK - Forestry

  19. Chemical Analysis of Some Limestone Samples from the Middle Belt ...

    African Journals Online (AJOL)

    Abstract. Chemical analysis of fifteen (15) limestone samples, 13 of which were locally sourced, was carried out using gravimetric as well as flame emission and uv- visible spectroscopic methods. The range of parameters ... and some other filler applications. Keywords: Industrial, Ink, Limestone, Local Source, Spectroscopy.

  20. Chemical analysis of steel by optical emission spectrometry

    International Nuclear Information System (INIS)

    Hayakawa, M.O.; Kajita, T.; Jeszensky, G.

    1981-01-01

    The development of the chemical analysis for special steels by optical emission spectrometry direct reading method with computer, at the Siderurgica N.S. Aparecida S.A. is presented. Results are presented for the low alloy steels and high speed steel. Also, the contribution of this method to the special steel preparation is commented. (Author) [pt

  1. Comparative Analysis on Chemical Composition of Bentonite Clays ...

    African Journals Online (AJOL)

    2017-09-12

    Sep 12, 2017 ... Abdullahi and Audu. 35. Comparative Analysis on Chemical Composition of Bentonite Clays. Obtained from Ashaka and Tango Deposits in Gombe State, Nigeria. Abdullahi S.L1 and Audu A.A2. 1Kano State Polytechnic, Kano - Nigeria. 2Department of Pure and Industrial Chemistry, Bayero University Kano ...

  2. Research on Chemical Composition and Biological Properties Including Antiquorum Sensing Activity of Angelica pancicii Vandas Aerial Parts and Roots.

    Science.gov (United States)

    Mileski, Ksenija S; Trifunović, Snežana S; Ćirić, Ana D; Šakić, Željana M; Ristić, Mihailo S; Todorović, Nina M; Matevski, Vlado S; Marin, Petar D; Tešević, Vele V; Džamić, Ana M

    2017-12-20

    The essential oil, different extracts, and isolated compounds of Angelica pancicii Vandas (Apiaceae) were investigated for the first time. The GC-FID and GC-MS analyses revealed sesquiterpenoids as the main constituents of A. pancicii essential oil of aerial parts with bornyl acetate (8.08%), n-octanol (5.82%), kessane (4.26%), and β-selinene (4.26%) as the main constituents. Analysis of methanol extracts, using an HPLC-DAD/ESI-ToF-MS system, showed a total of 52 compounds in the aerial parts and 53 in the roots, indicating coumarins as the main constituents. In addition, new chromone (1) and six known furanocoumarins (2-7) were isolated from the roots and structurally elucidated by combined spectroscopic methods. The aerial part extracts exhibited higher polyphenolic contents and antioxidant activity evaluated by three radical scavenging assays. Using a microwell dilution method, the strongest antibacterial activity profiles were determined for ethanol and methanol root extracts (minimum bactericidal concentrations (MBCs) = 0.25-3.00 mg/mL), which were comparable to the activity of streptomycin (MBCs = 0.34-1.24 mg/mL), while the strongest antibacterial compound of A. pancicii was oxypeucedanin hydrate (MBCs = 0.50-8.00 mg/mL). Antifungal potential was in moderate extent, and the highest activity was obtained for root methanol extract (minimum fungicidal concentrations (MFCs) = 4.00-14.00 mg/mL). Tested sub-minimum inhibitory concentrations (subMICs) of the extracts and isolated compounds inhibited selected Pseudomonas aeruginosa PAO1 virulence determinants. The most reduced growth of P. aeruginosa colony was in the presence of isolated oxypeucedanin. Ethanol (17.36-46.98%) and methanol (34.54-52.43%) root extracts showed higher anti-biofilm activity compared to streptomycin (49.40-88.36%) and ampicillin (56.46-92.16%).

  3. Endocrine-disrupting Chemicals: Review of Toxicological Mechanisms Using Molecular Pathway Analysis

    Science.gov (United States)

    Yang, Oneyeol; Kim, Hye Lim; Weon, Jong-Il; Seo, Young Rok

    2015-01-01

    Endocrine disruptors are known to cause harmful effects to human through various exposure routes. These chemicals mainly appear to interfere with the endocrine or hormone systems. As importantly, numerous studies have demonstrated that the accumulation of endocrine disruptors can induce fatal disorders including obesity and cancer. Using diverse biological tools, the potential molecular mechanisms related with these diseases by exposure of endocrine disruptors. Recently, pathway analysis, a bioinformatics tool, is being widely used to predict the potential mechanism or biological network of certain chemicals. In this review, we initially summarize the major molecular mechanisms involved in the induction of the above mentioned diseases by endocrine disruptors. Additionally, we provide the potential markers and signaling mechanisms discovered via pathway analysis under exposure to representative endocrine disruptors, bisphenol, diethylhexylphthalate, and nonylphenol. The review emphasizes the importance of pathway analysis using bioinformatics to finding the specific mechanisms of toxic chemicals, including endocrine disruptors. PMID:25853100

  4. A structural design and analysis of a piping system including seismic load

    International Nuclear Information System (INIS)

    Hsieh, B.J.; Kot, C.A.

    1991-01-01

    The structural design/analysis of a piping system at a nuclear fuel facility is used to investigate some aspects of current design procedures. Specifically the effect of using various stress measures including ASME Boiler ampersand Pressure Vessel (B ampersand PV) Code formulas is evaluated. It is found that large differences in local maximum stress values may be calculated depending on the stress criterion used. However, when the global stress maximum for the entire system are compared the differences are much smaller, being nevertheless, for some load combinations, of the order of 50 percent. The effect of using an Equivalent Static Method (ESM) analysis is also evaluated by comparing its results with those obtained from a Response Spectrum Method (RSM) analysis with the modal responses combined by using the absolute summation (ABS), by using the square root of the squares (SRSS), and by using the 10 percent method (10PC). It is shown that for a spectrum amplification factor (equivalent static coefficient greater than unity) of at least 1.32 must be used in the current application of the ESM analysis in order to obtain results which are conservative in all aspects relative to an RSM analysis based on ABS. However, it appears that an adequate design would be obtained from the ESM approach even without the use of a spectrum amplification factor. 7 refs., 3 figs., 3 tabs

  5. 'Including health in systems responsible for urban planning': a realist policy analysis research programme.

    Science.gov (United States)

    Harris, Patrick; Friel, Sharon; Wilson, Andrew

    2015-07-23

    Realist methods are increasingly being used to investigate complex public health problems. Despite the extensive evidence base clarifying the built environment as a determinant of health, there is limited knowledge about how and why land-use planning systems take on health concerns. Further, the body of research related to the wider determinants of health suffers from not using political science knowledge to understand how to influence health policy development and systems. This 4-year funded programme of research investigates how the land-use planning system in New South Wales, Australia, incorporates health and health equity at multiple levels. The programme uses multiple qualitative methods to develop up to 15 case studies of different activities of the New South Wales land-use planning system. Comparison cases from other jurisdictions will be included where possible and useful. Data collection includes publicly available documentation and purposively sampled stakeholder interviews and focus groups of up to 100 participants across the cases. The units of analysis in each case are institutional structures (rules and mandates constraining and enabling actors), actors (the stakeholders, organisations and networks involved, including health-focused agencies), and ideas (policy content, information, and framing). Data analysis will focus on and develop propositions concerning the mechanisms and conditions within and across each case leading to inclusion or non-inclusion of health. Data will be refined using additional political science and sociological theory. Qualitative comparative analysis will compare cases to develop policy-relevant propositions about the necessary and sufficient conditions needed to include health issues. Ethics has been approved by Sydney University Human Research Ethics Committee (2014/802 and 2015/178). Given the nature of this research we will incorporate stakeholders, often as collaborators, throughout. We outline our research translation

  6. The contact-temperature ignition (CTI) criteria for propagating chemical reactions including the effect of moisture and application to Hanford waste

    International Nuclear Information System (INIS)

    Cash, R.J.

    1995-01-01

    To assure the continued absence of uncontrolled condensed-phase chemical reactions in connection with the Hanford waste materials, efforts have been underway including both theoretical and experimental investigations to clarify the requirements for such reactions. This document defines the differences and requirements for homogeneous runaway and propagating chemical reactions incuding a discussion of general contact-temperature ignition (CTI) condition for propagating reactions that include the effect of moisture. The CTI condition implies that the contact temperature or interface temperature between reacted and unreacted materials must exceed the ignition temperature and is compared to experimental data including both synthetic ferrocyanide and surrogate organic materials. In all cases, the occurrences of ignition accompanied by self-propagating reactions are consistent with the theoretical anticipations of the CTI condition

  7. Chemical analysis of plasma-assisted antimicrobial treatment on cotton

    Science.gov (United States)

    Kan, C. W.; Lam, Y. L.; Yuen, C. W. M.; Luximon, A.; Lau, K. W.; Chen, K. S.

    2013-06-01

    This paper explores the use of plasma treatment as a pretreatment process to assist the application of antimicrobial process on cotton fabric with good functional effect. In this paper, antimicrobial finishing agent, Microfresh Liquid Formulation 9200-200 (MF), and a binder (polyurethane dispersion, Microban Liquid Formulation R10800-0, MB) will be used for treating the cotton fabric for improving the antimicrobial property and pre-treatment of cotton fabric by plasma under atmospheric pressure will be employed to improve loading of chemical agents. The chemical analysis of the treated cotton fabric will be conducted by Fourier transform Infrared Spectroscopy.

  8. Isogeometric analysis of free-form Timoshenko curved beams including the nonlinear effects of large deformations

    Science.gov (United States)

    Hosseini, Seyed Farhad; Hashemian, Ali; Moetakef-Imani, Behnam; Hadidimoud, Saied

    2018-03-01

    In the present paper, the isogeometric analysis (IGA) of free-form planar curved beams is formulated based on the nonlinear Timoshenko beam theory to investigate the large deformation of beams with variable curvature. Based on the isoparametric concept, the shape functions of the field variables (displacement and rotation) in a finite element analysis are considered to be the same as the non-uniform rational basis spline (NURBS) basis functions defining the geometry. The validity of the presented formulation is tested in five case studies covering a wide range of engineering curved structures including from straight and constant curvature to variable curvature beams. The nonlinear deformation results obtained by the presented method are compared to well-established benchmark examples and also compared to the results of linear and nonlinear finite element analyses. As the nonlinear load-deflection behavior of Timoshenko beams is the main topic of this article, the results strongly show the applicability of the IGA method to the large deformation analysis of free-form curved beams. Finally, it is interesting to notice that, until very recently, the large deformations analysis of free-form Timoshenko curved beams has not been considered in IGA by researchers.

  9. A tool to include gamma analysis software into a quality assurance program.

    Science.gov (United States)

    Agnew, Christina E; McGarry, Conor K

    2016-03-01

    To provide a tool to enable gamma analysis software algorithms to be included in a quality assurance (QA) program. Four image sets were created comprising two geometric images to independently test the distance to agreement (DTA) and dose difference (DD) elements of the gamma algorithm, a clinical step and shoot IMRT field and a clinical VMAT arc. The images were analysed using global and local gamma analysis with 2 in-house and 8 commercially available software encompassing 15 software versions. The effect of image resolution on gamma pass rates was also investigated. All but one software accurately calculated the gamma passing rate for the geometric images. Variation in global gamma passing rates of 1% at 3%/3mm and over 2% at 1%/1mm was measured between software and software versions with analysis of appropriately sampled images. This study provides a suite of test images and the gamma pass rates achieved for a selection of commercially available software. This image suite will enable validation of gamma analysis software within a QA program and provide a frame of reference by which to compare results reported in the literature from various manufacturers and software versions. Copyright © 2015. Published by Elsevier Ireland Ltd.

  10. Analysis of general and specific combining abilities of popcorn populations, including selfed parents

    Directory of Open Access Journals (Sweden)

    José Marcelo Soriano Viana

    2003-12-01

    Full Text Available Estimation of general and specific combining ability effects in a diallel analysis of cross-pollinating populations, including the selfed parents, is presented in this work. The restrictions considered satisfy the parametric values of the GCA and SCA effects. The method is extended to self-pollinating populations (suitable for other species, without the selfed parents. The analysis of changes in population means due to inbreeding (sensitivity to inbreeding also permits to assess the predominant direction of dominance deviations and the relative genetic variability in each parent population. The methodology was used to select popcorn populations for intra- and inter-population breeding programs and for hybrid production, developed at the Federal University of Viçosa, MG, Brazil. Two yellow pearl grain popcorn populations were selected.

  11. Slideline verification for multilayer pressure vessel and piping analysis including tangential motion

    International Nuclear Information System (INIS)

    Van Gulick, L.A.

    1984-01-01

    Nonlinear finite element method (FEM) computer codes with slideline algorithm implementations should be useful for the analysis of prestressed multilayer pressure vessels and piping. This paper presents closed form solutions including the effects of tangential motion useful for verifying slideline implementations for this purpose. The solutions describe stresses and displacements of a long internally pressurized elastic-plastic cylinder initially separated from an elastic outer cylinder by a uniform gap. Comparison of closed form and FEM results evaluates the usefulness of the closed form solution and the validity of the sideline implementation used

  12. Analysis Technique for Exhaust Gas Including PFCs from Microelectronics Manufacturing Processes

    Science.gov (United States)

    Tomita, Nobuyasu; Isaki, Ryuichiro

    In the manufacturing processes of Semiconductor and the Liquid Crystal Display (LCD), Perfluorocompounds (PFCs), Sulfurhexafluoride (SF6) and Nitrogenfluoride (NF3), which have high Green house effect,are used in large quantities. As emission reduction of these gases, the following countermeasures are taken. 1. Opimization of PFCs usage 2. Utilization of alternative gas 3. Instllation of Scrubber for exhaust gas treatment To inspect the effect of countermeasure that are introduced for these PFCs emission reduction, it is necessary to analyze PFCs in exhaust gas. In this report, we will discribe about analysis technique for exhaust gas including PFCs from microelectornics manufacturing processes.

  13. Analysis of initial events in radiation-induced lymphomagenesis. Investigation of chromosome aberration including translocations

    International Nuclear Information System (INIS)

    Chen Ying

    1995-01-01

    To investigate the contribution of chromosome aberrations in radiation-induced lymphomagenesis, chromosome G-banding analysis of the lymphoma cells (8 groups and 34 kinds of cells), of which each group was derived from a single donor by intra-thymic injection of a limited number of prelymphoma cells, was performed. Many numerical and structural aberrations were observed in the donor-derived T cell lymphomas. Common aberrations including translocations were found almost in the lymphomas of all groups. Translocations between chromosomes 11 and 12, 12 and 15, 7 and 10, 1 and 13, 6 and X were found in D, E, F, G, H, groups, respectively. There were also common aberrations such as trisomy 15 in A and F groups. These results indicate that chromosome aberrations including translocations may be important candidates of initiating events in radiation-induced lymphomagenesis

  14. Steady-state analysis of activated sludge processes with a settler model including sludge compression.

    Science.gov (United States)

    Diehl, S; Zambrano, J; Carlsson, B

    2016-01-01

    A reduced model of a completely stirred-tank bioreactor coupled to a settling tank with recycle is analyzed in its steady states. In the reactor, the concentrations of one dominant particulate biomass and one soluble substrate component are modelled. While the biomass decay rate is assumed to be constant, growth kinetics can depend on both substrate and biomass concentrations, and optionally model substrate inhibition. Compressive and hindered settling phenomena are included using the Bürger-Diehl settler model, which consists of a partial differential equation. Steady-state solutions of this partial differential equation are obtained from an ordinary differential equation, making steady-state analysis of the entire plant difficult. A key result showing that the ordinary differential equation can be replaced with an approximate algebraic equation simplifies model analysis. This algebraic equation takes the location of the sludge-blanket during normal operation into account, allowing for the limiting flux capacity caused by compressive settling to easily be included in the steady-state mass balance equations for the entire plant system. This novel approach grants the possibility of more realistic solutions than other previously published reduced models, comprised of yet simpler settler assumptions. The steady-state concentrations, solids residence time, and the wastage flow ratio are functions of the recycle ratio. Solutions are shown for various growth kinetics; with different values of biomass decay rate, influent volumetric flow, and substrate concentration. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  16. A multimethod analysis of shared decision-making in hospice interdisciplinary team meetings including family caregivers.

    Science.gov (United States)

    Washington, Karla T; Oliver, Debra Parker; Gage, L Ashley; Albright, David L; Demiris, George

    2016-03-01

    Much of the existing research on shared decision-making in hospice and palliative care focuses on the provider-patient dyad; little is known about shared decision-making that is inclusive of family members of patients with advanced disease. We sought to describe shared decision-making as it occurred in hospice interdisciplinary team meetings that included family caregivers as participants using video-conferencing technology. We conducted a multimethod study in which we used content and thematic analysis techniques to analyze video-recordings of hospice interdisciplinary team meetings (n = 100), individual interviews of family caregivers (n = 73) and hospice staff members (n = 78), and research field notes. Participants in the original studies from which data for this analysis were drawn were hospice family caregivers and staff members employed by one of five different community-based hospice agencies located in the Midwestern United States. Shared decision-making occurred infrequently in hospice interdisciplinary team meetings that included family caregivers. Barriers to shared decision-making included time constraints, communication skill deficits, unaddressed emotional needs, staff absences, and unclear role expectations. The hospice philosophy of care, current trends in healthcare delivery, the interdisciplinary nature of hospice teams, and the designation of a team leader/facilitator supported shared decision-making. The involvement of family caregivers in hospice interdisciplinary team meetings using video-conferencing technology creates a useful platform for shared decision-making; however, steps must be taken to transform family caregivers from meeting attendees to shared decision-makers. © The Author(s) 2015.

  17. Diversity of Pseudomonas Genomes, Including Populus-Associated Isolates, as Revealed by Comparative Genome Analysis.

    Science.gov (United States)

    Jun, Se-Ran; Wassenaar, Trudy M; Nookaew, Intawat; Hauser, Loren; Wanchai, Visanu; Land, Miriam; Timm, Collin M; Lu, Tse-Yuan S; Schadt, Christopher W; Doktycz, Mitchel J; Pelletier, Dale A; Ussery, David W

    2016-01-01

    The Pseudomonas genus contains a metabolically versatile group of organisms that are known to occupy numerous ecological niches, including the rhizosphere and endosphere of many plants. Their diversity influences the phylogenetic diversity and heterogeneity of these communities. On the basis of average amino acid identity, comparative genome analysis of >1,000 Pseudomonas genomes, including 21 Pseudomonas strains isolated from the roots of native Populus deltoides (eastern cottonwood) trees resulted in consistent and robust genomic clusters with phylogenetic homogeneity. All Pseudomonas aeruginosa genomes clustered together, and these were clearly distinct from other Pseudomonas species groups on the basis of pangenome and core genome analyses. In contrast, the genomes of Pseudomonas fluorescens were organized into 20 distinct genomic clusters, representing enormous diversity and heterogeneity. Most of our 21 Populus-associated isolates formed three distinct subgroups within the major P. fluorescens group, supported by pathway profile analysis, while two isolates were more closely related to Pseudomonas chlororaphis and Pseudomonas putida. Genes specific to Populus-associated subgroups were identified. Genes specific to subgroup 1 include several sensory systems that act in two-component signal transduction, a TonB-dependent receptor, and a phosphorelay sensor. Genes specific to subgroup 2 contain hypothetical genes, and genes specific to subgroup 3 were annotated with hydrolase activity. This study justifies the need to sequence multiple isolates, especially from P. fluorescens, which displays the most genetic variation, in order to study functional capabilities from a pangenomic perspective. This information will prove useful when choosing Pseudomonas strains for use to promote growth and increase disease resistance in plants. Copyright © 2015 Jun et al.

  18. Continuous-flow centrifugation to collect suspended sediment for chemical analysis

    Science.gov (United States)

    Conn, Kathleen E.; Dinicola, Richard S.; Black, Robert W.; Cox, Stephen E.; Sheibley, Richard W.; Foreman, James R.; Senter, Craig A.; Peterson, Norman T.

    2016-12-22

    Recent advances in suspended-sediment monitoring tools and surrogate technologies have greatly improved the ability to quantify suspended-sediment concentrations and to estimate daily, seasonal, and annual suspended-sediment fluxes from rivers to coastal waters. However, little is known about the chemical composition of suspended sediment, and how it may vary spatially between water bodies and temporally within a single system owing to climate, seasonality, land use, and other natural and anthropogenic drivers. Many water-quality contaminants, such as organic and inorganic chemicals, nutrients, and pathogens, preferentially partition in sediment rather than water. Suspended sediment-bound chemical concentrations may be undetected during analysis of unfiltered water samples, owing to small water sample volumes and analytical limitations. Quantification of suspended sediment‑bound chemical concentrations is needed to improve estimates of total chemical concentrations, chemical fluxes, and exposure levels of aquatic organisms and humans in receiving environments. Despite these needs, few studies or monitoring programs measure the chemical composition of suspended sediment, largely owing to the difficulty in consistently obtaining samples of sufficient quality and quantity for laboratory analysis.A field protocol is described here utilizing continuous‑flow centrifugation for the collection of suspended sediment for chemical analysis. The centrifuge used for development of this method is small, lightweight, and portable for the field applications described in this protocol. Project scoping considerations, deployment of equipment and system layout options, and results from various field and laboratory quality control experiments are described. The testing confirmed the applicability of the protocol for the determination of many inorganic and organic chemicals sorbed on suspended sediment, including metals, pesticides, polycyclic aromatic hydrocarbons, and

  19. Gas analysis during the chemical vapor deposition of carbon

    International Nuclear Information System (INIS)

    Lieberman, M.L.; Noles, G.T.

    1973-01-01

    Gas chromatographic analyses were performed during the chemical vapor deposition of carbon in both isothermal and thermal gradient systems. Such data offer insight into the gas phase processes which occur during deposition and the interrelations which exist between gas composition, deposition rate, and resultant structure of the deposit. The results support a carbon CVD model presented previously. The application of chromatographic analysis to research, development, and full-scale facilities is shown. (U.S.)

  20. Adlayers of dimannoside thiols on gold: surface chemical analysis.

    Science.gov (United States)

    Dietrich, Paul M; Horlacher, Tim; Girard-Lauriault, Pierre-Luc; Gross, Thomas; Lippitz, Andreas; Min, Hyegeun; Wirth, Thomas; Castelli, Riccardo; Seeberger, Peter H; Unger, Wolfgang E S

    2011-04-19

    Carbohydrate films on gold based on dimannoside thiols (DMT) were prepared, and a complementary surface chemical analysis was performed in detail by X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS), near-edge X-ray absorption fine structure (NEXAFS), FT-IR, and contact angle measurements in order to verify formation of ω-carbohydrate-functionalized alkylthiol films. XPS (C 1s, O 1s, and S 2p) reveals information on carbohydrate specific alkoxy (C-O) and acetal moieties (O-C-O) as well as thiolate species attached to gold. Angle-resolved synchrotron XPS was used for chemical speciation at ultimate surface sensitivity. Angle-resolved XPS analysis suggests the presence of an excess top layer composed of unbound sulfur components combined with alkyl moieties. Further support for DMT attachment on Au is given by ToF-SIMS and FT-IR analysis. Carbon and oxygen K-edge NEXAFS spectra were interpreted by applying the building block model supported by comparison to data of 1-undecanethiol, poly(vinyl alcohol), and polyoxymethylene. No linear dichroism effect was observed in the angle-resolved C K-edge NEXAFS. © 2011 American Chemical Society

  1. Cluster analysis to evaluate stable chemical elements and physical-chemical parameters behavior on uranium mining waste

    International Nuclear Information System (INIS)

    Pereira, Wagner de Souza; Py Junior, Delcy de Azevedo; Goncalves, Simone; Kelecom, Alphonse; Morais, Gustavo Ferrari de; Campelo, Emanuele Lazzaretti Cordova; Dores, Luis Augusto de Carvalho Bresser

    2011-01-01

    The Ore Treating Unit (UTM, in portuguese) is a deactivated uranium mine. A cluster analysis was used to evaluate the behavior of stable chemical elements and physical-chemical parameters in their effluents. The utilization of the cluster analysis proved itself effective in the assessment, allowing the identification of groups of chemical elements, physical-chemical parameters and their joint analysis (elements and parameters). As a result we may assert, based on data analysis, that there is a strong link between calcium and magnesium and between aluminum and rare-earth oxides on UTM's effluents. Sulphate was also identified as strongly linked to total and dissolved solids, and those to electrical conductivity. There were other associations, but not so strongly linked. Further gathering, to seasonal evaluation, are required in order to confirm those analysis. Additional statistical analysis (factor analysis) must be used to try to identify the origin of the identified groups on this analysis. (author)

  2. The dilemma in prioritizing chemicals for environmental analysis: known versus unknown hazards.

    Science.gov (United States)

    Anna, Sobek; Sofia, Bejgarn; Christina, Rudén; Magnus, Breitholtz

    2016-08-10

    A major challenge for society is to manage the risks posed by the many chemicals continuously emitted to the environment. All chemicals in production and use cannot be monitored and science-based strategies for prioritization are essential. In this study we review available data to investigate which substances are included in environmental monitoring programs and published research studies reporting analyses of chemicals in Baltic Sea fish between 2000 and 2012. Our aim is to contribute to the discussion of priority settings in environmental chemical monitoring and research, which is closely linked to chemical management. In total, 105 different substances or substance groups were analyzed in Baltic Sea fish. Polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) were the most studied substances or substance groups. The majority, 87%, of all analyses comprised 20% of the substances or substance groups, whereas 46 substance groups (44%) were analyzed only once. Almost three quarters of all analyses regarded a POP-substance (persistent organic pollutant). These results demonstrate that the majority of analyses on environmental contaminants in Baltic Sea fish concern a small number of already regulated chemicals. Legacy pollutants such as POPs pose a high risk to the Baltic Sea due to their hazardous properties. Yet, there may be a risk that prioritizations for chemical analyses are biased based on the knowns of the past. Such biases may lead to society failing in identifying risks posed by yet unknown hazardous chemicals. Alternative and complementary ways to identify priority chemicals are needed. More transparent communication between risk assessments performed as part of the risk assessment process within REACH and monitoring programs, and information on chemicals contained in consumer articles, would offer ways to identify chemicals for environmental analysis.

  3. Methods of remote surface chemical analysis for asteroid missions

    International Nuclear Information System (INIS)

    Sagdeev, R.Z.; Managadze, G.G.; Shutyaev, I.Yu.; Timofeev, P.P.; Szegoe, K.

    1984-06-01

    Different remote sensing methods are discussed which can be applied to investigate the chemical composition of minor bodies of the Solar System. The secondary-ion method, remote laser mass-analysis and electron beam induced X-ray emission analysis are treated in detail. Relative advantages of these techniques are analyzed. The physical limitation of the methods: effects of solar magnetic field and solar wind on the secondary-ion and laser methods and the effect of electrostatic potential of the space apparatus on the ion and electron beam methods are described. First laboratory results of remote laser method are given. (D.Gy.)

  4. Earthquake analysis of structures including structure-soil interaction by a substructure method

    International Nuclear Information System (INIS)

    Chopra, A.K.; Guttierrez, J.A.

    1977-01-01

    A general substructure method for analysis of response of nuclear power plant structures to earthquake ground motion, including the effects of structure-soil interaction, is summarized. The method is applicable to complex structures idealized as finite element systems and the soil region treated as either a continuum, for example as a viscoelastic halfspace, or idealized as a finite element system. The halfspace idealization permits reliable analysis for sites where essentially similar soils extend to large depths and there is no rigid boundary such as soil-rock interface. For sites where layers of soft soil are underlain by rock at shallow depth, finite element idealization of the soil region is appropriate; in this case, the direct and substructure methods would lead to equivalent results but the latter provides the better alternative. Treating the free field motion directly as the earthquake input in the substructure eliminates the deconvolution calculations and the related assumption-regarding type and direction of earthquake waves-required in the direct method. (Auth.)

  5. Global analysis of Solar neutrino oscillation evidence including SNO and implications for Borexino

    CERN Document Server

    Aliani, P; Picariello, M; Torrente-Lujan, E

    2002-01-01

    An updated analysis of all available neutrino oscillation evidence in Solar experiments including the latest $SNO$ data is presented. Predictions for total rates and day-night asymmetry in Borexino are calculated. Our analysis features the use of exhaustive computation of the neutrino oscillation probabilities and the use of an improved statistical $\\chi^2$ minimization. In the framework of two neutrino oscillations we conclude that the best fit to the data is obtained in the LMA region with parameters $(\\Delta m^2, \\tan^2\\theta) = (5.2 \\times 10^{-5} \\eV^2, 0.47)$, ($\\chi^2_{min}/n=0.82$, $n=38$ degrees of freedom). Although less favored, solutions in the LOW and VAC regions are still possible with a reasonable statistical significance. The best possible solution in the SMA region gets as maximum a statistical significance as low as $\\sim 3%$. We study the implications of these results for the prospects of Borexino and the possibility of discriminating between the different solutions. The expected normalized...

  6. Ca analysis: an Excel based program for the analysis of intracellular calcium transients including multiple, simultaneous regression analysis.

    Science.gov (United States)

    Greensmith, David J

    2014-01-01

    Here I present an Excel based program for the analysis of intracellular Ca transients recorded using fluorescent indicators. The program can perform all the necessary steps which convert recorded raw voltage changes into meaningful physiological information. The program performs two fundamental processes. (1) It can prepare the raw signal by several methods. (2) It can then be used to analyze the prepared data to provide information such as absolute intracellular Ca levels. Also, the rates of change of Ca can be measured using multiple, simultaneous regression analysis. I demonstrate that this program performs equally well as commercially available software, but has numerous advantages, namely creating a simplified, self-contained analysis workflow. Copyright © 2013 The Author. Published by Elsevier Ireland Ltd.. All rights reserved.

  7. Multivariate Analysis of Multiple Datasets: a Practical Guide for Chemical Ecology.

    Science.gov (United States)

    Hervé, Maxime R; Nicolè, Florence; Lê Cao, Kim-Anh

    2018-03-01

    Chemical ecology has strong links with metabolomics, the large-scale study of all metabolites detectable in a biological sample. Consequently, chemical ecologists are often challenged by the statistical analyses of such large datasets. This holds especially true when the purpose is to integrate multiple datasets to obtain a holistic view and a better understanding of a biological system under study. The present article provides a comprehensive resource to analyze such complex datasets using multivariate methods. It starts from the necessary pre-treatment of data including data transformations and distance calculations, to the application of both gold standard and novel multivariate methods for the integration of different omics data. We illustrate the process of analysis along with detailed results interpretations for six issues representative of the different types of biological questions encountered by chemical ecologists. We provide the necessary knowledge and tools with reproducible R codes and chemical-ecological datasets to practice and teach multivariate methods.

  8. Use of cold neutron sources in chemical analysis

    International Nuclear Information System (INIS)

    Zeisler, R.

    1989-01-01

    Modern chemical analysis is concerned with more than determining elemental composition. Needed is the ability to obtain information about the spatial distribution, chemical form, structure, etc., of the elements in investigated materials. Nuclear techniques can play an expanded role in the understanding of the structure and composition of materials. During the past decade, a number of research reactors have installed highly efficient neutron guides with cold neutron sources that are attractive for analytical chemistry uses. Neutron capture prompt gamma activation analysis (PGAA) and neutron depth profiling (NDP) are already established analytical techniques that will greatly benefit from these installations. The guides result in higher neutron fluxes in the sample position as well as increased reaction rates due to the lower energy neutron spectrum. Simultaneously, the background is significantly lower than in today's PGAA and NDP instruments. These factors will lead to lower detection limits and better resolution power of cold neutron beam instruments. The possibility of focusing cold neutron beams may further enhance the sensitivity of chemical assays. Initial applications of parallel and focused beams of cold neutrons in PGAA have demonstrated these advantages

  9. Pretreatment and integrated analysis of spectral data reveal seaweed similarities based on chemical diversity.

    Science.gov (United States)

    Wei, Feifei; Ito, Kengo; Sakata, Kenji; Date, Yasuhiro; Kikuchi, Jun

    2015-03-03

    Extracting useful information from high dimensionality and large data sets is a major challenge for data-driven approaches. The present study was aimed at developing novel integrated analytical strategies for comprehensively characterizing seaweed similarities based on chemical diversity. The chemical compositions of 107 seaweed and 2 seagrass samples were analyzed using multiple techniques, including Fourier transform infrared (FT-IR) and solid- and solution-state nuclear magnetic resonance (NMR) spectroscopy, thermogravimetry-differential thermal analysis (TG-DTA), inductively coupled plasma-optical emission spectrometry (ICP-OES), CHNS/O total elemental analysis, and isotope ratio mass spectrometry (IR-MS). The spectral data were preprocessed using non-negative matrix factorization (NMF) and NMF combined with multivariate curve resolution-alternating least-squares (MCR-ALS) methods in order to separate individual component information from the overlapping and/or broad spectral peaks. Integrated analysis of the preprocessed chemical data demonstrated distinct discrimination of differential seaweed species. Further network analysis revealed a close correlation between the heavy metal elements and characteristic components of brown algae, such as cellulose, alginic acid, and sulfated mucopolysaccharides, providing a componential basis for its metal-sorbing potential. These results suggest that this integrated analytical strategy is useful for extracting and identifying the chemical characteristics of diverse seaweeds based on large chemical data sets, particularly complicated overlapping spectral data.

  10. Analysis of chemical composition of high viscous oils

    Directory of Open Access Journals (Sweden)

    Irina Germanovna Yashchenko

    2014-07-01

    Full Text Available The spatial distribution of viscous oils which are considered as an important reserve for oil-production in future were studied on base of information from global database on oil physical and chemical properties. Changes in chemical composition of viscous oils in different basins and continents were analyzed as well. It is shown, on average, viscous oils are sulfur-bearing, low paraffin, highly resinous oils with an average content of asphaltenes and low content of the fraction boiling at 200 C. Study results of viscous oils peculiarities of Canada, Russia and Venezuela are given. The analysis results can be used to determine the optimal layouts and conditions of oil transportation, to improve the search methods of geochemical exploration, and to solve other problems in the oil chemistry.

  11. Earthquake analysis of structures including structure-soil interaction by a substructure method

    International Nuclear Information System (INIS)

    Chopra, A.K.; Guttierrez, J.A.

    1977-01-01

    A general substructure method for analysis of response of nuclear power plant structures to earthquake ground motion, including the effects of structure-soil interaction, is summarized. The method is applicable to complex structures idealized as finite element systems and the soil region treated as either a continuum, for example as a viscoelastic halfspace, or idealized as a finite element system. The halfspace idealization permits reliable analysis for sites where essentially similar soils extend to large depths and there is no rigid boundary such as soil-rock interface. For sites where layers of soft soil are underlain by rock at shallow depth, finite element idealization of the soil region is appropriate; in this case, the direct and substructure methods would lead to equivalent results but the latter provides the better alternative. Treating the free field motion directly as the earthquake input in the substructure method eliminates the deconvolution calculations and the related assumption -regarding type and direction of earthquake waves- required in the direct method. The substructure method is computationally efficient because the two substructures-the structure and the soil region- are analyzed separately; and, more important, it permits taking advantage of the important feature that response to earthquake ground motion is essentially contained in the lower few natural modes of vibration of the structure on fixed base. For sites where essentially similar soils extend to large depths and there is no obvious rigid boundary such as a soil-rock interface, numerical results for earthquake response of a nuclear reactor structure are presented to demonstrate that the commonly used finite element method may lead to unacceptable errors; but the substructure method leads to reliable results

  12. Piping failure analysis for the Korean nuclear piping including the effect of in-service inspection

    Energy Technology Data Exchange (ETDEWEB)

    Choi, S.Y. [Korea Atomic Energy Research Inst.(KAERI), Daejeon (Korea); Choi, Y.H. [Korea Inst. of Nuclear Safety(KINS), Daejeon (Korea)

    2004-07-01

    The purposes of this paper are to perform piping failure analysis for the failed safety class piping in Korean nuclear power plants(NPPs) and evaluate the effect of an in-service inspection(ISI) on the piping failure probability. For data collection, a database for piping failure events was constructed with 135 data fields including population data, event data, and service history data. A total of 6 kinds of events with 25 failure cases up to June 30, 2003 were identified from Korean NPPs. The failed systems were main feedwater system, CVCS, primary sampling system, essential service water system, and CANDU purification system. Piping failure analyses such as evaluation of the impact on nuclear safety and piping integrity and the root cause analysis were performed and the piping failure frequencies for the failed piping were calculated by using population data. The result showed that although the integrity was not maintained in the failed piping, the safety of the plants was maintained for all the events. And the root causes of the events were analyzed as FAC, vibration, thermal fatigue, corrosion, and/or an improper weld joint. The piping failure frequencies ranged from 6.08E-5/Cr-Yr to 1.15E-3/Cr-Yr for the events. According to the ASME Code sec. XI requirements, the small bore piping less than the nominal diameter of 4 inch is exempt from ISI. There, however, were many piping failures reported in the small bore piping. The effect of ISI considering the pipe size on the piping failure probability was investigated by using the Win-PRAISE program based on probabilistic fracture mechanics. The results showed that there is no significant difference between the small and large bore piping from the viewpoint of the ISI effect on the piping failure probability. It means that ISI for a small bore piping is recommended as well as the large bore piping. (orig.)

  13. Performance analysis of the MHD-steam combined cycle, including the influence of cost

    Energy Technology Data Exchange (ETDEWEB)

    Berry, G. F.; Dennis, C. B.

    1980-08-01

    The MHD Systems group of the ANL Engineering Division is conducting overall system studies, utilizing the computer simulation code that has been developed at ANL. This analytical investigation is exploring a range of possible performance variables, in order to determine the sensitivity of a specific plant design to variation in key system parameters and, ultimately, to establish probable system performance limits. The comprehensive computer code that has been developed for this task will analyze and simulate an MHD power plant for any number of different configurations, and will hold constraints automatically while conducting either sensitivity studies or optimization. A summary of a sensitivity analysis conducted for a combined cycle, MHD-steam power plant is presented. The influence of several of the more important systems parameters were investigated in a systematic fashion, and the results are presented in graphical form. The report is divided into four sections. Following the introduction, the second section describes in detail the results of a validation study conducted to insure that the code is functioning correctly. The third section includes a description of the ANL cost algorithm and a detailed comparison between the ANL cost results and published OCMHD cost information. it is further demonstrated in this section that good agreement is obtained for the calculated cost of electricity. The fourth section is a sensitivity study and optimization for a specific OCMHD configuration over several key plant parameters.

  14. Information management for global environmental change, including the Carbon Dioxide Information Analysis Center

    Energy Technology Data Exchange (ETDEWEB)

    Stoss, F.W. [Oak Ridge National Lab., TN (United States). Carbon Dioxide Information Analysis Center

    1994-06-01

    The issue of global change is international in scope. A body of international organizations oversees the worldwide coordination of research and policy initiatives. In the US the National Science and Technology Council (NSTC) was established in November of 1993 to provide coordination of science, space, and technology policies throughout the federal government. NSTC is organized into nine proposed committees. The Committee on Environmental and Natural Resources (CERN) oversees the US Department of Energy`s Global Change Research Program (USGCRP). As part of the USGCRP, the US Department of Energy`s Global Change Research Program aims to improve the understanding of Earth systems and to strengthen the scientific basis for the evaluation of policy and government action in response to potential global environmental changes. This paper examines the information and data management roles of several international and national programs, including Oak Ridge National Laboratory`s (ORNL`s) global change information programs. An emphasis will be placed on the Carbon Dioxide Information Analysis Center (CDIAC), which also serves as the World Data Center-A for Atmospheric Trace Gases.

  15. Comparative life cycle assessment of wastewater treatment in Denmark including sensitivity and uncertainty analysis

    DEFF Research Database (Denmark)

    Niero, Monia; Pizzol, Massimo; Gundorph Bruun, Henrik

    2014-01-01

    in a comparative LCA of four types of WWTPs, representative of mainstream treatment options in Denmark. The four plant types differ regarding size and treatment technology: aerobic versus anaerobic, chemical vs. combined chemical and biological. Trade-offs in their environmental performance were identified......Wastewater treatment has nowadays multiple functions and produces both clean effluents and sludge, which is increasingly seen as a resource rather than a waste product. Technological as well as management choices influence the performance of wastewater treatment plants (WWTPs) on the multiple...... considering system expansion to model the avoided impacts achievable in different end-of-life scenarios for sludge: combustion with energy production versus agricultural application. To account for the variability in quality of effluents and sludge, and to address the related uncertainties, Monte Carlo...

  16. Determination of air pollutants by nuclear chemical analysis

    International Nuclear Information System (INIS)

    Lesny, J.; Toelgyessy, J.

    1975-01-01

    Nuclear analytical methods are discussed with a view to their applicability in the determination of air pollutants. It is shown that some methods (use of radioactive kryptonates in automatic analyzers, application of activation analysis, X-ray fluorescence methods) are developed in theory and proven in practice in such an extent to be widely used in the near future in the control of the environment. Many other methods are becoming increasingly important for the solution of specific problems of environmental protection (such as the control of sudden environmental contamination in the proximity of chemical plants and industrial centers). (author)

  17. Chemical phase analysis of seed mediated synthesized anisotropic silver nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Bharti, Amardeep, E-mail: abharti@pu.ac.in; Goyal, Navdeep [Department of Physics, Panjab University, Chandigarh, INDIA-160014 (India); Singh, Suman; Singla, M. L. [Agrionics, Central Scientific Instruments Organization, CSIR, Chandigarh, INDIA-160030 (India)

    2015-08-28

    Noble-metal nanoparticles are of great interest because of its broad applications almost in every stream (i.e. biology, chemistry and engineering) due to their unique size/shape dependant properties. In this paper, chemical phase of seed mediated synthesized anisotropic silver nanoparticle (AgNPs) has been investigated via fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). These nanaoparticles were synthesized by seed-growth method controlled by urea and dextrose results to highly stable 12-20 nm particle size revealed by zeta potential and transmission electron microscopy (TEM)

  18. Analysis of the chemical equilibrium of combustion at constant volume

    Directory of Open Access Journals (Sweden)

    Marius BREBENEL

    2014-04-01

    Full Text Available Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant volume is next considered as example of application, observing the changes occurring in the composition of the combustion gases depending on temperature.

  19. Chemical analysis of dairy cattle feed from Brazil

    International Nuclear Information System (INIS)

    Luis Gustavo Cofani dos Santos; De Nadai Fernandes, E.A.; Marcio Arruda Bacchi; Lucimara Blumer; Gabriel Adrian Sarries; Fernando Barbosa Junior

    2009-01-01

    The bovine dairy cattle demand diets of high nutritional value being essential to know chemical composition of feed supplied to cows to achieve high levels of quality, safety and productivity of milk. Different roughages and concentrates from Minas Gerais and Rio Grande do Sul states, Brazil, were analyzed by instrumental neutron activation analysis (INAA) and inductively coupled plasma mass spectrometry (ICP-MS). Concentrate and roughage samples were differentiated by mass fractions of As, Ba, Mg, P, Rb and Sr. Samples of concentrate from both origins were differentiated by mass fractions of As, Cd, Co, Cr, Cs, Ni and Rb. (author)

  20. The Impact of Flow Injection on Modern Chemical Analysis

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    to implement procedures which previously were difficult or, actually, impossible to execute by conventional means. Clever examples are exploitation of bio-or chemiluminescence, methods relying on kinetic discrimination schemes, assay of metastable constituents, or the use of on-line separation......There is no doubt that Flow Injection Analysis (FIA) has had a profound impact on the ways and means that modern analytical chemical procedures are performed. This is amply reflected in the voluminous scientific literature, which by the middle of 2004 passed more than 14,500 FIA...

  1. Tissue chemical analysis with muonic X-rays

    International Nuclear Information System (INIS)

    Hutson, R.L.; Reidy, J.J.; Springer, K.; Daniel, H.; Knowles, H.B.

    1976-01-01

    The stopped muon channel at the Clinton P. Anderson Meson Physics Facility (LAMPF) was used as a source of muons for studying the elemental composition of tissue with muonic X rays. The X ray spectra from several types of tissue were used to determine the amounts of carbon, nitrogen, and oxygen present. These determinations agree with the results of more conventional chemical analysis. The results show that muonic X rays offer a non-invasive technique for determining the amounts of the more abundant elements present in selected regions of the body. (orig.) [de

  2. Physcio chemical analysis of browning inhibitors treated solanum turberosum powder

    International Nuclear Information System (INIS)

    Alizai, M.N.K.; Abid, H.

    2008-01-01

    White potatoes (Solanum turberosum) were procured from agriculture Research Institute Tarnab Farm Peshawar to use for the preparation of potato powder. The process involves sorting. Washing, peeling slicing, blanching, treating with poly phenol oxidase inhibitors, dehydration, grinding and packing. All these parameters used in process were standardized. Chemical analysis of fresh potato and potato powder were carried out. Microbiological examination, functional properties and storage life studies of the potato powder were also performed. The product prepared by drying in cabinet dryer at 55 C for 7 hours was off white colour potatoes chips which was grinded to make off white potato powder. The potato powder possessed taste and texture. (author)

  3. Treatment systems for liquid wastes generated in chemical analysis laboratories

    International Nuclear Information System (INIS)

    Linda Berrio; Oscar Beltran; Edison Agudelo; Santiago Cardona

    2012-01-01

    Nowadays, handling of liquid wastes from chemical analysis laboratories is posing problems to different public and private organizations because of its requirements of an integrated management. This article reviews various treatment technologies and its removal efficiencies in order to establish criteria for selecting the system and the appropriate variables to achieve research objectives as well as environmental sustainability. Review begins with a description of the problem and continues with the study of treatments for laboratory wastes. These technologies are segregated into physicochemical and biological treatments that comprise a variety of processes, some of which are considered in this review.

  4. QUALITY ASSURANCE GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

    Science.gov (United States)

    The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following quality assurance guidelines to provide laboratories engaged in forensic analysis of chemical evidence associated with terrorism a framework to implement a quality assura...

  5. Extended automated separation techniques in destructive neutron activation analysis; application to various biological materials, including human tissues and blood

    International Nuclear Information System (INIS)

    Tjioe, P.S.; Goeij, J.J.M. de; Houtman, J.P.W.

    1976-09-01

    Neutron activation analysis may be performed as a multi-element and low-level technique for many important trace elements in biological materials, provided that post-irradiation chemical separations are applied. This paper describes a chemical separation consisting of automated procedures for destruction, distillation, and anion-chromatography. The system developed enables the determination of 14 trace elements in biological materials, viz. antimony, arsenic, bromine, cadmium, chromium, cobalt, copper, gold, iron, mercury, molybdenum, nickel, selenium, and zinc. The aspects of sample preparation, neutron irradiation, gamma-spectrum evaluation, and blank-value contribution are also discussed

  6. Analysis of advanced european nuclear fuel cycle scenarios including transmutation and economical estimates

    International Nuclear Information System (INIS)

    Merino Rodriguez, I.; Alvarez-Velarde, F.; Martin-Fuertes, F.

    2013-01-01

    In this work the transition from the existing Light Water Reactors (LWR) to the advanced reactors is analyzed, including Generation III+ reactors in a European framework. Four European fuel cycle scenarios involving transmutation options have been addressed. The first scenario (i.e., reference) is the current fleet using LWR technology and open fuel cycle. The second scenario assumes a full replacement of the initial fleet with Fast Reactors (FR) burning U-Pu MOX fuel. The third scenario is a modification of the second one introducing Minor Actinide (MA) transmutation in a fraction of the FR fleet. Finally, in the fourth scenario, the LWR fleet is replaced using FR with MOX fuel as well as Accelerator Driven Systems (ADS) for MA transmutation. All scenarios consider an intermediate period of GEN-III+ LWR deployment and they extend for a period of 200 years looking for equilibrium mass flows. The simulations were made using the TR-EVOL code, a tool for fuel cycle studies developed by CIEMAT. The results reveal that all scenarios are feasible according to nuclear resources demand (U and Pu). Concerning to no transmutation cases, the second scenario reduces considerably the Pu inventory in repositories compared to the reference scenario, although the MA inventory increases. The transmutation scenarios show that elimination of the LWR MA legacy requires on one hand a maximum of 33% fraction (i.e., a peak value of 26 FR units) of the FR fleet dedicated to transmutation (MA in MOX fuel, homogeneous transmutation). On the other hand a maximum number of ADS plants accounting for 5% of electricity generation are predicted in the fourth scenario (i.e., 35 ADS units). Regarding the economic analysis, the estimations show an increase of LCOE (Levelized cost of electricity) - averaged over the whole period - with respect to the reference scenario of 21% and 29% for FR and FR with transmutation scenarios respectively, and 34% for the fourth scenario. (authors)

  7. Comparing chemical analysis with literature studies to identify micropollutants in a catchment of Copenhagen (DK)

    DEFF Research Database (Denmark)

    Lützhøft, Hans-Christian Holten; Birch, Heidi; Eriksson, Eva

    2011-01-01

    on urban surface runoff originating from a well defined catchment of Copenhagen (Denmark) with an inventory of potential pollution sources for the same catchment. The selected catchment covers an area with roads, a shopping centre, a parking lot, office buildings, a gymnasium and some restaurants....... The literature approach is limited to the range of included PSs and to how and which information is compiled, whereas the analytical chemical approach is limited to the selection of analyzed substances, sensitivity and precision. Comparing the two approaches of chemical analysis with literature study to identify...

  8. Some comments on misuse of terms related to chemical analysis

    International Nuclear Information System (INIS)

    Complet text of publication follows. I have been involved in scientific studies involving chemical analysis for more than 49 years. Over this period I have observed an increasing tendency to incorrect use of terms 'analysis' and 'determination' and the corresponding verbum forms. According to correct terminology in English, samples are analyzed, analytes (e.g., trace elements) are determined. However, too often expressions such as 'analysis of copper in blood' are seen in the literature, especially in papers written by non-chemists. The reason why I am raising this point at the present time in that I observed the problem in several recent titles of papers published over the last few years in the Journal of Radioanalytical and Nuclear Chemistry: Preconcentration and neutron activation analysis of thorium and uranium in natural waters. Use of activated carbon as pre-separation agent in NAA of selenium, cobalt and iodine. Recent developments in the analysis of transuranics (Np, Pu, Am) in sea water. Automated radiochemical analysis of total 99 Tc in aged nuclear waste processing streams. Photon activation analysis of carbon in glasses for fiber amplifiers by using the flow method for the rapid separation of 11 C. Preconcentration neutron activation analysis of lanthanides by cloudpoint extraction using PAN. Analysis of the chemical elements in leaves infected by fumagina by X-ray fluorescence technique. Rapid method for 226 Ra and 228 Ra analysis in water samples. The above list is far from exhaustive. I believe that this incorrect use of terminology should be avoided at least in the titles of scientific papers, in Journal of Radioanalytical and Nuclear Chemistry as well as in other scientific journals. In some of the above cases replacing 'of' with 'for the determination of', or just with 'for', would have solved the problem. In other cases it would be preferable to reverse the order of words in the sentence, such as e.g., 'Determination of selenium, cobalt and

  9. Comparison of descriptive sensory analysis and chemical analysis for oxidative changes in milk

    DEFF Research Database (Denmark)

    Hedegaard, R V; Kristensen, D; Nielsen, Jacob Holm

    2006-01-01

    and lipolytic changes occurring in the milk during chill storage for 4 d. Sensory analysis and chemical analysis showed high correlation between the typical descriptors for oxidation such as cardboard, metallic taste, and boiled milk and specific chemical markers for oxidation such as hexanal. Notably, primary......Oxidation in 3 types of bovine milk with different fatty acid profiles obtained through manipulation of feed was evaluated by analytical methods quantifying the content of potential antioxidants, the tendency of formation of free radicals, and the accumulation of primary and secondary oxidation...... products. The milk samples were evaluated in parallel by descriptive sensory analysis by a trained panel, and the correlation between the chemical analysis and the descriptive sensory analysis was evaluated. The fatty acid composition of the 3 types of milk was found to influence the oxidative...

  10. The Frontlines of Medicine Project: a proposal for the standardized communication of emergency department data for public health uses including syndromic surveillance for biological and chemical terrorism.

    Science.gov (United States)

    Barthell, Edward N; Cordell, William H; Moorhead, John C; Handler, Jonathan; Feied, Craig; Smith, Mark S; Cochrane, Dennis G; Felton, Christopher W; Collins, Michael A

    2002-04-01

    The Frontlines of Medicine Project is a collaborative effort of emergency medicine (including emergency medical services and clinical toxicology), public health, emergency government, law enforcement, and informatics. This collaboration proposes to develop a nonproprietary, "open systems" approach for reporting emergency department patient data. The common element is a standard approach to sending messages from individual EDs to regional oversight entities that could then analyze the data received. ED encounter data could be used for various public health initiatives, including syndromic surveillance for chemical and biological terrorism. The interlinking of these regional systems could also permit public health surveillance at a national level based on ED patient encounter data. Advancements in the Internet and Web-based technologies could allow the deployment of these standardized tools in a rapid time frame.

  11. Microbiological and chemical analysis of land snails commercialised in Sicily

    Directory of Open Access Journals (Sweden)

    Antonello Cicero

    2015-05-01

    Full Text Available In this study 160 samples of snails belonging to the species Helix aspersa maxima and Helix aspersa muller were examined for chemical and microbiological analysis. Samples came from Greece and Poland. Results showed mean concentration of cadmium (0.35±0.036 mg/kg and lead (0.05±0.013 mg/kg much higher than the limit of detection. Mercury levels in both species were not detected. Microbiological analysis revealed the absence of Salmonella spp. and Clostridium spp. in both examined species. E. coli and K. oxytoca were observed in Helix aspersa maxima and Helix aspersa muller. Furthermore, one case of fungi positivity in samples of Helix aspersa muller was found. The reported investigations highlight the need to create and adopt a reference legislation to protect the health of consumers.

  12. Chemical analysis for waste management in paint industries

    International Nuclear Information System (INIS)

    Nawaz, Z.; Naveed, S.; Shiekh, N.A.; Sagheer, K.

    2005-01-01

    The chemical analysis of paint industries waste has been carried out; the main emission sources are the heating of raw materials and lacquer. Also the waste from other applications and production contains high concentration of heavy metals, VOC's, COD, TDS with notable acidity and alkalinity. Based on the analysis it was observed that the major losses of production could be minimized. Further toxic effects of the waste material can be minimized. In this reference measures to minimize production losses should be adopted along with the proper management. These laboratory results also lead to the areas of emissions and waste production during manufacturing process. Solutions have been proposed for process development and integrated waste minimization. (author)

  13. Chemical and spectroscopic analysis of lignin in isolated flax fibers.

    Science.gov (United States)

    Morrison, W H; Himmelsbach, D S; Akin, D E; Evans, J D

    2003-04-23

    The chemistry of pure flax fibers, free of contaminating nonfiber components, has not been determined. Fibers from the center sections of the stem of seed and fiber flax (Linum usitatissium L.), which had been retted after soaking in water and removal of the epidermis by hand, underwent chemical and spectroscopic analysis. Wet chemical analysis showed only trace indications of aromatics and no long chain fatty acids or alcohols in fibers. Pyrolysis mass spectroscopy (PyMS) and pyrolysis gas chromatography mass spectrometry (PyGCMS) showed only trace amounts of aromatic constituents that could be attributed to the presence of lignin. Mid-infrared (Mid-IR) and Raman spectroscopy of these fibers showed no aromatic compounds present. This study suggests that earlier work reporting the presence of lignin ranging from 1 to 4% may be the result of residual shive or epidermis/cuticle material remaining after the retting process which may be responsible for the favorable properties desired by the composites industry.

  14. Stochastic analysis of Chemical Reaction Networks using Linear Noise Approximation.

    Science.gov (United States)

    Cardelli, Luca; Kwiatkowska, Marta; Laurenti, Luca

    2016-11-01

    Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analyzed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some molecules occur in low numbers. Unfortunately, both approaches become infeasible if the system is complex and/or it cannot be ensured that initial populations are small. We develop a probabilistic logic for CRNs that enables stochastic analysis of the evolution of populations of molecular species. We present an approximate model checking algorithm based on the Linear Noise Approximation (LNA) of the CME, whose computational complexity is independent of the population size of each species and polynomial in the number of different species. The algorithm requires the solution of first order polynomial differential equations. We prove that our approach is valid for any CRN close enough to the thermodynamical limit. However, we show on four case studies that it can still provide good approximation even for low molecule counts. Our approach enables rigorous analysis of CRNs that are not analyzable by solving the CME, but are far from the deterministic limit. Moreover, it can be used for a fast approximate stochastic characterization of a CRN. Copyright © 2016 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

  15. Two-stage bottom-up tiered approach combining several alternatives for identification of eye irritation potential of chemicals including insoluble or volatile substances.

    Science.gov (United States)

    Hayashi, Kazuhiko; Mori, Taeko; Abo, Takayuki; Ooshima, Kenichi; Hayashi, Takumi; Komano, Tomoko; Takahashi, Yutaka; Sakaguchi, Hitoshi; Takatsu, Akihiko; Nishiyama, Naohiro

    2012-10-01

    For the assessment of eye irritation, one alternative test may not completely replace the rabbit Draize test. In the present study, we examined the predictive potential of a tiered approach analyzing the results from several alternatives (i.e., the Short Time Exposure (STE) test, the EpiOcular assay, the Hen's Egg Test-Chorioallantoic Membrane (HET-CAM) assay and the Bovine Corneal Opacity and Permeability (BCOP) assay) for assessing Globally Harmonized System (GHS) eye irritation categories. Fifty-six chemicals including alcohols, surfactants, and esters were selected with a balanced GHS category and a wide range of chemical classes. From a standpoint of both assessable sample numbers and predictive accuracy, the more favorable tiered approach was considered to be the two-stage bottom-up tiered approach combining the STE test, the EpiOcular assay followed by the BCOP assay (accuracy 69.6%, under prediction rate 8.9%). Moreover, a more favorable predictive capacity (accuracy 71.4%, under prediction rate 3.6%) was obtained when high volatile alcohols/esters with vapor pressures >6 kilopascal (kPa) at 25°C were evaluated with EpiOcular assay instead of the STE test. From these results, the two-stage bottom-up tiered approach combining the STE test, the EpiOcular assay followed by the BCOP assay might be a promising method for the classification of GHS eye irritation category (Not classified (NC), Category 2 (Cat. 2), and Category 1 (Cat. 1)) for a wide range of test chemicals regardless of solubility. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  17. Safety- and Risk Analysis Activities in Chemical Industry in Europe

    International Nuclear Information System (INIS)

    Kozine, Igor; Duijm, Nijs Jan; Lauridsen Kurt

    2001-01-01

    The current paper gives an overview of the legislation and the methods used in safety and risk management in the chemical industry within Europe and in particular within the European Union. The paper is based on a report that has been written for the SOS-1 project under the Nordic nuclear safety research (NKS). Safety- and risk-related matters in the process industry, in particular, in chemical, within the EU are subject to consideration at three levels: (1) EU legislation, (2) European/intemational standardisation, and (3) socio-economic analysis. EC Directives define the 'essential requirements', e.g., protection of health and safety, that must be fulfilled when goods are placed on the market or some industry is put into operation. The European standards bodies (CEN, CENELEC and ETSI) have the task of establishing the corresponding technical specifications, meeting the essential requirements of the Directives, compliance with which will provide a presumption of conformity with the essential requirements. Such specifications are referred to as 'harmonised standards'. Compliance with harmonised standards remains voluntary, and manufacturers are free to choose any other technical solution that provides compliance with the essential requirements. This view is stated in the 'New Approach' to technical harmonisation and standardisation (details can be found on the web page: http://europe.eu.int/comm/enterprise/newapproach/standardization/index .html). Standardisation as well as the regulation of technical risks is increasingly being undertaken at European or international level. The European legislator limits its role to the affirmation of overall objectives, and leaves it to the economic players to draw up the technical procedures and standards to specify in detail the ways and means of attaining them. Many countries have introduced requirements that new legislation and/or administrative regulations be subject to socio-economic analysis. In this respect there is a

  18. Requirement analysis for citizen observatories (including stakeholder sensor adoption and usage). D6.21

    OpenAIRE

    McCarthy, Simon; Tapsell, Sue M.; McDonagh, Rosalind; Vita, Lanfranchi; Kim, Anema; Uta, Wehn de Montalvo

    2014-01-01

    This document presents the report on the initial requirements analysis for citizen observatories of water that are designed, developed and implemented during the WeSenseIt project. The observatories will be tested in three distinct case study locations: Doncaster (UK), Delfland (NL) and Alto Adriatico (Italy). The report focuses on the initial requirements analysis of stakeholders in terms of their preferences for the technological components of the citizen observatory for the design and use ...

  19. Application of hazard analysis critical control points (HACCP) to organic chemical contaminants in food.

    Science.gov (United States)

    Ropkins, K; Beck, A J

    2002-03-01

    Hazard Analysis Critical Control Points (HACCP) is a systematic approach to the identification, assessment, and control of hazards that was developed as an effective alternative to conventional end-point analysis to control food safety. It has been described as the most effective means of controlling foodborne diseases, and its application to the control of microbiological hazards has been accepted internationally. By contrast, relatively little has been reported relating to the potential use of HACCP, or HACCP-like procedures, to control chemical contaminants of food. This article presents an overview of the implementation of HACCP and discusses its application to the control of organic chemical contaminants in the food chain. Although this is likely to result in many of the advantages previously identified for microbiological HACCP, that is, more effective, efficient, and economical hazard management, a number of areas are identified that require further research and development. These include: (1) a need to refine the methods of chemical contaminant identification and risk assessment employed, (2) develop more cost-effective monitoring and control methods for routine chemical contaminant surveillance of food, and (3) improve the effectiveness of process optimization for the control of chemical contaminants in food.

  20. Development of pure component property models for chemical product-process design and analysis

    DEFF Research Database (Denmark)

    Hukkerikar, Amol Shivajirao

    statistical information about the quality of parameter estimation, such as the parameter covariance, the standard errors in predicted properties, and the confidence intervals. For parameter estimation, large data sets of experimentally measured property values of a wide range of pure components taken from......Property prediction models based on the group-contribution+ (GC+) approach have been developed to provide reliable predictions of pure component properties together with uncertainties of predicted property values which is much needed information in performing chemical product and process design...... and analysis of sustainable chemical processes. For developing property models, a systematic methodology for property modeling and uncertainty analysis is employed. The methodology includes a parameter estimation step to determine parameters of the property model and an uncertainty analysis step to establish...

  1. Advanced All-Gas Chemical Generation of Atomic Iodine for a COIL, and Testing the COIL Operation Including This Method of Atomic Iodine Generation

    National Research Council Canada - National Science Library

    Kodymova, Jarmila; Spalek, Otomar; Jirasek, Vit; Censky, Miroslav

    2004-01-01

    This report results from a contract tasking Academy of Sciences as follows: The Grantee will investigate advanced methods for chemical generation of atomic iodine for a Chemical Oxygen-Iodine Laser (COIL...

  2. Probabilistic and deterministic soil structure interaction analysis including ground motion incoherency effects

    Energy Technology Data Exchange (ETDEWEB)

    Elkhoraibi, T., E-mail: telkhora@bechtel.com; Hashemi, A.; Ostadan, F.

    2014-04-01

    Soil-structure interaction (SSI) is a major step for seismic design of massive and stiff structures typical of the nuclear facilities and civil infrastructures such as tunnels, underground stations, dams and lock head structures. Currently most SSI analyses are performed deterministically, incorporating limited range of variation in soil and structural properties and without consideration of the ground motion incoherency effects. This often leads to overestimation of the seismic response particularly the In-Structure-Response Spectra (ISRS) with significant impositions of design and equipment qualification costs, especially in the case of high-frequency sensitive equipment at stiff soil or rock sites. The reluctance to incorporate a more comprehensive probabilistic approach is mainly due to the fact that the computational cost of performing probabilistic SSI analysis even without incoherency function considerations has been prohibitive. As such, bounding deterministic approaches have been preferred by the industry and accepted by the regulatory agencies. However, given the recently available and growing computing capabilities, the need for a probabilistic-based approach to the SSI analysis is becoming clear with the advances in performance-based engineering and the utilization of fragility analysis in the decision making process whether by the owners or the regulatory agencies. This paper demonstrates the use of both probabilistic and deterministic SSI analysis techniques to identify important engineering demand parameters in the structure. A typical nuclear industry structure is used as an example for this study. The system is analyzed for two different site conditions: rock and deep soil. Both deterministic and probabilistic SSI analysis approaches are performed, using the program SASSI, with and without ground motion incoherency considerations. In both approaches, the analysis begins at the hard rock level using the low frequency and high frequency hard rock

  3. Static aeroelastic analysis including geometric nonlinearities based on reduced order model

    Directory of Open Access Journals (Sweden)

    Changchuan Xie

    2017-04-01

    Full Text Available This paper describes a method proposed for modeling large deflection of aircraft in nonlinear aeroelastic analysis by developing reduced order model (ROM. The method is applied for solving the static aeroelastic and static aeroelastic trim problems of flexible aircraft containing geometric nonlinearities; meanwhile, the non-planar effects of aerodynamics and follower force effect have been considered. ROMs are computational inexpensive mathematical representations compared to traditional nonlinear finite element method (FEM especially in aeroelastic solutions. The approach for structure modeling presented here is on the basis of combined modal/finite element (MFE method that characterizes the stiffness nonlinearities and we apply that structure modeling method as ROM to aeroelastic analysis. Moreover, the non-planar aerodynamic force is computed by the non-planar vortex lattice method (VLM. Structure and aerodynamics can be coupled with the surface spline method. The results show that both of the static aeroelastic analysis and trim analysis of aircraft based on structure ROM can achieve a good agreement compared to analysis based on the FEM and experimental result.

  4. The total assessment profile, volume 2. [including societal impact, cost effectiveness, and economic analysis

    Science.gov (United States)

    Leininger, G.; Jutila, S.; King, J.; Muraco, W.; Hansell, J.; Lindeen, J.; Franckowiak, E.; Flaschner, A.

    1975-01-01

    Appendices are presented which include discussions of interest formulas, factors in regionalization, parametric modeling of discounted benefit-sacrifice streams, engineering economic calculations, and product innovation. For Volume 1, see .

  5. Selection Component Analysis of Natural Polymorphisms using Population Samples Including Mother-Offspring Combinations, II

    DEFF Research Database (Denmark)

    Jarmer, Hanne Østergaard; Christiansen, Freddy Bugge

    1981-01-01

    Population samples including mother-offspring combinations provide information on the selection components: zygotic selection, sexual selection, gametic seletion and fecundity selection, on the mating pattern, and on the deviation from linkage equilibrium among the loci studied. The theory...

  6. Hyperspectral analysis for extraction of chemical characteristics in dehydrated bones

    Directory of Open Access Journals (Sweden)

    Carolina Blanch-Perez-del-Notario

    2017-09-01

    Full Text Available Gelatin, a valuable commodity in food processing, pharmaceuticals and photography, is produced by boiling the connective tissues, bones and skins of animals. To be able to predict the quality of the resulting gelatin, a number of parameters, such as percentage of fat, protein, water and mineral content, are measured in the raw bones. We evaluate in this paper whether hyperspectral imaging can perform the required fast and accurate prediction of these parameters based on the spectral response of bone samples. This would allow replacing the time-consuming chemical analysis. The spectral response of nine different bone batches in the 600–1000 nm range (Vis-NIR is correlated by means of Partial Least Square regression with the measured parameters. Our results show that high prediction accuracy can be obtained for all measured parameters based on the Vis-NIR spectral response. We can then conclude that hyperspectral imaging is a promising metric for the estimation of these chemical characteristics.

  7. Methods of chemical and phase composition analysis of gallstones

    Science.gov (United States)

    Suvorova, E. I.; Pantushev, V. V.; Voloshin, A. E.

    2017-11-01

    This review presents the instrumental methods used for chemical and phase composition investigation of gallstones. A great body of data has been collected in the literature on the presence of elements and their concentrations, obtained by fluorescence microscopy, X-ray fluorescence spectroscopy, neutron activation analysis, proton (particle) induced X-ray emission, atomic absorption spectroscopy, high-resolution gamma-ray spectrometry, electron paramagnetic resonance. Structural methods—powder X-ray diffraction, infrared spectroscopy, Raman spectroscopy—provide information about organic and inorganic phases in gallstones. Stone morphology was studied at the macrolevel with optical microscopy. Results obtained by analytical scanning and transmission electron microscopy with X-ray energy dispersive spectrometry are discussed. The chemical composition and structure of gallstones determine the strategy of removing stone from the body and treatment of patients: surgery or dissolution in the body. Therefore one chapter of the review describes the potential of dissolution methods. Early diagnosis and appropriate treatment of the disease depend on the development of clinical methods for in vivo investigation, which gave grounds to present the main characteristics and potential of ultrasonography (ultrasound scanning), magnetic resonance imaging, and X-ray computed tomography.

  8. ANALYSIS OF THERMAL-CHEMICAL CHARACTERISTICS OF BIOMASS ENERGY PELLETS

    Directory of Open Access Journals (Sweden)

    Zorica Gluvakov

    2014-09-01

    Full Text Available In modern life conditions, when emphasis is on environmental protection and sustainable development, fuels produced from biomass are increasingly gaining in importance, and it is necessary to consider the quality of end products obtained from biomass. Based on the existing European standards, collected literature and existing laboratory methods, this paper presents results of testing individual thermal - chemical properties of biomass energy pellets after extrusion and cooling the compressed material. Analysing samples based on standard methods, data were obtained on the basis of which individual thermal-chemical properties of pellets were estimated. Comparing the obtained results with the standards and literature sources, it can be said that moisture content, ash content and calorific values are the most important parameters for quality analysis which decide on applicability and use-value of biomass energy pellets, as biofuel. This paper also shows the impact of biofuels on the quality of environmental protection. The conclusion provides a clear statement of quality of biomass energy pellets.

  9. MetaComp: comprehensive analysis software for comparative meta-omics including comparative metagenomics.

    Science.gov (United States)

    Zhai, Peng; Yang, Longshu; Guo, Xiao; Wang, Zhe; Guo, Jiangtao; Wang, Xiaoqi; Zhu, Huaiqiu

    2017-10-02

    During the past decade, the development of high throughput nucleic sequencing and mass spectrometry analysis techniques have enabled the characterization of microbial communities through metagenomics, metatranscriptomics, metaproteomics and metabolomics data. To reveal the diversity of microbial communities and interactions between living conditions and microbes, it is necessary to introduce comparative analysis based upon integration of all four types of data mentioned above. Comparative meta-omics, especially comparative metageomics, has been established as a routine process to highlight the significant differences in taxon composition and functional gene abundance among microbiota samples. Meanwhile, biologists are increasingly concerning about the correlations between meta-omics features and environmental factors, which may further decipher the adaptation strategy of a microbial community. We developed a graphical comprehensive analysis software named MetaComp comprising a series of statistical analysis approaches with visualized results for metagenomics and other meta-omics data comparison. This software is capable to read files generated by a variety of upstream programs. After data loading, analyses such as multivariate statistics, hypothesis testing of two-sample, multi-sample as well as two-group sample and a novel function-regression analysis of environmental factors are offered. Here, regression analysis regards meta-omic features as independent variable and environmental factors as dependent variables. Moreover, MetaComp is capable to automatically choose an appropriate two-group sample test based upon the traits of input abundance profiles. We further evaluate the performance of its choice, and exhibit applications for metagenomics, metaproteomics and metabolomics samples. MetaComp, an integrative software capable for applying to all meta-omics data, originally distills the influence of living environment on microbial community by regression analysis

  10. Dipole model analysis of highest precision HERA data, including very low Q2's

    International Nuclear Information System (INIS)

    Luszczak, A.; Kowalski, H.

    2016-12-01

    We analyse, within a dipole model, the final, inclusive HERA DIS cross section data in the low χ region, using fully correlated errors. We show, that these highest precision data are very well described within the dipole model framework starting from Q 2 values of 3.5 GeV 2 to the highest values of Q 2 =250 GeV 2 . To analyze the saturation effects we evaluated the data including also the very low 0.35including this region show a preference of the saturation ansatz.

  11. Computational analysis of RNA structures with chemical probing data.

    Science.gov (United States)

    Ge, Ping; Zhang, Shaojie

    2015-06-01

    RNAs play various roles, not only as the genetic codes to synthesize proteins, but also as the direct participants of biological functions determined by their underlying high-order structures. Although many computational methods have been proposed for analyzing RNA structures, their accuracy and efficiency are limited, especially when applied to the large RNAs and the genome-wide data sets. Recently, advances in parallel sequencing and high-throughput chemical probing technologies have prompted the development of numerous new algorithms, which can incorporate the auxiliary structural information obtained from those experiments. Their potential has been revealed by the secondary structure prediction of ribosomal RNAs and the genome-wide ncRNA function annotation. In this review, the existing probing-directed computational methods for RNA secondary and tertiary structure analysis are discussed. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Chemical analysis of ancient relicts in the Milky Way disk

    Directory of Open Access Journals (Sweden)

    Tautvaišienė G.

    2012-02-01

    Full Text Available We present detailed analysis of two groups of F- and G- type stars originally found to have similarities in their orbital parameters. The distinct kinematic properties suggest that they might originate from ancient accretion events in the Milky Way. From high resolution spectra taken with the spectrograph FIES at the Nordic Optical Telescope, La Palma, we determined abundances of oxygen, alpha- and r-process elements. Our results indicate that the sample of investigated stars is chemically homogeneous and the abundances of oxygen, alpha and r-process elements are overabundant in comparison with Galactic disk dwarfs. This provides the additional evidence that those stellar groups had the common formation and possible origin from disrupted satellites.

  13. Chemical analysis of ancient relicts in the Milky Way disk

    Science.gov (United States)

    Stonkutė, E.; Ženovienė, R.; Tautvaišienė, G.; Nordström, B.

    2012-02-01

    We present detailed analysis of two groups of F- and G- type stars originally found to have similarities in their orbital parameters. The distinct kinematic properties suggest that they might originate from ancient accretion events in the Milky Way. From high resolution spectra taken with the spectrograph FIES at the Nordic Optical Telescope, La Palma, we determined abundances of oxygen, alpha- and r-process elements. Our results indicate that the sample of investigated stars is chemically homogeneous and the abundances of oxygen, alpha and r-process elements are overabundant in comparison with Galactic disk dwarfs. This provides the additional evidence that those stellar groups had the common formation and possible origin from disrupted satellites.

  14. Pooled calibrations and retainment of outliers improve chemical analysis

    DEFF Research Database (Denmark)

    Andersen, Jens; Alfaloje, Haedar S.H.

    2012-01-01

    Analytical chemistry has a large responsibility in society, and credibility and reliability are important concepts associated with chemical analysis. Metrology and Quality Assurance (QA) are key areas of interest in contemporary research. Quality in measurements is illustrated by a series...... of experiments with several analytical technologies comprising of ICP-MS, GC-MS and AAS. The scientific methodology relies on the concept of reproducibility that depends on type of analyte and type of apparatus. By applying the principle of pooled calibrations it is shown that the performance of the apparatus...... indicate that the procedures outlined in the Eurachem/CITAC Guide are of tremendous value to analytical sciences because they direct researcher's attention towards the concept of consensus values rather than towards true values. Introduction of certified reference materials (CRM’s) in metrology has...

  15. Noodle based analytical devices for cost effective green chemical analysis.

    Science.gov (United States)

    Kiwfo, Kanokwan; Wongwilai, Wasin; Paengnakorn, Pathinan; Boonmapa, Sasithorn; Sateanchok, Suphasinee; Grudpan, Kate

    2018-05-01

    Noodle based analytical devices are proposed for cost effective green chemical analysis. Two noodle based analytical platforms have been examined. Conditions for flow with laminar behaviors could be established. Detection may be via a webcam camera or a flatbed scanner. Acid-base reactions were chosen as a model study. The assays of acetic acid and sodium hydroxide were investigated. Apart from bromothymol blue, simple aqueous extract of butterfly pea flower was used as a natural reagent. Another model was the assay of copper (Cu 2+ ) which was based on the redox reaction of copper (Cu 2+ ) with iodide to produce tri-iodide forming brown/black product with starch which already exists in the noodle platform. Demonstration to apply the noodle platforms for real samples was made. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. [Quality assurance of the chemical analysis measurements of foods].

    Science.gov (United States)

    Matsuda, Rieko

    2012-01-01

    This document outlined the quality assurance of measurements in the chemical analysis practiced in the food testing in Japan. The quality required for a measurement is the confidence, but necessary degree of confidence is dependent on the intended use of the measurement. The recognition of the purpose of measurement is important in quality assurance of measurements. Once the required quality is decided, the quality of the measurement is assured by various quality assurance means. The international documents about quality assurance of measurement are introduced in this document, as well as the domestic notifications enforced in Japan. Means such as the validation of analytical method and the internal quality control are explained. The concept of the measurement uncertainty is also introduced.

  17. Crystal-Chemical Analysis Martian Minerals in Gale Crater

    Science.gov (United States)

    Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.; hide

    2015-01-01

    The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analyses on scooped soil at Rocknest and on drilled rock fines at Yellowknife Bay (John Klein and Cumberland samples), The Kimberley (Windjana sample), and Pahrump (Confidence Hills sample) in Gale crater, Mars. Samples were analyzed with the Rietveld method to determine the unit-cell parameters and abundance of each observed crystalline phase. Unit-cell parameters were used to estimate compositions of the major crystalline phases using crystal-chemical techniques. These phases include olivine, plagioclase and clinopyroxene minerals. Comparison of the CheMin sample unit-cell parameters with those in the literature provides an estimate of the chemical compositions of the major crystalline phases. Preliminary unit-cell parameters, abundances and compositions of crystalline phases found in Rocknest and Yellowknife Bay samples were reported in. Further instrument calibration, development of 2D-to- 1D pattern conversion corrections, and refinement of corrected data allows presentation of improved compositions for the above samples.

  18. Analysis: including visually impaired participants in validation design studies of diabetes technology.

    Science.gov (United States)

    Uslan, Mark; Blubaugh, Morgan

    2010-09-01

    In an article in this issue of Journal of Diabetes Science and Technology, Sherwyn Schwartz, M.D., presents a study to validate the design of the ClikSTAR® insulin pen from sanofi-aventis and demonstrates that the device can be used correctly by participants with diabetes. Concern with this article lies with the selection of participants, which was meant to reflect the intended audience for the insulin pen device but does not address the inclusion of visually impaired individuals, who comprise over 20% of the adult diabetes population. Visually impaired individuals need to be included as part of the intended audience for insulin administration technology, and manufacturers of these devices need to design their products for safe use by all people, including those who are visually impaired. The study demonstrated successful use of the ClikSTAR insulin pen in a population that did not include subjects with severe visual impairment. We believe that future validation studies for insulin administration technology should also include samples of visually impaired users and that visually impaired patients will embrace the use of insulin pens designed with their needs in mind. © 2010 Diabetes Technology Society.

  19. A Comparative Analysis regarding Pictures Included in Secondary School Geography Textbooks Taught in Turkey

    Science.gov (United States)

    Yasar, Okan; Seremet, Mehmet

    2007-01-01

    This study brings in a comparative approach regarding pictures involved in secondary school (14-17 ages) textbooks taught in Turkey. In this respect, following the classification of pictures (line drawings and photographs) included in secondary school education geography textbooks, evaluation of the photographs in books in question in terms of…

  20. Forward and Inverse Analysis of Chemical Transport Models

    Science.gov (United States)

    Ruiz-Lapuente, Pilar

    Assessing the discrepancy between modeled and observed distributions of aerosols is a persistent problem on many scales. Tools for analyzing the evolution of aerosol size distributions using the adjoint method are presented in idealized box model calculations. The ability to recover information about aerosol growth rates and initial size distributions is assessed given a range of simulated observations of evolving systems. While such tools alone could facilitate analysis of chamber measurements, improving estimates of aerosol sources on regional and global scales requires explicit consideration of many additional chemical and physical processes that govern secondary formation of atmospheric aerosols from emissions of gas-phase precursors. The adjoint of the global chemical transport model GEOS-Chem is derived, affording detailed analysis of the relationship between gas-phase aerosol precursor emissions (SOx, NOx and NH 3) and the subsequent distributions of sulfate - ammonium - nitrate aerosol. Assimilation of surface measurements of sulfate and nitrate aerosol is shown to provide valuable constraints on emissions of ammonia. Adjoint sensitivities are used to propose strategies for air quality control, suggesting, for example, that reduction of SOx emissions in the summer and NH3 emissions in the winter would most effectively reduce non-attainment of aerosol air quality standards. The ability of this model to estimate global distributions of carbonaceous aerosol is also addressed. Based on new yield data from environmental chamber studies, mechanisms for incorporating the dependence of secondary organic aerosol (SOA) formation on NOx concentrations are developed for use in global models. When NOx levels are appropriately accounted for, it is demonstrated that sources such as isoprene and aromatics, previously neglected as sources of aerosol in global models, significantly contribute to predicted SOA burdens downwind of polluted areas (owing to benzene and toluene

  1. Chemical analysis and potential health risks of hookah charcoal

    Energy Technology Data Exchange (ETDEWEB)

    Elsayed, Yehya, E-mail: yelsayed@aus.edu; Dalibalta, Sarah, E-mail: sdalibalta@aus.edu; Abu-Farha, Nedal

    2016-11-01

    Hookah (waterpipe) smoking is a very common practice that has spread globally. There is growing evidence on the hazardous consequences of smoking hookah, with studies indicating that its harmful effects are comparable to cigarette smoking if not worse. Charcoal is commonly used as a heating source for hookah smoke. Although charcoal briquettes are thought to be one of the major contributors to toxicity, their composition and impact on the smoke generated remains largely unidentified. This study aims to analyze the elemental composition of five different raw synthetic and natural charcoals by using Carbon-Hydrogen-Nitrogen (CHN) analysis, inductively coupled plasma (ICP), and scanning electron microscopy coupled with energy dispersive X-Ray spectrometry (SEM-EDS). Elemental analysis showed that the raw charcoals contain heavy metals such as zinc, iron, cadmium, vanadium, aluminum, lead, chromium, manganese and cobalt at concentrations similar, if not higher than, cigarettes. In addition, thermal desorption-gas chromatography–mass spectrometry (TD-GC–MS) was used to analyze the chemical composition of the smoke produced from burning the charcoal samples. The smoke emitted from charcoal was found to be the source of numerous compounds which could be hazardous to health. A total of seven carcinogens, 39 central nervous system depressants and 31 respiratory irritants were identified. - Highlights: • Hookah charcoals, mainly synthetic brands, contains trace/heavy metals in concentrations exceeding those in cigarettes. • The concentration of lead in synthetic charcoal briquettes may impose adverse effects on human health. • The amount of nitrogen in synthetic charcoal is comparable to that reported in cigarettes. • Chemical profiling of smoke emitted from hookah charcoal reveals many compounds associated with potential health risks.

  2. A systematic review including meta-analysis of work environment and burnout symptoms

    Directory of Open Access Journals (Sweden)

    Gunnar Aronsson

    2017-03-01

    Full Text Available Abstract Background Practitioners and decision makers in the medical and insurance systems need knowledge on the relationship between work exposures and burnout. Many burnout studies – original as well as reviews - restricted their analyses to emotional exhaustion or did not report results on cynicism, personal accomplishment or global burnout. To meet this need we carried out this review and meta-analyses with the aim to provide systematically graded evidence for associations between working conditions and near-future development of burnout symptoms. Methods A wide range of work exposure factors was screened. Inclusion criteria were: 1 Study performed in Europe, North America, Australia and New Zealand 1990–2013. 2 Prospective or comparable case control design. 3 Assessments of exposure (work and outcome at baseline and at least once again during follow up 1–5 years later. Twenty-five articles met the predefined relevance and quality criteria. The GRADE-system with its 4-grade evidence scale was used. Results Most of the 25 studies focused emotional exhaustion, fewer cynicism and still fewer personal accomplishment. Moderately strong evidence (grade 3 was concluded for the association between job control and reduced emotional exhaustion and between low workplace support and increased emotional exhaustion. Limited evidence (grade 2 was found for the associations between workplace justice, demands, high work load, low reward, low supervisor support, low co-worker support, job insecurity and change in emotional exhaustion. Cynicism was associated with most of these work factors. Reduced personal accomplishment was only associated with low reward. There were few prospective studies with sufficient quality on adverse chemical, biological and physical factors and burnout. Conclusion While high levels of job support and workplace justice were protective for emotional exhaustion, high demands, low job control, high work load, low reward and job

  3. Including health economic analysis in pilot studies: lessons learned from a cost-utility analysis within the PROSPECTIV pilot study

    Directory of Open Access Journals (Sweden)

    Richéal M. Burns

    2017-07-01

    Full Text Available PurposeTo assess feasibility and health economic benefits and costs as part of a pilot study for a nurse-led, psychoeducational intervention (NPLI for prostate cancer in order to understand the potential for cost effectiveness as well as contribute to the design of a larger scale trial.MethodsMen with stable prostate cancer post-treatment were recruited from two cancer centres in the UK. Eighty-three men were randomised to the NLPI plus usual care or usual care alone (UCA (42 NLPI and 41 UCA; the NLPI plus usual care was delivered in the primary-care setting (the intervention and included an initial face-to-face consultation with a trained nurse, with follow-up tailored to individual needs. The study afforded the opportunity to undertake a short-term within pilot analysis. The primary outcome measure for the economic evaluation was quality of life, as measured by the EuroQol five dimensions questionnaire (EQ-5D (EQ-5D-5L instrument. Costs (£2014 assessed included health-service resource use, out-of-pocket expenses and losses from inability to undertake usual activities.ResultsTotal and incremental costs varied across the different scenarios assessed, with mean cost differences ranging from £173 to £346; incremental effect, as measured by the change in utility scores over the duration of follow-up, exhibited wide confidence intervals highlighting inconclusive effectiveness (95% CI: -0.0226; 0.0438. The cost per patient of delivery of the intervention would be reduced if rolled out to a larger patient cohort.ConclusionsThe NLPI is potentially cost saving depending on the scale of delivery; however, the results presented are not considered generalisable.

  4. Integrative Analysis of Gene Expression Data Including an Assessment of Pathway Enrichment for Predicting Prostate Cancer

    Directory of Open Access Journals (Sweden)

    Pingzhao Hu

    2006-01-01

    Full Text Available Background: Microarray technology has been previously used to identify genes that are differentially expressed between tumour and normal samples in a single study, as well as in syntheses involving multiple studies. When integrating results from several Affymetrix microarray datasets, previous studies summarized probeset-level data, which may potentially lead to a loss of information available at the probe-level. In this paper, we present an approach for integrating results across studies while taking probe-level data into account. Additionally, we follow a new direction in the analysis of microarray expression data, namely to focus on the variation of expression phenotypes in predefined gene sets, such as pathways. This targeted approach can be helpful for revealing information that is not easily visible from the changes in the individual genes. Results: We used a recently developed method to integrate Affymetrix expression data across studies. The idea is based on a probe-level based test statistic developed for testing for differentially expressed genes in individual studies. We incorporated this test statistic into a classic random-effects model for integrating data across studies. Subsequently, we used a gene set enrichment test to evaluate the significance of enriched biological pathways in the differentially expressed genes identified from the integrative analysis. We compared statistical and biological significance of the prognostic gene expression signatures and pathways identified in the probe-level model (PLM with those in the probeset-level model (PSLM. Our integrative analysis of Affymetrix microarray data from 110 prostate cancer samples obtained from three studies reveals thousands of genes significantly correlated with tumour cell differentiation. The bioinformatics analysis, mapping these genes to the publicly available KEGG database, reveals evidence that tumour cell differentiation is significantly associated with many

  5. Analysis of Nature of Science Included in Recent Popular Writing Using Text Mining Techniques

    Science.gov (United States)

    Jiang, Feng; McComas, William F.

    2014-09-01

    This study examined the inclusion of nature of science (NOS) in popular science writing to determine whether it could serve supplementary resource for teaching NOS and to evaluate the accuracy of text mining and classification as a viable research tool in science education research. Four groups of documents published from 2001 to 2010 were analyzed: Scientific American, Discover magazine, winners of the Royal Society Winton Prize for Science Books, and books from NSTA's list of Outstanding Science Trade Books. Computer analysis categorized passages in the selected documents based on their inclusions of NOS. Human analysis assessed the frequency, context, coverage, and accuracy of the inclusions of NOS within computer identified NOS passages. NOS was rarely addressed in selected document sets but somewhat more frequently addressed in the letters section of the two magazines. This result suggests that readers seem interested in the discussion of NOS-related themes. In the popular science books analyzed, NOS presentations were found more likely to be aggregated in the beginning and the end of the book, rather than scattered throughout. The most commonly addressed NOS elements in the analyzed documents are science and society and empiricism in science. Only one inaccurate presentation of NOS were identified in all analyzed documents. The text mining technique demonstrated exciting performance, which invites more applications of the technique to analyze other aspects of science textbooks, popular science writing, or other materials involved in science teaching and learning.

  6. Portfolio of prospective clinical trials including brachytherapy: an analysis of the ClinicalTrials.gov database

    International Nuclear Information System (INIS)

    Cihoric, Nikola; Tsikkinis, Alexandros; Miguelez, Cristina Gutierrez; Strnad, Vratislav; Soldatovic, Ivan; Ghadjar, Pirus; Jeremic, Branislav; Dal Pra, Alan; Aebersold, Daniel M.; Lössl, Kristina

    2016-01-01

    To evaluate the current status of prospective interventional clinical trials that includes brachytherapy (BT) procedures. The records of 175,538 (100 %) clinical trials registered at ClinicalTrials.gov were downloaded on September 2014 and a database was established. Trials using BT as an intervention were identified for further analyses. The selected trials were manually categorized according to indication(s), BT source, applied dose rate, primary sponsor type, location, protocol initiator and funding source. We analyzed trials across 8 available trial protocol elements registered within the database. In total 245 clinical trials were identified, 147 with BT as primary investigated treatment modality and 98 that included BT as an optional treatment component or as part of the standard treatment. Academic centers were the most frequent protocol initiators in trials where BT was the primary investigational treatment modality (p < 0.01). High dose rate (HDR) BT was the most frequently investigated type of BT dose rate (46.3 %) followed by low dose rate (LDR) (42.0 %). Prostate was the most frequently investigated tumor entity in trials with BT as the primary treatment modality (40.1 %) followed by breast cancer (17.0 %). BT was rarely the primary investigated treatment modality for cervical cancer (6.8 %). Most clinical trials using BT are predominantly in early phases, investigator-initiated and with low accrual numbers. Current investigational activities that include BT mainly focus on prostate and breast cancers. Important questions concerning the optimal usage of BT will not be answered in the near future. The online version of this article (doi:10.1186/s13014-016-0624-8) contains supplementary material, which is available to authorized users

  7. Stress analysis of fuel claddings with axial fins including creep effects

    International Nuclear Information System (INIS)

    Krieg, R.

    1977-01-01

    For LMFBR fuel claddings with axial fins the stress and strain fields are calculated which may be caused by internal pressure, differential thermal expansion and irradiation induced differential swelling. To provide an appropriate description of the cladding material it is assumed that the total strain is the sum of a linear elastic and a creep term, where the latter one includes the thermal as well as the irradiation induced creep. First the linear elastic problem is treated by a semi-analytical method leading to a bipotential equation for Airys' stress function. Solving this equation analytically means that the field equations valid within the cladding are satisfied exactly. By applying a combined point matching- least square-method the boundary conditions could be satisfied approximately such that in most cases the remaining error is within the uncertainty range of the loading conditions. Then the nonlinear problem which includes creep is approximated by a sequence of linear elastic solutions with time as parameter. The accumulated creep strain is treated here as an imposed strain field. To study the influence of different effects such as fin shape, temperature region, irradiation induced creep and swelling or internal pressure, a total of eleven cases with various parameter variations are investigated. The results are presented graphically in the following forms: stress and strain distributions over the cladding cross section for end of life conditions and boundary stresses and strains versus time. (Auth.)

  8. Dynamic Analysis of Thick Plates Including Deep Beams on Elastic Foundations Using Modified Vlasov Model

    Directory of Open Access Journals (Sweden)

    Korhan Ozgan

    2013-01-01

    Full Text Available Dynamic analysis of foundation plate-beam systems with transverse shear deformation is presented using modified Vlasov foundation model. Finite element formulation of the problem is derived by using an 8-node (PBQ8 finite element based on Mindlin plate theory for the plate and a 2-node Hughes element based on Timoshenko beam theory for the beam. Selective reduced integration technique is used to avoid shear locking problem for the evaluation of the stiffness matrices for both the elements. The effect of beam thickness, the aspect ratio of the plate and subsoil depth on the response of plate-beam-soil system is analyzed. Numerical examples show that the displacement, bending moments and shear forces are changed significantly by adding the beams.

  9. [Hypersexual disorder will not be included in the DSM V : a contextual analysis].

    Science.gov (United States)

    Toussaint, I; Pitchot, W

    2013-01-01

    Hypersexuality disorder has not been added to the list of psychiatric disorders for the Diagnostic and Statistical Manual of Mental Disorders (DSM) V, to be published in May 2013. The evolution of the concept of hypersexuality disorder and its series of different models call into question the controversial context within which its inclusion is considered for the DSM V. A brief contextual analysis makes clear that the creation of this concept follows moral norms and psychosocial values. The construction of hypersexuality disorder in terms of a diagnostic entity rests on the clash of social forces at play in the development process. This article lays the foundation to contemplate the manner in which entities for psychiatric disorders are constructed.

  10. Performance analysis of the MHD-steam combined cycle, including the influence of cost

    Science.gov (United States)

    Berry, G. F.; Dennis, C. B.

    1980-08-01

    A range of possible performance variables is explored in order to determine the sensitivity of a specific plant design to variation in key system parameters and, ultimately, to establish probable system performance limits. The comprehensive computer code that was developed analyzes and simulates an MHD plant for any number of different configurations, and holds constraints automatically while conducting either sensitivity studies or optimization. A summary of a sensitivity analysis conducted for a combined cycle, MHD steam power plant is presented. The influence of several of the more important system parameters were investigated and the results are presented in graphical form. The ANL cost algorithm is described and it is demonstrated that good agreement is obtained for the calculated cost of electricity.

  11. SAXS analysis of a soluble cytosolic NgBR construct including extracellular and transmembrane domains.

    Directory of Open Access Journals (Sweden)

    Joshua Holcomb

    Full Text Available The Nogo-B receptor (NgBR is involved in oncogenic Ras signaling through directly binding to farnesylated Ras. It recruits farnesylated Ras to the non-lipid-raft membrane for interaction with downstream effectors. However, the cytosolic domain of NgBR itself is only partially folded. The lack of several conserved secondary structural elements makes this domain unlikely to form a complete farnesyl binding pocket. We find that inclusion of the extracellular and transmembrane domains that contain additional conserved residues to the cytosolic region results in a well folded protein with a similar size and shape to the E.coli cis-isoprenyl transferase (UPPs. Small Angle X-ray Scattering (SAXS analysis reveals the radius of gyration (Rg of our NgBR construct to be 18.2 Å with a maximum particle dimension (Dmax of 61.0 Å. Ab initio shape modeling returns a globular molecular envelope with an estimated molecular weight of 23.0 kD closely correlated with the calculated molecular weight. Both Kratky plot and pair distribution function of NgBR scattering reveal a bell shaped peak which is characteristic of a single globularly folded protein. In addition, circular dichroism (CD analysis reveals that our construct has the secondary structure contents similar to the UPPs. However, this result does not agree with the currently accepted topological orientation of NgBR which might partition this construct into three separate domains. This discrepancy suggests another possible NgBR topology and lends insight into a potential molecular basis of how NgBR facilitates farnesylated Ras recruitment.

  12. A spectroscopic analysis of the chemically peculiar star HD 207561

    Science.gov (United States)

    Joshi, S.; Semenko, E.; Martinez, P.; Sachkov, M.; Joshi, Y. C.; Seetha, S.; Chakradhari, N. K.; Mary, D. L.; Girish, V.; Ashoka, B. N.

    2012-08-01

    In this paper we present a high-resolution spectroscopic analysis of the chemically peculiar star HD 207561. During a survey programme to search for new rapidly oscillating Ap (roAp) stars in the Northern hemisphere, Joshi et al. observed significant photometric variability on two consecutive nights in the year 2000. The amplitude spectra of the light curves obtained on these two nights showed oscillations with a frequency of 2.79 mHz (P ˜ 6 min). However, subsequent follow-up observations could not confirm any rapid variability. In order to determine the spectroscopic nature of HD 207561, high-resolution spectroscopic and spectropolarimetric observations were carried out. A reasonable fit of the calculated Hβ line profile to the observed one yields an effective temperature (Teff) and surface gravity (log g) of 7300 K and 3.7 dex, respectively. The derived projected rotational velocity (v sin i) for HD 207561 is 74 km s-1, indicative of a relatively fast rotator. The position of HD 207561 in the Hertzsprung-Russell diagram implies that this is slightly evolved from the main-sequence and located well within the δ-Scuti instability strip. The abundance analysis indicates the star has slight underabundances of Ca and Sc and mild overabundances of iron-peak elements. The spectropolarimetric study of HD 207561 shows that the effective magnetic field is within the observational error of 100 G. The spectroscopic analysis revealed that the star has most of the characteristics similar to an Am star, rather than an Ap star, and that it lies in the δ-Scuti instability strip; hence roAp pulsations are not expected in HD 207561, but low-overtone modes might be excited. The present work is based on the analysis of data collected with the Russian 6-m telescope BTA operated by the Special Astrophysical Observatory of the Russian Academy of Sciences (SAO RAS).

  13. Meta-Analysis of the Chemical and Non-Chemical Stressors Affecting Childhood Obesity

    Science.gov (United States)

    Worldwide, approximately 42 million children under the age of 5 years are considered overweight or obese. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stres...

  14. HRI catalytic two-stage liquefaction (CTSL) process materials: chemical analysis and biological testing

    Energy Technology Data Exchange (ETDEWEB)

    Wright, C.W.; Later, D.W.

    1985-12-01

    This report presents data from the chemical analysis and biological testing of coal liquefaction materials obtained from the Hydrocarbon Research, Incorporated (HRI) catalytic two-stage liquefaction (CTSL) process. Materials from both an experimental run and a 25-day demonstration run were analyzed. Chemical methods of analysis included adsorption column chromatography, high-resolution gas chromatography, gas chromatography/mass spectrometry, low-voltage probe-inlet mass spectrometry, and proton nuclear magnetic resonance spectroscopy. The biological activity was evaluated using the standard microbial mutagenicity assay and an initiation/promotion assay for mouse-skin tumorigenicity. Where applicable, the results obtained from the analyses of the CTSL materials have been compared to those obtained from the integrated and nonintegrated two-stage coal liquefaction processes. 18 refs., 26 figs., 22 tabs.

  15. Quantitative analysis of abused drugs in physiological fluids by gas chromatography/chemical ionization mass spectrometry

    International Nuclear Information System (INIS)

    Foltz, R.L.

    1978-01-01

    Methods have been developed for quantitative analysis of commonly abused drugs in physiological fluids using gas chromatography/chemical ionization mass spectrometry. The methods are being evaluated in volunteer analytical and toxicological laboratories, and analytical manuals describing the methods are being prepared. The specific drug and metabolites included in this program are: Δ 9 -tetrahydrocannabinol, methadone, phencyclidine, methaqualone, morphine, amphetamine, methamphetamine, mescaline, 2,5-dimethoxy-4-methyl amphetamine, cocaine, benzoylecgonine, diazepam, and N-desmethyldiazepam. The current analytical methods utilize relatively conventional instrumentation and procedures, and are capable of measuring drug concentrations as low as 1 ng/ml. Various newer techniques such as sample clean-up by high performance liquid chromatography, separation by glass capillary chromatography, and ionization by negative ion chemical ionization are being investigated with respect to their potential for achieving higher sensitivity and specificity, as well as their ability to facilitate simultaneous analysis of more than one drug and metabolite. (Auth.)

  16. Including Health in Environmental Assessments of Major Transport Infrastructure Projects: A Documentary Analysis.

    Science.gov (United States)

    Riley, Emily; Harris, Patrick; Kent, Jennifer; Sainsbury, Peter; Lane, Anna; Baum, Fran

    2018-05-10

    Transport policy and practice impacts health. Environmental Impact Assessments (EIAs) are regulated public policy mechanisms that can be used to consider the health impacts of major transport projects before they are approved. The way health is considered in these environmental assessments (EAs) is not well known. This research asked: How and to what extent was human health considered in EAs of four major transport projects in Australia. We developed a comprehensive coding framework to analyse the Environmental Impact Statements (EISs) of four transport infrastructure projects: three road and one light rail. The coding framework was designed to capture how health was directly and indirectly included. We found that health was partially considered in all four EISs. In the three New South Wales (NSW) projects, but not the one South Australian project, this was influenced by the requirements issued to proponents by the government which directed the content of the EIS. Health was assessed using human health risk assessment (HHRA). We found this to be narrow in focus and revealed a need for a broader social determinants of health approach, using multiple methods. The road assessments emphasised air quality and noise risks, concluding these were minimal or predicted to improve. The South Australian project was the only road project not to include health data explicitly. The light rail EIS considered the health benefits of the project whereas the others focused on risk. Only one project considered mental health, although in less detail than air quality or noise. Our findings suggest EIAs lag behind the known evidence linking transport infrastructure to health. If health is to be comprehensively included, a more complete model of health is required, as well as a shift away from health risk assessment as the main method used. This needs to be mandatory for all significant developments. We also found that considering health only at the EIA stage may be a significant

  17. Including Health in Environmental Assessments of Major Transport Infrastructure Projects: A Documentary Analysis

    Directory of Open Access Journals (Sweden)

    Emily Riley

    2018-02-01

    Full Text Available Background Transport policy and practice impacts health. Environmental Impact Assessments (EIAs are regulated public policy mechanisms that can be used to consider the health impacts of major transport projects before they are approved. The way health is considered in these environmental assessments (EAs is not well known. This research asked: How and to what extent was human health considered in EAs of four major transport projects in Australia. Methods We developed a comprehensive coding framework to analyse the Environmental Impact Statements (EISs of four transport infrastructure projects: three road and one light rail. The coding framework was designed to capture how health was directly and indirectly included. Results We found that health was partially considered in all four EISs. In the three New South Wales (NSW projects, but not the one South Australian project, this was influenced by the requirements issued to proponents by the government which directed the content of the EIS. Health was assessed using human health risk assessment (HHRA. We found this to be narrow in focus and revealed a need for a broader social determinants of health approach, using multiple methods. The road assessments emphasised air quality and noise risks, concluding these were minimal or predicted to improve. The South Australian project was the only road project not to include health data explicitly. The light rail EIS considered the health benefits of the project whereas the others focused on risk. Only one project considered mental health, although in less detail than air quality or noise. Conclusion Our findings suggest EIAs lag behind the known evidence linking transport infrastructure to health. If health is to be comprehensively included, a more complete model of health is required, as well as a shift away from health risk assessment as the main method used. This needs to be mandatory for all significant developments. We also found that considering health

  18. PTAC: a computer program for pressure-transient analysis, including the effects of cavitation. [LMFBR

    Energy Technology Data Exchange (ETDEWEB)

    Kot, C A; Youngdahl, C K

    1978-09-01

    PTAC was developed to predict pressure transients in nuclear-power-plant piping systems in which the possibility of cavitation must be considered. The program performs linear or nonlinear fluid-hammer calculations, using a fixed-grid method-of-characteristics solution procedure. In addition to pipe friction and elasticity, the program can treat a variety of flow components, pipe junctions, and boundary conditions, including arbitrary pressure sources and a sodium/water reaction. Essential features of transient cavitation are modeled by a modified column-separation technique. Comparisons of calculated results with available experimental data, for a simple piping arrangement, show good agreement and provide validation of the computational cavitation model. Calculations for a variety of piping networks, containing either liquid sodium or water, demonstrate the versatility of PTAC and clearly show that neglecting cavitation leads to erroneous predictions of pressure-time histories.

  19. Numerical analysis of trajectories and aberrations of a Wien filter including the effect of fringing fields

    Science.gov (United States)

    Kato, Makoto; Tsuno, Katsushige

    1990-12-01

    Trajectory equations of a stigmatic Wien filter including the effects of unmatched fringing fields are formulated, and an optimum shape with minimum geometrical aberrations is described. A low-aberration Wien filter is realized under the following conditions: (1) electric and magnetic fields satisfy the orthogonal relation even in the off-axial region, and (2) gap lengths between electrodes and magnetic poles are the same for achieving the balancing condition of electric and magnetic forces in fringing regions. The former condition can be realized by both fields with finite but the same hexapole components; this fact enables us to design a filter with simplified geometry that fulfills the latter condition simultaneously. It is shown that a large deflection of trajectories and resultant aberrations appear if the gap lengths are set to be different.

  20. Analysis of electronic models for solar cells including energy resolved defect densities

    Energy Technology Data Exchange (ETDEWEB)

    Glitzky, Annegret

    2010-07-01

    We introduce an electronic model for solar cells including energy resolved defect densities. The resulting drift-diffusion model corresponds to a generalized van Roosbroeck system with additional source terms coupled with ODEs containing space and energy as parameters for all defect densities. The system has to be considered in heterostructures and with mixed boundary conditions from device simulation. We give a weak formulation of the problem. If the boundary data and the sources are compatible with thermodynamic equilibrium the free energy along solutions decays monotonously. In other cases it may be increasing, but we estimate its growth. We establish boundedness and uniqueness results and prove the existence of a weak solution. This is done by considering a regularized problem, showing its solvability and the boundedness of its solutions independent of the regularization level. (orig.)

  1. Transient analysis of heat and mass transfer during heat treatment of wood including pressure equation

    Directory of Open Access Journals (Sweden)

    Younsi Ramdane

    2015-01-01

    Full Text Available In the present paper, three-dimensional equations for coupled heat and mass conservation equations for wood are solved to study the transient heat and mass transfer during high thermal treatment of wood. The model is based on Luikov’s approach, including pressure. The model equations are solved numerically by the commercial package FEMLfor the temperature and moisture content histories under different treatment conditions. The simulation of the proposed conjugate problem allows the assessment of the effect of the heat and mass transfer within wood. A parametric study was also carried out to determine the effects of several parameters such as initial moisture content and the sample thickness on the temperature, pressure and moisture content distributions within the samples during heat treatment.

  2. Process Equipment Failure Mode Analysis in a Chemical Industry

    Directory of Open Access Journals (Sweden)

    J. Nasl Seraji

    2008-04-01

    Full Text Available Background and aims   Prevention of potential accidents and safety promotion in chemical processes requires systematic safety management in them. The main objective of this study was analysis of important process equipment components failure modes and effects in H2S and CO2  isolation from extracted natural gas process.   Methods   This study was done in sweetening unit of an Iranian gas refinery. Failure Mode and Effect Analysis (FMEA used for identification of process equipments failures.   Results   Totally 30 failures identified and evaluated using FMEA. P-1 blower's blade breaking and sour gas pressure control valve bearing tight moving had maximum risk Priority number (RPN, P-1 body corrosion and increasing plug lower side angle of reach DEAlevel control valve  in tower - 1 were minimum calculated RPN.   Conclusion   By providing a reliable documentation system for equipment failures and  incidents recording, maintaining of basic information for later safety assessments would be  possible. Also, the probability of failures and effects could be minimized by conducting preventive maintenance.

  3. Biogeographical Analysis of Chemical Co-Occurrence Data to ...

    Science.gov (United States)

    A challenge with multiple chemical risk assessment is the need to consider the joint behavior of chemicals in mixtures. To address this need, pharmacologists and toxicologists have developed methods over the years to evaluate and test chemical interaction. In practice, however, testing of chemical interaction more often comprises ad hoc binary combinations and rarely examines higher order combinations. One explanation for this practice is the belief that there are simply too many possible combinations of chemicals to consider. Indeed, under stochastic conditions the possible number of chemical combinations scales geometrically as the pool of chemicals increases. However, the occurrence of chemicals in the environment is determined by factors, economic in part, which favor some chemicals over others. We investigate methods from the field of biogeography, originally developed to study avian species co-occurrence patterns, and adapt these approaches to examine chemical co-occurrence. These methods were applied to a national survey of pesticide residues in 168 child care centers from across the country. Our findings show that pesticide co-occurrence in the child care center was not random but highly structured, leading to the co-occurrence of specific pesticide combinations. Thus, ecological studies of species co-occurrence parallel the issue of chemical co-occurrence at specific locations. Both are driven by processes that introduce structure in the pattern of co-o

  4. Dynamic analysis of liquid storage tank including hydrodynamic interaction by boundary element method

    International Nuclear Information System (INIS)

    Hwang, I.T.; Ting, K.

    1987-01-01

    Dynamic response of liquid storage tanks considering the hydrodynamic interactions due to earthquake ground motion has been extensively studied. Several finite element procedures, such as Balendra et. al. (1982) and Haroun (1983), have been devoted to investigate the dynamic interaction between the deformable wall of the tank and the liquid. Further, if the geometry of the storage tank can not be described by axi-symmetric case, the tank wall and the fluid domain must be discretized by three dimensional finite elements to investigate the fluid-structure-interactions. Thus, the need of large computer memory and expense of vast computer time usually make this analysis impractical. To demonstrate the accuracy and reliability of the solution technique developed herein, the dynamic behavior of ground-supported, deformed, cylindrical tank with incompressible fluid conducted by Haroun (1983) are analyzed. Good correlations of hydrodynamic pressure distribution between the computed results with the referenced solutions are noted. The fluid compressibility significantly affects the hydrodynamic pressures of the liquid-tank-interactions and the work which is done on this discussion is still little attention. Thus, the influences of the compressibility of the liquid on the reponse of the liquid storage due to ground motion are then drawn. By the way, the complex-valued frequency response functions for hydrodynamic forces of Haroun's problem are also displayed. (orig./GL)

  5. Behavioral analysis of preterm neonates included in a tactile and kinesthetic stimulation program during hospitalization.

    Science.gov (United States)

    Ferreira, Andréia M; Bergamasco, Niélsy H P

    2010-01-01

    To evaluate the effect of tactile and kinesthetic stimulation on behavioral and clinical development in preterm neonates while still in the hospital. Thirty-two clinically stable preterm infants weighing kinesthetic stimulation (n=16). Data on the infants' clinical progress were collected from medical charts and behavioral evaluations by means of a series of weekly, eight-minute films recorded from the time of inclusion into the study until hospital discharge. There was a trend towards a shorter duration of hospital stay, increased daily weight gain and a predominance of self-regulated behavior (regular breathing, state of alertness, balanced tonus, a range of postures, coordinated movements, hand-to-face movement control, suction, grip, support) in infants in the SG. With respect to motor control, comparative analysis of postconceptional ages according to age-bracket (I - 31-33 weeks 6/7; II - 34-36 weeks 6/7; and III - 37-39 weeks 6/7) revealed balanced tonus and coordinated voluntary movements in all three periods, a longer time spent in a range of postures (age bracket I) or in flexion (age bracket II) and more regular breathing in age bracket I in the SG. In the hospital, tactile and kinesthetic stimulation was shown to have a positive effect, contributing towards adjustment and self-regulation of behavior in the preterm newborn infant. Article registered in the Australian New Zealand Clinical Trials Registry (ANZCTR) under the number ACTRN12610000133033.

  6. Constraints on inflation revisited. An analysis including the latest local measurement of the Hubble constant

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Rui-Yun [Northeastern University, Department of Physics, College of Sciences, Shenyang (China); Zhang, Xin [Northeastern University, Department of Physics, College of Sciences, Shenyang (China); Peking University, Center for High Energy Physics, Beijing (China)

    2017-12-15

    We revisit the constraints on inflation models by using the current cosmological observations involving the latest local measurement of the Hubble constant (H{sub 0} = 73.00 ± 1.75 km s{sup -1} Mpc{sup -1}). We constrain the primordial power spectra of both scalar and tensor perturbations with the observational data including the Planck 2015 CMB full data, the BICEP2 and Keck Array CMB B-mode data, the BAO data, and the direct measurement of H{sub 0}. In order to relieve the tension between the local determination of the Hubble constant and the other astrophysical observations, we consider the additional parameter N{sub eff} in the cosmological model. We find that, for the ΛCDM+r+N{sub eff} model, the scale invariance is only excluded at the 3.3σ level, and ΔN{sub eff} > 0 is favored at the 1.6σ level. Comparing the obtained 1σ and 2σ contours of (n{sub s},r) with the theoretical predictions of selected inflation models, we find that both the convex and the concave potentials are favored at 2σ level, the natural inflation model is excluded at more than 2σ level, the Starobinsky R{sup 2} inflation model is only favored at around 2σ level, and the spontaneously broken SUSY inflation model is now the most favored model. (orig.)

  7. Hepatotoxicity associated with statin use: analysis of the cases included in the Spanish Hepatotoxicity Registry

    Directory of Open Access Journals (Sweden)

    Emilia V. Perdices

    2014-04-01

    Full Text Available Objectives: The hepatotoxic potential of statins is controversial. The objectives of this study were to describe the relative frequency of hepatotoxicity caused by statins and the phenotypes found in Spain. Patients and methods: The incidence of hepatotoxicity attributed to statins in the Spanish Hepatotoxicity Registry (REH were studied and compared with those attributed to other drugs. Results: Between April 1994 and August 2012, the REH included a total of 858 cases of which 47 (5.5 % were attributed to statins. Of these, 16 were due to atorvastatin (34 %; 13 to simvastatin (27.7 %; 12 to fluvastatin (25.5 %; 4 to lovastatin (8.5 % and 2 to pravastatin (4.3 %. Statins represented approximately half of the cardiovascular group which occupied 3.er place (10 %, after anti-infectious agents (37 % and central nervous system drugs (14 %. The hepatocellular pattern was predominant, especially in the simvastatin group (85%, the cholestatic/mixed pattern was more frequent with fluvastatin (66 % and had a similar distribution to atorvastatin. Patients with statin-induced toxicity were older (62 years versus 53 years, p < 0.001 and more often demonstrated an autoimmune hepatitis phenotype (8.5 % versus 1.4 %, p < 0.003. Conclusions: Statins are not a common cause of hepatotoxicity in Spain. Atorvastatin is the statin involved in the greatest number of incidents. The liver injury pattern varies among the different statins. The hepatitis phenotype with autoimmune features appears to be a characteristic signature of statin-induced hepatotoxicity.

  8. An imprecise Dirichlet model for Bayesian analysis of failure data including right-censored observations

    International Nuclear Information System (INIS)

    Coolen, F.P.A.

    1997-01-01

    This paper is intended to make researchers in reliability theory aware of a recently introduced Bayesian model with imprecise prior distributions for statistical inference on failure data, that can also be considered as a robust Bayesian model. The model consists of a multinomial distribution with Dirichlet priors, making the approach basically nonparametric. New results for the model are presented, related to right-censored observations, where estimation based on this model is closely related to the product-limit estimator, which is an important statistical method to deal with reliability or survival data including right-censored observations. As for the product-limit estimator, the model considered in this paper aims at not using any information other than that provided by observed data, but our model fits into the robust Bayesian context which has the advantage that all inferences can be based on probabilities or expectations, or bounds for probabilities or expectations. The model uses a finite partition of the time-axis, and as such it is also related to life-tables

  9. Modeling and analysis of the affinity filtration process, including broth feeding, washing, and elution steps.

    Science.gov (United States)

    He, L Z; Dong, X Y; Sun, Y

    1998-01-01

    Affinity filtration is a developing protein purification technique that combines the high selectivity of affinity chromatography and the high processing speed of membrane filtration. In this work a lumped kinetic model was developed to describe the whole affinity filtration process, including broth feeding, contaminant washing, and elution steps. Affinity filtration experiments were conducted to evaluate the model using bovine serum albumin as a model protein and a highly substituted Blue Sepharose as an affinity adsorbent. The model with nonadjustable parameters agreed fairly to the experimental results. Thus, the performance of the affinity filtration in processing a crude broth containing contaminant proteins was analyzed by computer simulations using the lumped model. The simulation results show that there is an optimal protein loading for obtaining the maximum recovery yield of the desired protein with a constant purity at each operating condition. The concentration of a crude broth is beneficial in increasing the recovery yield of the desired protein. Using a constant amount of the affinity adsorbent, the recovery yield can be enhanced by decreasing the solution volume in the stirred tank due to the increase of the adsorbent weight fraction. It was found that the lumped kinetic model was simple and useful in analyzing the whole affinity filtration process.

  10. Risk Factor Analysis for AKI Including Laboratory Indicators: a Nationwide Multicenter Study of Hospitalized Patients

    Directory of Open Access Journals (Sweden)

    Sasa Nie

    2017-10-01

    Full Text Available Background/Aims: Risk factor studies for acute kidney injury (AKI in China are lacking, especially those regarding non-traditional risk factors, such as laboratory indicators. Methods: All adult patients admitted to 38 tertiary and 22 secondary hospitals in China in any one month between July and December 2014 were surveyed. AKI patients were screened according to the Kidney Disease: Improving Global Outcomes’ definition of AKI. Logistic regression was used to analyze the risk factors for AKI, and Cox regression was used to analyze the risk of in-hospital mortality for AKI patients; additionally, a propensity score analysis was used to reconfirm the risk factors among laboratory indicators for mortality. Results: The morbidity of AKI was 0.97%. Independent risk factors for AKI were advancing age, male gender, hypertension, and chronic kidney disease. All-cause mortality was 16.5%. The predictors of mortality in AKI patients were advancing age, tumor, higher uric acid level and increases in Acute Physiologic Assessment and Chronic Health Evaluation II and Sequential Organ Failure Assessment scores. The hazard ratio (HR for mortality with uric acid levels > 9.1 mg/dl compared with ≤ 5.2 mg/dl was 1.78 (95% CI: 1.23 to 2.58 for the AKI patients as a group, and was 1.73 (95% CI: 1.24 to 2.42 for a propensity score-matched set. Conclusion: In addition to traditional risk factors, uric acid level is an independent predictor of all-cause mortality after AKI.

  11. BWR transient analysis using neutronic / thermal hydraulic coupled codes including uncertainty quantification

    International Nuclear Information System (INIS)

    Hartmann, C.; Sanchez, V.; Tietsch, W.; Stieglitz, R.

    2012-01-01

    The KIT is involved in the development and qualification of best estimate methodologies for BWR transient analysis in cooperation with industrial partners. The goal is to establish the most advanced thermal hydraulic system codes coupled with 3D reactor dynamic codes to be able to perform a more realistic evaluation of the BWR behavior under accidental conditions. For this purpose a computational chain based on the lattice code (SCALE6/GenPMAXS), the coupled neutronic/thermal hydraulic code (TRACE/PARCS) as well as a Monte Carlo based uncertainty and sensitivity package (SUSA) has been established and applied to different kind of transients of a Boiling Water Reactor (BWR). This paper will describe the multidimensional models of the plant elaborated for TRACE and PARCS to perform the investigations mentioned before. For the uncertainty quantification of the coupled code TRACE/PARCS and specifically to take into account the influence of the kinetics parameters in such studies, the PARCS code has been extended to facilitate the change of model parameters in such a way that the SUSA package can be used in connection with TRACE/PARCS for the U and S studies. This approach will be presented in detail. The results obtained for a rod drop transient with TRACE/PARCS using the SUSA-methodology showed clearly the importance of some kinetic parameters on the transient progression demonstrating that the coupling of a best-estimate coupled codes with uncertainty and sensitivity tools is very promising and of great importance for the safety assessment of nuclear reactors. (authors)

  12. Structural and chemical analysis of materials with high spatial resolution

    International Nuclear Information System (INIS)

    Benthem, K. van; Kraemer, S.; Sigle, W.; Ruehle, M.

    2002-01-01

    An understanding of the correlation between microstructures and properties of materials require the characterization of the material on many different length scales. Often the properties depend primarily on the atomistics of defects, such as dislocations and interfaces. The different techniques of transmission electron microscopy allow the characterization of the structure and of the chemical composition of materials with high spatial resolution to the atomic level: high resolution transmission electron microscopy allows the determination of the position of the columns of atoms (ions) with high accuracy. The accuracy which can be achieved in these measurements depends not only on the instrumentation but also on the quality of the transmitted specimen and on the scattering power of the atoms (ions) present in the analyzed column. The chemical composition can be revealed from investigations by analytical microscopy which includes energy dispersive x-ray spectroscopy, mainly quantitatively applied for heavy elements, and electron energy-loss spectroscopy. Furthermore, the energy-loss near-edge structure of EELS data results in information on the local band structure of unoccupied states of the excited atoms and, therefore, on bonding. A quantitative evaluation of convergent beam electron diffraction results in information on the electron charge density distribution of the bulk (defect-free) material. The different techniques are described and applied to different problems in materials science. lt will be shown that nearly atomic resolution can be achieved in high resolution electron microscopy and in analytical electron microscopy. Recent developments in electron microscopy instrumentation will result in atomic resolution in the foreseeable future. (author)

  13. Analysis of initial melanogenesis including tyrosinase transfer and melanosome differentiation through interrupted melanization by glutathione.

    Science.gov (United States)

    Imokawa, G

    1989-07-01

    complete formation of melanosome matrix structure and a lack of inhibition of cellular metabolisms including protein glycosylation.

  14. Characterization of Campylobacter phages including analysis of host range by selected Campylobacter Penner serotypes

    Directory of Open Access Journals (Sweden)

    Brown Stanley

    2007-10-01

    Full Text Available Abstract Background The predominant food borne pathogen in the western world today is Campylobacter. Campylobacter specific bacteriophages (phages have been proposed as an alternative agent for reducing the burden of Campylobacter in broilers. One concern in relation to phage biocontrol is the narrow host range often displayed by phages. To identify the potential of phages as a Campylobacter reducing agent we needed to determine their infectivity on a panel of isolates representing the Campylobacter strains found in broilers as well as humans. Results In this study, Campylobacter phages were isolated from the intestines of broilers and ducks and from abattoir sewage. Twelve phages were investigated to determine their ability to infect the Campylobacter Penner serotypes commonly present in Danish poultry and patients with campylobacteriosis. A total of 89% of the Campylobacter jejuni strains and 14% of the Campylobacter coli strains could be infected by at least one of the bacteriophages. The majority of the phages infected the most common serotypes in Danish broilers (O:1,44; O:2; O:4-complex, but showed limited ability to infect 21 of the less frequent Campylobacter serotypes. Pulse field gel electrophoresis (PFGE and restriction endonuclease analysis (REA were used to characterize the phage genomes. Three categories of bacteriophages were observed. I: a genome size of ~194 kb and refractory to digestion with HhaI; II: a genome size of ~140 kb and digestible by HhaI; and III: a genome size undeterminable in PFGE. The categorization of the phages correlated with the host range patterns displayed by the phages. Six phages were subjected to transmission electron microscopy (TEM. They all belonged to the family of Myoviridae. Conclusion We have characterized and identified the host range of 12 Danish Campylobacter phages. Due to their ability to infect the majority of the common serotypes in Denmark we suggest the phages can become an effective

  15. Characterization of Campylobacter phages including analysis of host range by selected Campylobacter Penner serotypes.

    Science.gov (United States)

    Hansen, Vinni Mona; Rosenquist, Hanne; Baggesen, Dorte Lau; Brown, Stanley; Christensen, Bjarke Bak

    2007-10-18

    The predominant food borne pathogen in the western world today is Campylobacter. Campylobacter specific bacteriophages (phages) have been proposed as an alternative agent for reducing the burden of Campylobacter in broilers. One concern in relation to phage biocontrol is the narrow host range often displayed by phages. To identify the potential of phages as a Campylobacter reducing agent we needed to determine their infectivity on a panel of isolates representing the Campylobacter strains found in broilers as well as humans. In this study, Campylobacter phages were isolated from the intestines of broilers and ducks and from abattoir sewage. Twelve phages were investigated to determine their ability to infect the Campylobacter Penner serotypes commonly present in Danish poultry and patients with campylobacteriosis. A total of 89% of the Campylobacter jejuni strains and 14% of the Campylobacter coli strains could be infected by at least one of the bacteriophages. The majority of the phages infected the most common serotypes in Danish broilers (O:1,44; O:2; O:4-complex), but showed limited ability to infect 21 of the less frequent Campylobacter serotypes. Pulse field gel electrophoresis (PFGE) and restriction endonuclease analysis (REA) were used to characterize the phage genomes. Three categories of bacteriophages were observed. I: a genome size of approximately 194 kb and refractory to digestion with HhaI; II: a genome size of approximately 140 kb and digestible by HhaI; and III: a genome size undeterminable in PFGE. The categorization of the phages correlated with the host range patterns displayed by the phages. Six phages were subjected to transmission electron microscopy (TEM). They all belonged to the family of Myoviridae. We have characterized and identified the host range of 12 Danish Campylobacter phages. Due to their ability to infect the majority of the common serotypes in Denmark we suggest the phages can become an effective agent in the effort to reduce

  16. Chemical sensors for breath gas analysis: the latest developments at the Breath Analysis Summit 2013.

    Science.gov (United States)

    Tisch, Ulrike; Haick, Hossam

    2014-06-01

    Profiling the body chemistry by means of volatile organic compounds (VOCs) in the breath opens exciting new avenues in medical diagnostics. Gas sensors could provide ideal platforms for realizing portable, hand-held breath testing devices in the near future. This review summarizes the latest developments and applications in the field of chemical sensors for diagnostic breath testing that were presented at the Breath Analysis Summit 2013 in Wallerfangen, Germany. Considerable progress has been made towards clinically applicable breath testing devices, especially by utilizing chemo-sensitive nanomaterials. Examples of several specialized breath testing applications are presented that are either based on stand-alone nanomaterial-based sensors being highly sensitive and specific to individual breath compounds over others, or on combinations of several highly specific sensors, or on experimental nanomaterial-based sensors arrays. Other interesting approaches include the adaption of a commercially available MOx-based sensor array to indirect breath testing applications, using a sample pre-concentration method, and the development of compact integrated GC-sensor systems. The recent trend towards device integration has led to the development of fully integrated prototypes of point-of-care devices. We describe and compare the performance of several prototypes that are based on different sensing technologies and evaluate their potential as low-cost and readily available next-generation medical devices.

  17. Advancements in mass spectrometry for biological samples: Protein chemical cross-linking and metabolite analysis of plant tissues

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Adam [Iowa State Univ., Ames, IA (United States)

    2015-01-01

    This thesis presents work on advancements and applications of methodology for the analysis of biological samples using mass spectrometry. Included in this work are improvements to chemical cross-linking mass spectrometry (CXMS) for the study of protein structures and mass spectrometry imaging and quantitative analysis to study plant metabolites. Applications include using matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) to further explore metabolic heterogeneity in plant tissues and chemical interactions at the interface between plants and pests. Additional work was focused on developing liquid chromatography-mass spectrometry (LC-MS) methods to investigate metabolites associated with plant-pest interactions.

  18. Teaching of the Microbiological Analysis of Water Using a Computer Simulation Program That Includes Digitalized Color Images.

    Science.gov (United States)

    Fernandez, A.; And Others

    1992-01-01

    Describes microcomputer-based courseware designed for the simulation of the microbiological analysis of drinking water, including digitalized color images. The use of HyperCard is described and evaluation procedures are explained, including evaluation of the learning and of the class. The evaluation questionnaires are appended. (20 references)…

  19. Integrated analysis of seaweed components during seasonal fluctuation by data mining across heterogeneous chemical measurements with network visualization.

    Science.gov (United States)

    Ito, Kengo; Sakata, Kenji; Date, Yasuhiro; Kikuchi, Jun

    2014-01-21

    Biological information is intricately intertwined with several factors. Therefore, comprehensive analytical methods such as integrated data analysis, combining several data measurements, are required. In this study, we describe a method of data preprocessing that can perform comprehensively integrated analysis based on a variety of multimeasurement of organic and inorganic chemical data from Sargassum fusiforme and explore the concealed biological information by statistical analyses with integrated data. Chemical components including polar and semipolar metabolites, minerals, major elemental and isotopic ratio, and thermal decompositional data were measured as environmentally responsive biological data in the seasonal variation. The obtained spectral data of complex chemical components were preprocessed to isolate pure peaks by removing noise and separating overlapping signals using the multivariate curve resolution alternating least-squares method before integrated analyses. By the input of these preprocessed multimeasurement chemical data, principal component analysis and self-organizing maps of integrated data showed changes in the chemical compositions during the mature stage and identified trends in seasonal variation. Correlation network analysis revealed multiple relationships between organic and inorganic components. Moreover, in terms of the relationship between metal group and metabolites, the results of structural equation modeling suggest that the structure of alginic acid changes during the growth of S. fusiforme, which affects its metal binding ability. This integrated analytical approach using a variety of chemical data can be developed for practical applications to obtain new biochemical knowledge including genetic and environmental information.

  20. Method of chemical analysis of silicate rocks (1962)

    International Nuclear Information System (INIS)

    Pouget, R.

    1962-01-01

    A rapid method of analysis for the physical and chemical determination of the major constituents of silicate rocks is described. Water losses at 100 deg. C and losses of volatile elements at 1000 deg. C are estimated after staying in oven for these temperatures, or by mean of a thermo-balance. The determination of silica is made by a double insolubilization with hydrochloric acid on attack solution with sodium carbonate; total iron and aluminium, both with calcium and magnesium, after ammoniacal precipitation of Fe and Al, are determined on the filtration product of silica by titrimetry-photometry of their complexes with EDTA. The alkalis Na and K by flame spectrophotometry, Mn by colorimetry of the permanganate, and Ti by mean of his complex with H 2 O 2 , are determined on fluosulfuric attack solution. Phosphorus is determined by his complex with 'molybdenum blue' on a fluoro-nitro-boric attack solution; iron is estimated by potentiometry, with the help of bichromate on hydrofluoric solution. (author) [fr

  1. Wellbore stability analysis in chemically active shale formations

    Directory of Open Access Journals (Sweden)

    Shi Xiang-Chao

    2016-01-01

    Full Text Available Maintaining wellbore stability involves significant challenges when drilling in low-permeability reactive shale formations. In the present study, a non-linear thermo-chemo-poroelastic model is provided to investigate the effect of chemical, thermal, and hydraulic gradients on pore pressure and stress distributions near the wellbores. The analysis indicates that when the solute concentration of the drilling mud is higher than that of the formation fluid, the pore pressure and the effective radial and tangential stresses decrease, and v. v. Cooling of the lower salinity formation decreases the pore pressure, radial and tangential stresses. Hole enlargement is the combined effect of shear and tensile failure when drilling in high-temperature shale formations. The shear and tensile damage indexes reveal that hole enlargement occurs in the vicinity of the wellbore at an early stage of drilling. This study also demonstrates that shale wellbore stability exhibits a time-delay effect due to changes in the pore pressure and stress. The delay time computed with consideration of the strength degradation is far less than that without strength degradation.

  2. Urine storage under refrigeration preserves the sample in chemical, cellularity and bacteriuria analysis of ACS

    Directory of Open Access Journals (Sweden)

    Karen Cristina Barcellos Ribeiro

    2013-12-01

    Full Text Available INTRODUCTION: The analysis of urine abnormal constituents and sediment (ACS comprises tests of great diagnostic and prognostic value in clinical practice. When the analysis of ACS cannot be performed within two hours after collection, the sample must be preserved in order to avoid pre-analytical interferences. Refrigeration is the most applied technique due to its cost effectiveness. Moreover, it presents fewer inconveniences when compared to chemical preservation. However, changes in ACS may also occur in samples under refrigeration. OBJECTIVE: To analyze the influence of refrigeration at 2 to 8ºC on the storage of urine samples within 24 hours. MATERIAL AND METHOD: A total of 80 urine samples were selected from patients admitted at Universidade Federal de Juiz de Fora (UFJF university hospital, which were tested for ACS at room temperature and stored under refrigeration for 6, 12 and 24 hours. RESULTS: The results showed that refrigeration proved to be effective when compared to samples kept at room temperature, inasmuch as the physical, chemical, microbial and cellularity features were preserved. Nevertheless, crystalluria was present after a 6- hour storage period. CONCLUSION: The tests revealed that cooling preserved cellularity and chemical characteristics of urine samples for up to 12 hours. Nonetheless, the precipitation of crystals was evident in this storage method. Thus, the possible consequences of storing urine samples for ACS test under these conditions should be included in the analysis report.

  3. Chemical Differentiation of Osseous, Dental, and Non-skeletal Materials in Forensic Anthropology using Elemental Analysis.

    Science.gov (United States)

    Zimmerman, Heather A; Meizel-Lambert, Cayli J; Schultz, John J; Sigman, Michael E

    2015-03-01

    Forensic anthropologists are generally able to identify skeletal materials (bone and tooth) using gross anatomical features; however, highly fragmented or taphonomically altered materials may be problematic to identify. Several chemical analysis techniques have been shown to be reliable laboratory methods that can be used to determine if questionable fragments are osseous, dental, or non-skeletal in nature. The purpose of this review is to provide a detailed background of chemical analysis techniques focusing on elemental compositions that have been assessed for use in differentiating osseous, dental, and non-skeletal materials. More recently, chemical analysis studies have also focused on using the elemental composition of osseous/dental materials to evaluate species and provide individual discrimination, but have generally been successful only in small, closed groups, limiting their use forensically. Despite significant advances incorporating a variety of instruments, including handheld devices, further research is necessary to address issues in standardization, error rates, and sample size/diversity. Copyright © 2014 Forensic Science Society. Published by Elsevier Ireland Ltd. All rights reserved.

  4. Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory.

    Science.gov (United States)

    Bao, Junwei Lucas; Zheng, Jingjing; Truhlar, Donald G

    2016-03-02

    Pressure-dependent reactions are ubiquitous in combustion and atmospheric chemistry. We employ a new calibration procedure for quantum Rice-Ramsperger-Kassel (QRRK) unimolecular rate theory within a chemical activation mechanism to calculate the pressure-falloff effect of a radical association with an aromatic ring. The new theoretical framework is applied to the reaction of H with toluene, which is a prototypical reaction in the combustion chemistry of aromatic hydrocarbons present in most fuels. Both the hydrogen abstraction reactions and the hydrogen addition reactions are calculated. Our system-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The new method avoids the need for the usual empirical estimations of the QRRK parameters, and it eliminates the need for variational transition state theory calculations as a function of energy, although in this first application we do validate the falloff curves by comparing SS-QRRK results without tunneling to multistructural microcanonical variational transition state theory (MS-μVT) rate constants without tunneling. At low temperatures, the two approaches agree well with each other, but at high temperatures, SS-QRRK tends to overestimate falloff slightly. We also show that the variational effect is important in computing the energy-resolved rate constants. Multiple-structure anharmonicity, torsional-potential anharmonicity, and high-frequency-mode vibrational anharmonicity are all included in the rate computations, and torsional anharmonicity effects on the density of states are investigated. Branching fractions, which are both temperature- and pressure-dependent (and for which only limited data is available from experiment), are predicted as a function of pressure.

  5. Analysis of the Chemical Representations in Secondary Lebanese Chemistry Textbooks

    Science.gov (United States)

    Shehab, Saadeddine Salim; BouJaoude, Saouma

    2017-01-01

    This study focused on the requirements that chemical representations should meet in textbooks in order to enhance conceptual understanding. Specifically, the purpose of this study was to evaluate the chemical representations that are present in 7 secondary Lebanese chemistry textbooks. To achieve the latter purpose, an instrument adapted from…

  6. Nonradiological chemical pathway analysis and identification of chemicals of concern for environmental monitoring at the Hanford Site

    International Nuclear Information System (INIS)

    Blanton, M.L.; Cooper, A.T.; Castleton, K.J.

    1995-11-01

    Pacific Northwest's Surface Environmental Surveillance Project (SESP) is an ongoing effort tot design, review, and conducted monitoring on and off the Hanford site. Chemicals of concern that were selected are listed. Using modeled exposure pathways, the offsite cancer incidence and hazard quotient were calculated and a retrospective pathway analysis performed to estimate what onsite concentrations would be required in the soil for each chemical of concern and other detected chemicals that would be required to obtain an estimated offsite human-health risk of 1.0E-06 cancer incidence or 1.0 hazard quotient. This analysis indicates that current nonradiological chemical contamination occurring on the site does not pose a significant offsite human-health risk; the highest cancer incidence to the offsite maximally exposed individual was from arsenic (1.76E-10); the highest hazard quotient was chromium(VI) (1.48E-04). The most sensitive pathways of exposure were surfacewater and aquatic food consumption. Combined total offsite excess cancer incidence was 2.09E-10 and estimated hazard quotient was 2.40E-04. Of the 17 identified chemicals of concern, the SESP does not currently (routinely) monitor arsenic, benzo(a)pyrene, bis(2- ethylhexyl)phthalate (BEHP), and chrysene. Only 3 of the chemicals of concern (arsenic, BEHP, chloroform) could actually occur in onsite soil at concern high enough to cause a 1.0E-06 excess cancer incidence or a 1.0 hazard index for a given offsite exposure pathway. During the retrospective analysis, 20 other chemicals were also evaluated; only vinyl chloride and thallium could reach targeted offsite risk values

  7. Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied.

    Science.gov (United States)

    Bai, Shirong; Davis, Michael J; Skodje, Rex T

    2015-11-12

    The sensitivity of kinetic observables is analyzed using a newly developed sum over histories representation of chemical kinetics. In the sum over histories representation, the concentrations of the chemical species are decomposed into the sum of probabilities for chemical pathways that follow molecules from reactants to products or intermediates. Unlike static flux methods for reaction path analysis, the sum over histories approach includes the explicit time dependence of the pathway probabilities. Using the sum over histories representation, the sensitivity of an observable with respect to a kinetic parameter such as a rate coefficient is then analyzed in terms of how that parameter affects the chemical pathway probabilities. The method is illustrated for species concentration target functions in H2 combustion where the rate coefficients are allowed to vary over their associated uncertainty ranges. It is found that large sensitivities are often associated with rate limiting steps along important chemical pathways or by reactions that control the branching of reactive flux.

  8. Ca analysis: An Excel based program for the analysis of intracellular calcium transients including multiple, simultaneous regression analysis☆

    Science.gov (United States)

    Greensmith, David J.

    2014-01-01

    Here I present an Excel based program for the analysis of intracellular Ca transients recorded using fluorescent indicators. The program can perform all the necessary steps which convert recorded raw voltage changes into meaningful physiological information. The program performs two fundamental processes. (1) It can prepare the raw signal by several methods. (2) It can then be used to analyze the prepared data to provide information such as absolute intracellular Ca levels. Also, the rates of change of Ca can be measured using multiple, simultaneous regression analysis. I demonstrate that this program performs equally well as commercially available software, but has numerous advantages, namely creating a simplified, self-contained analysis workflow. PMID:24125908

  9. Inorganic chemical analysis of environmental materials—A lecture series

    Science.gov (United States)

    Crock, J.G.; Lamothe, P.J.

    2011-01-01

    At the request of the faculty of the Colorado School of Mines, Golden, Colorado, the authors prepared and presented a lecture series to the students of a graduate level advanced instrumental analysis class. The slides and text presented in this report are a compilation and condensation of this series of lectures. The purpose of this report is to present the slides and notes and to emphasize the thought processes that should be used by a scientist submitting samples for analyses in order to procure analytical data to answer a research question. First and foremost, the analytical data generated can be no better than the samples submitted. The questions to be answered must first be well defined and the appropriate samples collected from the population that will answer the question. The proper methods of analysis, including proper sample preparation and digestion techniques, must then be applied. Care must be taken to achieve the required limits of detection of the critical analytes to yield detectable analyte concentration (above "action" levels) for the majority of the study's samples and to address what portion of those analytes answer the research question-total or partial concentrations. To guarantee a robust analytical result that answers the research question(s), a well-defined quality assurance and quality control (QA/QC) plan must be employed. This QA/QC plan must include the collection and analysis of field and laboratory blanks, sample duplicates, and matrix-matched standard reference materials (SRMs). The proper SRMs may include in-house materials and/or a selection of widely available commercial materials. A discussion of the preparation and applicability of in-house reference materials is also presented. Only when all these analytical issues are sufficiently addressed can the research questions be answered with known certainty.

  10. Chemical analysis and antioxidant activity in vitro of polysaccharides extracted from Boletus edulis.

    Science.gov (United States)

    Zhang, Anqiang; Xiao, Nannan; He, Pengfei; Sun, Peilong

    2011-12-01

    Boletus edulis is a well-known delicious mushroom. In this study, three crude polysaccharides (BEPF30, BEPF60 and BEPF80) were isolated from the fruiting bodies of B. edulis with boiling water. Chemical and physical characteristics of the three crude polysaccharides were investigated by the combination of chemical and instrumental analysis methods. Their antioxidant activities were investigated in vitro systems including hydroxyl assay, superoxide radical assay, reducing power and chelating activity. Among these three polysaccharides, BEPF60 showed more significant reducing power and chelating activity; and highest inhibitory effects on superoxide radical and hydroxyl radical. These results indicated that polysaccharides extracted from B. edulis might be employed as ingredients in healthy and functional food to alleviate the oxidative stress. Copyright © 2011 Elsevier B.V. All rights reserved.

  11. Understanding Land Use Impacts on Groundwater Quality Using Chemical Analysis

    Science.gov (United States)

    Nitka, A.; Masarik, K.; Masterpole, D.; Johnson, B.; Piette, S.

    2017-12-01

    Chippewa County, in western Wisconsin, has a unique historical set of groundwater quality data. The county conducted extensive groundwater sampling of private wells in 1985 (715 wells) and 2007 (800 wells). In 2016, they collaborated with UW-Extension and UW-Stevens Point to evaluate the current status of groundwater quality in Chippewa County by sampling of as many of the previously studied wells as possible. Nitrate was a primary focus of this groundwater quality inventory. Of the 744 samples collected, 60 were further analyzed for chemical indicators of agricultural and septic waste, two major sources of nitrate contamination. Wells for nitrate source analysis were selected from the 2016 participants based upon certain criteria. Only wells with a Wisconsin Unique Well Number were considered to ensure well construction information was available. Next, an Inverse Distance Weighting tool in ESRI ArcMap was used to assign values categorizing septic density. Two-thirds of the wells were selected in higher density areas and one-third in lower density areas. Equally prioritized was an even distribution of nitrate - N concentrations, with 28 of the wells having nitrate - N concentrations higher than the drinking water standard of 10 mg/L and 32 wells with concentrations between 2 and 10 mg/L. All wells with WUWN and nitrate - N concentrations greater than 20 mg/L were selected. The results of the nitrate source analyses will aid in determining temporal changes and spatial relationships of groundwater quality to soils, geology and land use in Chippewa County.

  12. Analysis of the influence of chemical composition and temperature on mechanical properties of superalloys NIMONIC 80A

    Directory of Open Access Journals (Sweden)

    R. Sunulahpašić

    2014-01-01

    Full Text Available Superalloys Nimonic 80A is a wrought nickel base alloy (min. 65 % Ni and chromium (20 %, with minor additions of carbon, cobalt and iron, as well as major alloying elements of aluminum (1 to 1,8 % and titanium (1,8 to 2,7 %. Chemical composition of the alloy Nimonic 80A has a dominant influence on its mechanical and technological properties. Increasing of the temperature also has a large influence on the mechanical properties of superalloy Nimonic 80A Investigations which were carried out have included chemical testing and testing of mechanical properties of superalloy Nimonic 80A at room and higher temperatures. Regression analysis was done on the base of chemical analyses and results of mechanical properties. The results of regression analysis are equations by which on the basis of known chemical composition, ie content of main alloying elements Al, Ti and Co, the mechanical properties of materials at room and higher temperatures can be predicted.

  13. Meta-Analysis of the Chemical and Non-Chemical Stressors Affecting Childhood Obesity?

    Science.gov (United States)

    Background: Worldwide, approximately 42 million children under the age of 5 years are considered overweight or obese. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-ch...

  14. Analysis of very thin organic fibres by means of small spots electron spectroscopy for chemical analysis

    International Nuclear Information System (INIS)

    Daiser, S.M.; Cormia, R.D.; Scharpen, L.

    1985-01-01

    ESCA analysis of very thin organic fibres as small as a few micrometer diameter is now possible using the small spot X-ray capability of the SSX100 ESCA system. The sampling method involves suspending the material in the SSX100 chamber, and illuminating it with a monochromatized X-ray beam of 150-300 μm diameter. From the small spot ESCA spectra one can determine the chemical character of the organic layer and the thickness. (Author)

  15. Association rule mining data for census tract chemical exposure analysis

    Data.gov (United States)

    U.S. Environmental Protection Agency — Chemical concentration, exposure, and health risk data for U.S. census tracts from National Scale Air Toxics Assessment (NATA). This dataset is associated with the...

  16. Analysis and Performance Evaluations of Chemical Agent Resistant Coating Systems

    National Research Council Canada - National Science Library

    Escarsega, John

    2001-01-01

    ...% reduction in volatile organic compounds (VOCs) compared to the solvent-based (SOL) system. Compared to the solvent-based formulation, the WR polyurethane maintains required chemical agent resistance and exhibits superior properties...

  17. Advances in explosives analysis--part I: animal, chemical, ion, and mechanical methods.

    Science.gov (United States)

    Brown, Kathryn E; Greenfield, Margo T; McGrane, Shawn D; Moore, David S

    2016-01-01

    The number and capability of explosives detection and analysis methods have increased substantially since the publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245-246, 2009). Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. This part, Part I, reviews methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. Part II will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.

  18. Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

    Directory of Open Access Journals (Sweden)

    José A. Centeno

    2014-01-01

    Full Text Available Background: The majority of modern war wounds are characterized by high-energy blast injuries containing a wide range of retained foreign materials of a metallic or composite nature. Health effects of retained fragments range from local or systemic toxicities to foreign body reactions or malignancies, and dependent on the chemical composition and corrosiveness of the fragments in vivo. Information obtained by chemical analysis of excised fragments can be used to guide clinical decisions regarding the need for fragment removal, to develop therapeutic interventions, and to better anticipate future medical problems from retained fragment related injuries. In response to this need, a new U.S Department of Defense (DoD directive has been issued requiring characterization of all removed fragments to provide a database of fragment types occurring in combat injuries. Objectives: The objective of this study is to determine the chemical composition of retained embedded fragments removed from injured military personnel, and to relate results to histological findings in tissue adjacent to fragment material. Methods: We describe an approach for the chemical analysis and characterization of retained fragments and adjacent tissues, and include case examples describing fragments containing depleted uranium (DU, tungsten (W, lead (Pb, and non-metal foreign bodies composed of natural and composite materials. Fragments obtained from four patients with penetrating blast wounds to the limbs were studied employing a wide range of chemical and microscopy techniques. Available adjacent tissues from three of the cases were histologically, microscopically, and chemically examined. The physical and compositional properties of the removed foreign material surfaces were examined with energy dispersive x-ray fluorescence spectrometry (EDXRF, scanning electron microscopy (SEM, laser ablation inductively-coupled plasma mass-spectrometry (LA-ICP-MS, and confocal laser Raman

  19. Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

    Science.gov (United States)

    Centeno, José A.; Rogers, Duane A.; van der Voet, Gijsbert B.; Fornero, Elisa; Zhang, Lingsu; Mullick, Florabel G.; Chapman, Gail D.; Olabisi, Ayodele O.; Wagner, Dean J.; Stojadinovic, Alexander; Potter, Benjamin K.

    2014-01-01

    Background: The majority of modern war wounds are characterized by high-energy blast injuries containing a wide range of retained foreign materials of a metallic or composite nature. Health effects of retained fragments range from local or systemic toxicities to foreign body reactions or malignancies, and dependent on the chemical composition and corrosiveness of the fragments in vivo. Information obtained by chemical analysis of excised fragments can be used to guide clinical decisions regarding the need for fragment removal, to develop therapeutic interventions, and to better anticipate future medical problems from retained fragment related injuries. In response to this need, a new U.S Department of Defense (DoD) directive has been issued requiring characterization of all removed fragments to provide a database of fragment types occurring in combat injuries. Objectives: The objective of this study is to determine the chemical composition of retained embedded fragments removed from injured military personnel, and to relate results to histological findings in tissue adjacent to fragment material. Methods: We describe an approach for the chemical analysis and characterization of retained fragments and adjacent tissues, and include case examples describing fragments containing depleted uranium (DU), tungsten (W), lead (Pb), and non-metal foreign bodies composed of natural and composite materials. Fragments obtained from four patients with penetrating blast wounds to the limbs were studied employing a wide range of chemical and microscopy techniques. Available adjacent tissues from three of the cases were histologically, microscopically, and chemically examined. The physical and compositional properties of the removed foreign material surfaces were examined with energy dispersive x-ray fluorescence spectrometry (EDXRF), scanning electron microscopy (SEM), laser ablation inductively-coupled plasma mass-spectrometry (LA-ICP-MS), and confocal laser Raman

  20. Chemical Pressure Maps of Molecules and Materials: Merging the Visual and Physical in Bonding Analysis.

    Science.gov (United States)

    Osman, Hussien H; Salvadó, Miguel A; Pertierra, Pilar; Engelkemier, Joshua; Fredrickson, Daniel C; Recio, J Manuel

    2018-01-09

    The characterization of bonding interactions in molecules and materials is one of the major applications of quantum mechanical calculations. Numerous schemes have been devised to identify and visualize chemical bonds, including the electron localization function, quantum theory of atoms in molecules, and natural bond orbital analysis, whereas the energetics of bond formation are generally analyzed in qualitative terms through various forms of energy partitioning schemes. In this Article, we illustrate how the chemical pressure (CP) approach recently developed for analyzing atomic size effects in solid state compounds provides a basis for merging these two approaches, in which bonds are revealed through the forces of attraction and repulsion acting between the atoms. Using a series of model systems that include simple molecules (H 2 , CO 2 , and S 8 ), extended structures (graphene and diamond), and systems exhibiting intermolecular interactions (ice and graphite), as well as simple representatives of metallic and ionic bonding (Na and NaH, respectively), we show how CP maps can differentiate a range of bonding phenomena. The approach also allows for the partitioning of the potential and kinetic contributions to the interatomic interactions, yielding schemes that capture the physical model for the chemical bond offered by Ruedenberg and co-workers.

  1. Analysis of retted and non retted flax fibres by chemical and enzymatic means

    NARCIS (Netherlands)

    Mooney, C.; Stolle-Smits, T.; Schols, H.A.; Jong, de E.J.

    2001-01-01

    Flax fibres (Linum usitatissimum L.) were subjected to chemical and enzymatic analysis in order to determine the compositional changes brought about by the retting process and also to determine the accessibility of the fibre polymers to enzymatic treatment. Chemical analysis involved subjecting both

  2. Chemical structure of wood charcoal by infrared spectroscopy and multivariate analysis

    Science.gov (United States)

    Nicole Labbe; David Harper; Timothy Rials; Thomas Elder

    2006-01-01

    In this work, the effect of temperature on charcoal structure and chemical composition is investigated for four tree species. Wood charcoal carbonized at various temperatures is analyzed by mid infrared spectroscopy coupled with multivariate analysis and by thermogravimetric analysis to characterize the chemical composition during the carbonization process. The...

  3. Hyperplane distance neighbor clustering based on local discriminant analysis for complex chemical processes monitoring

    International Nuclear Information System (INIS)

    Lu, Chunhong; Xiao, Shaoqing; Gu, Xiaofeng

    2014-01-01

    The collected training data often include both normal and faulty samples for complex chemical processes. However, some monitoring methods, such as partial least squares (PLS), principal component analysis (PCA), independent component analysis (ICA) and Fisher discriminant analysis (FDA), require fault-free data to build the normal operation model. These techniques are applicable after the preliminary step of data clustering is applied. We here propose a novel hyperplane distance neighbor clustering (HDNC) based on the local discriminant analysis (LDA) for chemical process monitoring. First, faulty samples are separated from normal ones using the HDNC method. Then, the optimal subspace for fault detection and classification can be obtained using the LDA approach. The proposed method takes the multimodality within the faulty data into account, and thus improves the capability of process monitoring significantly. The HDNC-LDA monitoring approach is applied to two simulation processes and then compared with the conventional FDA based on the K-nearest neighbor (KNN-FDA) method. The results obtained in two different scenarios demonstrate the superiority of the HDNC-LDA approach in terms of fault detection and classification accuracy

  4. 41 CFR 102-80.105 - What information must be included in an equivalent level of safety analysis?

    Science.gov (United States)

    2010-07-01

    ... engineer. The analysis should include a narrative discussion of the features of the building structure... and location of fuel items, space layout, building construction, openings and ventilation, suppression capability, detection time, occupant notification, occupant reaction time, occupant mobility, and means of...

  5. Chemical Analysis of Tire Traces in Traffic Accidents Investigation

    Directory of Open Access Journals (Sweden)

    Line Gueissaz

    2015-01-01

    Full Text Available The aim of the forensic investigation of traffic accidents is to help establish the nature and/or the circumstances of the event. This might be done with the purpose of determining the legal responsibilities of each person involved or to provide families, with a reconstruction of the events, to help understand why their relatives were injured or killed. A methodology for the comparison of chemical profiles of tire traces and tire tread samples obtained by pyrolysis-gas chromatography/mass spectrometry has been developed. Chemical profiles are represented by relative abundances of 86 compounds. The variability of the tread within and between 12 tires was assessed. Considering the level of the source as "brand and model" the intra-variability was found to be smaller than the inter-variability, leading to the complete discrimination of the 12 tires of the sample set. Braking tests were carried out on a racetrack in order to produce tire traces which origin was known. The results obtained with a supervised classification method showed that more than 94% of the replicates of the traces were correctly assigned to the class membership (i.e., brand and model of the tire at their origin. These results support that the chemical profile of one trace does not differ from the chemical profile of the tire at its origin but differs generally from the other chemical profiles of the sample set.

  6. Modular verification of chemical reaction network encodings via serializability analysis

    Science.gov (United States)

    Lakin, Matthew R.; Stefanovic, Darko; Phillips, Andrew

    2015-01-01

    Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a “commit reaction” that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of “extra tolerance”, which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited. PMID:27325906

  7. Modular verification of chemical reaction network encodings via serializability analysis.

    Science.gov (United States)

    Lakin, Matthew R; Stefanovic, Darko; Phillips, Andrew

    2016-06-13

    Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a "commit reaction" that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of "extra tolerance", which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited.

  8. Chemical analysis of a new kinematically identified stellar group .

    Science.gov (United States)

    Ženovienė, R.; Tautvaišienė, G.; Nordström, B.; Stonkutė, E.

    We have started a study of chemical composition of a new kinematically identified group of stars in the Galactic disc. Based on dynamical properties those stars were suspected to belong to a disrupted satellite. The main atmospheric parameters and chemical composition were determined for thirty-two stars from high resolution spectra obtained at the Nordic Optical Telescope with the spectrograph FIES. In this contribution the preliminary results of chemical composition study are presented. The metallicity of the investigated stars lie in the interval -0.2 < [Fe/H] < -0.6, their abundances of oxygen and alpha-elements are overabundant in comparison to the Galactic thin disc dwarfs at this metallicity range. This provides further evidences of their common and possibly extragalactic origin.

  9. Analysis of forward and inverse problems in chemical dynamics and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rabitz, H. [Princeton Univ., NJ (United States)

    1993-12-01

    The overall scope of this research concerns the development and application of forward and inverse analysis tools for problems in chemical dynamics and chemical kinetics. The chemical dynamics work is specifically associated with relating features in potential surfaces and resultant dynamical behavior. The analogous inverse research aims to provide stable algorithms for extracting potential surfaces from laboratory data. In the case of chemical kinetics, the focus is on the development of systematic means to reduce the complexity of chemical kinetic models. Recent progress in these directions is summarized below.

  10. Photoacoustic physio-chemical analysis and its implementation in deep tissue with a catheter setup

    Science.gov (United States)

    Xu, Guan; Meng, Zhou-xian; Lin, Jian-die D.; Cheng, Qian; Wang, Xueding

    2015-03-01

    Photoacoustic (PA) measurements encode the information associated with both physical microstructures and chemical contents in biological tissues. A two-dimensional physio-chemical spectrogram (PCS) can be formulated by combining the power spectra of PA signals acquired at a series of optical wavelengths. The analysis of PCS, or namely PA physio-chemical analysis (PAPCA), enables the quantification of the relative concentrations and the spatial distributions of a variety of chemical components in the tissue. This study validated the feasibility of PAPCA in characterizing liver conditions during the progression of non-alcoholic fatty liver disease. A catheter based setup facilitating measurement in deep tissues was also tested.

  11. Chemical diversity analysis of Tunisian Lawsonia inermis L ...

    African Journals Online (AJOL)

    Lawsonia inermis L. (commonly known as henna) is a cosmetic and medicinal plant cultivated from North-east Africa to India. The objective of this study was to evaluate the diversity of 25 L. inermis Tunisian populations, based on chemical markers. The populations were collected from the region of Gabès. The leaves and ...

  12. Portfolio Assessment on Chemical Reactor Analysis and Process Design Courses

    Science.gov (United States)

    Alha, Katariina

    2004-01-01

    Assessment determines what students regard as important: if a teacher wants to change students' learning, he/she should change the methods of assessment. This article describes the use of portfolio assessment on five courses dealing with chemical reactor and process design during the years 1999-2001. Although the use of portfolio was a new…

  13. Analysis of physical and chemical composition of honey samples in ...

    African Journals Online (AJOL)

    The study analyzed the physical and chemical compositions of seven honey samples, which were obtained from selected markets in Ibadan metropolis. Seven samples of honey were obtained namely from sample A (Forestry honey Ibadan), Sample B (Pure honey), Sample C (Mr. honey), Sample D (Taraba honey), sample ...

  14. Chemical analysis of the Assale (Ethiopia) rock salt deposit | Binega ...

    African Journals Online (AJOL)

    contaminants) elements found in the Assale (Ethiopia) rock salt. The results showed that the rock salt is found to be the best natural common salt. This was proved by comparison with the chemical requirement and trace elements in common ...

  15. Chemical analysis and biological potential of Valerian root as used ...

    African Journals Online (AJOL)

    The herb prepared from this plant was studied to determine the chemical composition of its essential oil, carried out phytochemical screening and biological activities on ... rat paw oedema model comparable to aspirin, indicating anti-inflammatory activity; but lacked analgesic activity on the acetic acid-induced writhing test.

  16. Chemical constituent analysis of the crown-of-thorns starfish ...

    African Journals Online (AJOL)

    The crown-of-thorns starfish Acanthaster planci is a major management issue on coral reefs and the exploring of effective control methods to the starfish is an interesting goal. In this study, the chemical constituent of the starfish were analyzed and the toxicity of the starfish was tested when it was used as mice diet.

  17. HBCUs and Chemical Engineering: Analysis of Baccalaureate Programs

    Science.gov (United States)

    Reeves, Sheena; Thompson, Audie

    2018-01-01

    Historically Black Colleges and Universities (HBCUs) provide significant STEM degrees to African Americans. Initiatives toward increasing diversity in STEM fields have been implemented by government and industry leaders. HBCUs annually award over 20% of all African American baccalaureate chemical engineering degrees. This speaks volume to the…

  18. Nanoscale chemical analysis and imaging of solid oxide cells

    DEFF Research Database (Denmark)

    Hauch, Anne; Bowen, Jacob R.; Kuhn, Luise Theil

    2008-01-01

    of the interface between the dense ceramic electrolyte and the porous metallic/ceramic hydrogen electrode of an SOC using focused ion beam milling. We show combined TEM/scanning TEM/energy-dispersive spectroscopy investigations of the nanostructure at the TPBs in a high-performance SOC. The chemical composition...

  19. Analysis Of Chemical Bonding Using Ab Initio Valence Bond Theory

    NARCIS (Netherlands)

    Engelberts, J.J.

    2017-01-01

    In this thesis, theoretical chemical research is presented in which the Valence Bond (VB) Theory plays a central role. For the last three chapters, the VB method is used, in combination with Magnetically Induced Ring Currents, to analyze the aromaticity of several conjugated molecules. The

  20. Chemical diversity analysis of Tunisian Lawsonia inermis L ...

    African Journals Online (AJOL)

    Administrator

    2011-06-08

    Jun 8, 2011 ... Lawsonia inermis L. (commonly known as henna) is a cosmetic and medicinal plant cultivated from. North-east Africa to India. The objective of this study was to evaluate the diversity of 25 L. inermis. Tunisian populations, based on chemical markers. The populations were collected from the region of. Gabès ...

  1. Comparative Analysis on Chemical Composition of Bentonite Clays ...

    African Journals Online (AJOL)

    2017-09-12

    ) contents of bentonite from. Tango (GT) (49.87 wt%, .... MgO. 2.08. 2.08. K. 2. O. 1.60. 1.76. TiO. 2. 0.94. 0.87. P. 2. O. 5. 1.06. 1.01. Fig 1: Chemical Compositions of the Bentonite Samples Analysed by XRF. Fourier transform ...

  2. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol ...

    Indian Academy of Sciences (India)

    2017-06-20

    Jun 20, 2017 ... It was found that the optimized parameters thus obtained are almost in agreement with the experimental ones. A detailed ... The global reactivity descriptors like chemical potential, electronegativity, hardness, softness and electrophilicity index, have been calculated using DFT. The thermodynamic ...

  3. availability analysis of chemicals for water treatment: an application ...

    African Journals Online (AJOL)

    NIJOTECH

    The time horizon of the model is between 1 and 5 years. Estimates of future demands and supplies of chemicals and the associated costs are used as endogenous and exogenous parameters in the model. The model should assist water utility decision makers during current and subsequent periods in order to determine an.

  4. ASTP chemical and microbiological analysis of potable water

    Science.gov (United States)

    Sauer, R. L.; Leslie, S. A.

    1976-01-01

    The Apollo-Soyuz Test Project procedures for potable water system servicing and the results of preflight and postflight chemical and microbiological analyses of the water are discussed. Tables show results of the analyses. The effectiveness of the water system is evaluated.

  5. Chemical and Microbiological Analysis of Certain Water Sources and Industrial Wastewater Samples in Dakahlia Governorate

    International Nuclear Information System (INIS)

    El-Fadaly, H.; El-Defrawy, M.M.; El-Zawawy, F.; Makia, D.

    1999-01-01

    The chemical analysis included quantitative measurement of electrical conductivity, alkalinity , hardness sulphate, ph, total dissolved solids, chloride, as well as dissolved oxygen was carried out. The microbiological examination for different water sources and industrial wastewater samples was also conducted. some of heavy metals, Co 2+ Cu 2+ Fe 3+ and Mn 2+ were determined in fresh water, while other metals, such as Cr 6+ , Co 2+ , Zn 2+ and Ni 2+ were measured in industrial wastewater. Results of the chemical analysis showed that all measured parameters were found within the limitation either national or international law, except some samples which showed higher values than the permissible limits for some measured parameters. The microbiological analysis exhibited presence of yeasts, fungi and bacteria. Most bacterial isolates were short rod, spore formers as well as coccoid shaped bacteria. The efficiency of water treatment process on the reduction of microbial load was also calculated. Regarding the pathogenic bacteria, data showed that neither water samples nor industrial wastewater contain pathogens when using specific cultivation media for the examination. Furthermore, data proved the possibility of recycling of the tested industrial wastewater on which some microorganisms can grow. Data showed that the percent of heavy metals removal can reach to more than 70% in some cases as a result to bacterial treatment of industrial wastewater

  6. Final report on the sampling and analysis of sediment cores from the L-Area oil and chemical basin

    Energy Technology Data Exchange (ETDEWEB)

    1985-08-01

    Nine vibracores were collected in the L-Area oil and chemical basin (904-83G) during late March and early April 1985. These cores were collected for analysis of the sludge on the basin floor and the underlying sediment. Several different field and laboratory analyses were performed on each three inch segment of all the cores. These included: (1) Sediment characterization; (2) Percent moisture; (3) Dry weight; (4) Spectral gamma analysis; (5) Gross alpha and beta analysis. Detailed chemical analysis were measured on selected intervals of 2 cores (LBC-5 and 6) for complete chemical characterization of the sediments. This sampling program was conducted to provide information so that a closure plan for the basin could be developed. This report describes the methods employed during the project and provide a hard copy of the analytical results from the sample analyses. Included in the appendices are copies of all field and laboratory notes taken during the project and copies of the gas chromatograms for the petroleum hydrocarbon analysis. All chemical results were also submitted on a 5-inch floppy disk.

  7. Numerical investigation of the pulsed NF3 + H2 chemical laser using a model which includes rotational relaxation and semi-classical laser equations

    International Nuclear Information System (INIS)

    Creighton, J.R.

    1975-01-01

    Waveforms and population distributions have been calculated by a numerical model and compared with experiment for an electric-discharge-initiated, pulsed NF 3 + H 2 chemical laser. The model treats each vibrational-rotational state separately, allowing rotational relaxation between adjacent states as well as vibrational relaxation and lasing according to P-branch selection rules. Calculated waveforms agree with experiment and show several features not seen when rotational equilibrium is assumed: simultaneous lasing on many transitions, cascade behavior, spikes due to laser relaxation oscillations, non-Boltzmann rotational distributions, and ''hole burning'' in the population distributions. The calculations give insight into the physical phenomena governing the shape and duration of the waveforms. The effect of varying certain parameters, relaxation rates, temperature, pressure, and diluents, is studied. Best fit to experimental waveforms is obtained when the rotational relaxation rate and collisional line broadening rate are approximately equal at about 10 times the hard sphere collision rate. The IXION computer code, developed for these calculations, is described in detail. In addition, an analytic model is presented which accounts for major features of the total (all transitions) output waveform of the laser assuming rotational equilibrium, a steady state laser model, and constant temperature. A second computer code, MINOTAR, was developed as a general purpose chemical kinetics code. It verifies the analytic model and extends the results to adiabatic reactions where the temperature varies, and can yield waveforms using the assumptions of rotational equilibrium and a steady state laser. The MINOTAR code, being general, can also be used for chemical kinetics problems such as air pollution and combustion

  8. A large scale analysis of information-theoretic network complexity measures using chemical structures.

    Directory of Open Access Journals (Sweden)

    Matthias Dehmer

    Full Text Available This paper aims to investigate information-theoretic network complexity measures which have already been intensely used in mathematical- and medicinal chemistry including drug design. Numerous such measures have been developed so far but many of them lack a meaningful interpretation, e.g., we want to examine which kind of structural information they detect. Therefore, our main contribution is to shed light on the relatedness between some selected information measures for graphs by performing a large scale analysis using chemical networks. Starting from several sets containing real and synthetic chemical structures represented by graphs, we study the relatedness between a classical (partition-based complexity measure called the topological information content of a graph and some others inferred by a different paradigm leading to partition-independent measures. Moreover, we evaluate the uniqueness of network complexity measures numerically. Generally, a high uniqueness is an important and desirable property when designing novel topological descriptors having the potential to be applied to large chemical databases.

  9. Modeling and analysis of time-dependent processes in a chemically reactive mixture

    Science.gov (United States)

    Ramos, M. P.; Ribeiro, C.; Soares, A. J.

    2018-01-01

    In this paper, we study the propagation of sound waves and the dynamics of local wave disturbances induced by spontaneous internal fluctuations in a reactive mixture. We consider a non-diffusive, non-heat conducting and non-viscous mixture described by an Eulerian set of evolution equations. The model is derived from the kinetic theory in a hydrodynamic regime of a fast chemical reaction. The reactive source terms are explicitly computed from the kinetic theory and are built in the model in a proper way. For both time-dependent problems, we first derive the appropriate dispersion relation, which retains the main effects of the chemical process, and then investigate the influence of the chemical reaction on the properties of interest in the problems studied here. We complete our study by developing a rather detailed analysis using the Hydrogen-Chlorine system as reference. Several numerical computations are included illustrating the behavior of the phase velocity and attenuation coefficient in a low-frequency regime and describing the spectrum of the eigenmodes in the small wavenumber limit.

  10. Recent Progress on Labfit: a Multispectrum Analysis Program for Fitting Lineshapes Including the Htp Model and Temperature Dependence

    Science.gov (United States)

    Cich, Matthew J.; Guillaume, Alexandre; Drouin, Brian; Benner, D. Chris

    2017-06-01

    Multispectrum analysis can be a challenge for a variety of reasons. It can be computationally intensive to fit a proper line shape model especially for high resolution experimental data. Band-wide analyses including many transitions along with interactions, across many pressures and temperatures are essential to accurately model, for example, atmospherically relevant systems. Labfit is a fast multispectrum analysis program originally developed by D. Chris Benner with a text-based interface. More recently at JPL a graphical user interface was developed with the goal of increasing the ease of use but also the number of potential users. The HTP lineshape model has been added to Labfit keeping it up-to-date with community standards. Recent analyses using labfit will be shown to demonstrate its ability to competently handle large experimental datasets, including high order lineshape effects, that are otherwise unmanageable.

  11. CHEMICAL ANALYSIS OF DENSE-GAS EXTRACTS FROM LIME FLOWERS

    Directory of Open Access Journals (Sweden)

    Demyanenko DV

    2015-04-01

    Full Text Available The purpose of this work was to make qualitative and quantitative analysis of phenolic biologically active substances (BAS in the extracts produced from lime flowers with condensed gases, using method of high-performance liquid chromatography (HPLC. Materials and methods: materials for this study were the extracts obtained by consequent processing of the herbal drug and marcs thereof with various condensed gases: difluorochloromethane (Freon R22, difluoromethane (Freon R32, azeotropic mixture of difluoromethane with pentafluoroethane (Freon 410A and freon-ammonium mixture. Extracts obtained with the latter were subjected to further fractionation by liquidliquid separation into hexane, chloroform, ethyl acetate and aqueous-alcohol phases. Besides, the supercritical СО2 extract, obtained from the herbal drug under rather strong conditions (at temperature 60°С and pressure 400 bar, was studied in our previous research. Presence of phenolic BAS and their quantity in the researched samples were determined by method of HPLC with UVspectrometric detection. Results and discussion: It has been found that Freon R22 extracted trace amounts of rutin from lime flowers – its content was only 0.08% of the total extract weight. On the other hand, Freons R32 and R410А showed good selectivity to moderately polar BAS of lime flowers (derivatives of flavonoids and hydroxycinnamic acids: in particular, the extract obtained with freon R32 contained about 1.3% of the total phenolic substances, and it was the only one of the investigated condensed gases used by us which took the basic flavonoid of lime flowers tiliroside – its content was 0.42% of extract weight. Also Freons R32 and R410А were able to withdraw another compound dominating among phenolic substances in the yielded extracts. Its quantity was rather noticeable – up to 0.87% of extract weight. This substance was not identified by existing database, but its UV-spectrum was similar to those of

  12. Nontargeted nuclear magnetic resonance (NMR) analysis to detect hazardous substances including methanol in unrecorded alcohol from Novosibirsk, Russia

    OpenAIRE

    Hausler, Thomas; Okaru,  Alex O.; Neufeld, Maria; Rehm, Jürgen; Kuballa, Thomas; Luy, Burkhard; Lachenmeier, Dirk W.

    2016-01-01

    Nuclear magnetic resonance (NMR) spectroscopy was applied to the analysis of alcoholic products in the context of health and safety control. A total of 86 samples of unrecorded alcohol were collected in Novosibirsk and nearby cities in Russia. Sampling was based on interviews with alcohol dependent patients, and unrecorded alcohol thus defined included illegally or informally produced alcoholic products (e.g., counterfeit or home-made alcoholic beverages) or surrogate alcohol in the form of c...

  13. Verification of chemical composition of commercially available propolis extracts by gas chromatography-mass spectrometry analysis.

    Science.gov (United States)

    Czyżewska, Urszula; Konończuk, Joanna; Teul, Joanna; Drągowski, Paweł; Pawlak-Morka, Renata; Surażyński, Arkadiusz; Miltyk, Wojciech

    2015-05-01

    Propolis is a resin that is collected by honeybees from various plant sources. Due to its pharmacological properties, it is used in commercial production of nutritional supplements in pharmaceutical industry. In this study, gas chromatography-mass spectrometry was applied for quality control analysis of the three commercial specimens containing aqueous-alcoholic extracts of bee propolis. More than 230 constituents were detected in analyzed products, including flavonoids, chalcones, cinnamic acids and their esters, phenylpropenoid glycerides, and phenylpropenoid sesquiterpenoids. An allergenic benzyl cinnamate ester was also identified in all tested samples. This analytical method allows to evaluate biological activity and potential allergenic components of bee glue simultaneously. Studies on chemical composition of propolis samples may provide new approach to quality and safety control analysis in production of propolis supplementary specimens.

  14. Chemical Analysis of the Herbal Medicine Salviae miltiorrhizae Radix et Rhizoma (Danshen

    Directory of Open Access Journals (Sweden)

    Hanqing Pang

    2016-01-01

    Full Text Available Radix Salviae miltiorrhizae et Rhizoma, known as Danshen in China, is one of the most popular traditional Chinese medicines. Recently, there has been increasing scientific attention on Danshen for its remarkable bioactivities, such as promoting blood circulation, removing blood stasis, and clearing away heat. This review summarized the advances in chemical analysis of Danshen and its preparations since 2009. Representative established methods were reviewed, including spectroscopy, thin layer chromatography, gas chromatography, liquid chromatography (LC, liquid chromatography-mass spectrometry (LC-MS, capillary electrophoresis, electrochemistry, and bioanalysis. Especially the analysis of polysaccharides in Danshen was discussed for the first time. Some proposals were also put forward to benefit quality control of Danshen.

  15. Electric propulsion reliability: Statistical analysis of on-orbit anomalies and comparative analysis of electric versus chemical propulsion failure rates

    Science.gov (United States)

    Saleh, Joseph Homer; Geng, Fan; Ku, Michelle; Walker, Mitchell L. R.

    2017-10-01

    With a few hundred spacecraft launched to date with electric propulsion (EP), it is possible to conduct an epidemiological study of EP's on orbit reliability. The first objective of the present work was to undertake such a study and analyze EP's track record of on orbit anomalies and failures by different covariates. The second objective was to provide a comparative analysis of EP's failure rates with those of chemical propulsion. Satellite operators, manufacturers, and insurers will make reliability- and risk-informed decisions regarding the adoption and promotion of EP on board spacecraft. This work provides evidence-based support for such decisions. After a thorough data collection, 162 EP-equipped satellites launched between January 1997 and December 2015 were included in our dataset for analysis. Several statistical analyses were conducted, at the aggregate level and then with the data stratified by severity of the anomaly, by orbit type, and by EP technology. Mean Time To Anomaly (MTTA) and the distribution of the time to (minor/major) anomaly were investigated, as well as anomaly rates. The important findings in this work include the following: (1) Post-2005, EP's reliability has outperformed that of chemical propulsion; (2) Hall thrusters have robustly outperformed chemical propulsion, and they maintain a small but shrinking reliability advantage over gridded ion engines. Other results were also provided, for example the differentials in MTTA of minor and major anomalies for gridded ion engines and Hall thrusters. It was shown that: (3) Hall thrusters exhibit minor anomalies very early on orbit, which might be indicative of infant anomalies, and thus would benefit from better ground testing and acceptance procedures; (4) Strong evidence exists that EP anomalies (onset and likelihood) and orbit type are dependent, a dependence likely mediated by either the space environment or differences in thrusters duty cycles; (5) Gridded ion thrusters exhibit both

  16. Detection of Organic Constituents Including Chloromethylpropene in the Analyses of the ROCKNEST Drift by Sample Analysis at Mars (SAM)

    Science.gov (United States)

    Eigenbrode, J. L.; Glavin, D.; Coll, P.; Summons, R. E.; Mahaffy, P.; Archer, D.; Brunner, A.; Conrad, P.; Freissinet, C.; Martin, M.; hide

    2013-01-01

    key challenge in assessing the habitability of martian environments is the detection of organic matter - a requirement of all life as we know it. The Curiosity rover, which landed on August 6, 2012 in Gale Crater of Mars, includes the Sample Analysis at Mars (SAM) instrument suite capable of in situ analysis of gaseous organic components thermally evolved from sediment samples collected, sieved, and delivered by the MSL rover. On Sol 94, SAM received its first solid sample: scooped sediment from Rocknest that was sieved to analysis was performed. This blank served 1) to clean the analytical instrument of SAMinternal materials that accumulated in the gas processing system since integration into the rover, and 2) to characterize the background signatures of SAM. Both the blank and the Rocknest samples showed the presence of hydrocarbon components.

  17. Miniature near-infrared spectrometer for point-of-use chemical analysis

    Science.gov (United States)

    Friedrich, Donald M.; Hulse, Charles A.; von Gunten, Marc; Williamson, Eric P.; Pederson, Christopher G.; O'Brien, Nada A.

    2014-03-01

    Point-of-use chemical analysis holds tremendous promise for a number of industries, including agriculture, recycling, pharmaceuticals and homeland security. Near infrared (NIR) spectroscopy is an excellent candidate for these applications, with minimal sample preparation for real-time decision-making. We will detail the development of a golf ball-sized NIR spectrometer developed specifically for this purpose. The instrument is based upon a thin-film dispersive element that is very stable over time and temperature, with less than 2 nm change expected over the operating temperature range and lifetime of the instrument. This filter is coupled with an uncooled InGaAs detector array in a small, rugged, environmentally stable optical bench ideally suited to unpredictable environments. The resulting instrument weighs less than 60 grams, includes onboard illumination and collection optics for diffuse reflectance applications in the 900-1700 nm wavelength range, and is USB-powered. It can be driven in the field by a laptop, tablet or even a smartphone. The software design includes the potential for both on-board and cloud-based storage, analysis and decision-making. The key attributes of the instrument and the underlying design tradeoffs will be discussed, focusing on miniaturization, ruggedization, power consumption and cost. The optical performance of the instrument, as well as its fit-for purpose will be detailed. Finally, we will show that our manufacturing process has enabled us to build instruments with excellent unit-to-unit reproducibility. We will show that this is a key enabler for instrumentindependent chemical analysis models, a requirement for mass point-of-use deployment.

  18. Silica sol as grouting material: a physio-chemical analysis.

    Science.gov (United States)

    Sögaard, Christian; Funehag, Johan; Abbas, Zareen

    2018-01-01

    At present there is a pressing need to find an environmentally friendly grouting material for the construction of tunnels. Silica nanoparticles hold great potential of replacing the organic molecule based grouting materials currently used for this purpose. Chemically, silica nanoparticles are similar to natural silicates which are essential components of rocks and soil. Moreover, suspensions of silica nanoparticles of different sizes and desired reactivity are commercially available. However, the use of silica nanoparticles as grouting material is at an early stage of its technological development. There are some critical parameters such as long term stability and functionality of grouted silica that need to be investigated in detail before silica nanoparticles can be considered as a reliable grouting material. In this review article we present the state of the art regarding the chemical properties of silica nanoparticles commercially available, as well as experience gained from the use of silica as grouting material. We give a detailed description of the mechanisms underlying the gelling of silica by different salt solutions such as NaCl and KCl and how factors such as particle size, pH, and temperature affect the gelling and gel strength development. Our focus in this review is on linking the chemical properties of silica nanoparticles to the mechanical properties to better understand their functionality and stability as grouting material. Along the way we point out areas which need further research.

  19. Analysis and feasibility of chemical recording using thermosensitive liposomes

    Science.gov (United States)

    Tanner, Maria E.; Vasievich, Elizabeth A.; Protz, Jonathan M.

    2007-12-01

    A new generation of inertial measurement technology is being developed enabling a 10-micron particle to be "aware" of its geospatial location and respond to this information. The proposed approach combines an inertially-sensitive nanostructure or nano fluid/structure system with a nano-sized chemical reactor that functions as an analog computer. Originally, a cantilever-controlled valve used to control a first order chemical reaction was proposed. The feasibility of this concept was evaluated, resulting in a device with significant size reductions, comparable gain, and lower bandwidth than current accelerometers. New concepts with additional refinements have been investigated. Buoyancy-driven convection coupled with a chemical recording technique is explored as a possible alternative. Using a micro-track containing regions of different temperatures and thermosensitive liposomes (TSL), a range of accelerations can be recorded and the position determined. Through careful design, TSL can be developed that have unique transition temperatures and each class of TSL will contain a unique DNA sequence that serves as an identifier. Acceleration can be detected through buoyancy-driven convection. As the liposomes travel to regions of warmer temperature, they will release their contents at the recording site, thus documenting the acceleration. This paper will outline the concept and present the feasibility.

  20. Miniaturised wireless smart tag for optical chemical analysis applications.

    Science.gov (United States)

    Steinberg, Matthew D; Kassal, Petar; Tkalčec, Biserka; Murković Steinberg, Ivana

    2014-01-01

    A novel miniaturised photometer has been developed as an ultra-portable and mobile analytical chemical instrument. The low-cost photometer presents a paradigm shift in mobile chemical sensor instrumentation because it is built around a contactless smart card format. The photometer tag is based on the radio-frequency identification (RFID) smart card system, which provides short-range wireless data and power transfer between the photometer and a proximal reader, and which allows the reader to also energise the photometer by near field electromagnetic induction. RFID is set to become a key enabling technology of the Internet-of-Things (IoT), hence devices such as the photometer described here will enable numerous mobile, wearable and vanguard chemical sensing applications in the emerging connected world. In the work presented here, we demonstrate the characterisation of a low-power RFID wireless sensor tag with an LED/photodiode-based photometric input. The performance of the wireless photometer has been tested through two different model analytical applications. The first is photometry in solution, where colour intensity as a function of dye concentration was measured. The second is an ion-selective optode system in which potassium ion concentrations were determined by using previously well characterised bulk optode membranes. The analytical performance of the wireless photometer smart tag is clearly demonstrated by these optical absorption-based analytical experiments, with excellent data agreement to a reference laboratory instrument. © 2013 Elsevier B.V. All rights reserved.

  1. Physical urticaria: Review on classification, triggers and management with special focus on prevalence including a meta-analysis.

    Science.gov (United States)

    Trevisonno, Jordan; Balram, Bhairavi; Netchiporouk, Elena; Ben-Shoshan, Moshe

    2015-08-01

    Physical urticaria (PU) is a subset of chronic urticaria (CU) induced by physical stimuli. To date, there is no consensus in the literature on the prevalence of PU among patients with CU. Our objective was to review the clinical presentation, diagnosis and management of PU and to estimate the prevalence of PU in CU patients. We performed a narrative review of PU and conducted a systemic review and meta-analysis to determine the pooled estimates of the prevalence of PU among patients with CU in the literature up to September 2014. We searched four databases (PubMed, Ovid MEDLINE and Web of Science) of published work for which full text was available in English or French. Studies were eligible if they measured the prevalence of PU in adults or children with CU worldwide and ineligible if CU cases were not differentiated from total urticaria cases. Meta-analysis was conducted using Stata, version 12.0 (StataCorp, College Station, TX). In addition, the quality and validity of the articles included in the meta-analysis was assessed. Ten studies were included in our meta-analysis. Sample sizes ranged from 202 to 4157 patients. The pooled prevalence estimate of PU including and excluding cholinergic forms among all cases of CU were 13.1% (95% CI: 12.5, 13.6) and 14.9% (95% CI: 14.3, 15.7), respectively. Our results must be viewed with circumspection because of the small number of eligible articles and heterogeneity among studies. Even so, the results suggest that PU is an important subset of CU and that physicians should be aware of this important condition in order to manage patients appropriately.

  2. Chromatographic analysis with different detectors in the chemical characterisation and dereplication of African propolis.

    Science.gov (United States)

    Zhang, Tong; Omar, Ruwida; Siheri, Weam; Al Mutairi, Sultan; Clements, Carol; Fearnley, James; Edrada-Ebel, RuAngelie; Watson, David

    2014-03-01

    Propolis or bee glue has very diverse composition and is potentially a source of biologically active compounds. Comprehensive chemical profiling was performed on 22 African propolis samples collected from the sub-Saharan region of Africa by using various hyphenated analytical techniques including Liquid Chromatography (LC)-UltraViolet Detection (UV)-Evaporative Light Scattering Detection (ELSD), LC-High Resolution Mass Spectrometry (HRMS), Gas Chromatography (GC)-MS and LC-Diode Array Detector (DAD)-HRMS/MS. The diversity of the composition of these African propolis samples could be observed by heat mapping the LC-UV and ELSD data. The characteristic chemical components were uncovered by applying Principal Component Analysis (PCA) to the LC-HRMS data and a preliminary dereplication was carried out by searching their accurate masses in the Dictionary of Natural Products (DNP). A further identification was achieved by comparing their GC-MS or LC-DAD-HRMS/MS spectra with previously published data. Generally no clear geographic delineation was observed in the classification of these African propolis samples. Triterpenoids were found as the major chemical components in more than half of the propolis samples analysed in this study and some others were classified as temperate and Eastern Mediterranean type of propolis. Based on the comparative chemical profiling and dereplication studies one uncommon propolis from southern Nigeria stood out from others by presenting prenylated isoflavonoids, which indicated that it was more like Brazilian red propolis, and more significantly a high abundance of stilbenoid compounds which could be novel in propolis. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Substantial equivalence analysis in fruits from three Theobroma species through chemical composition and protein profiling.

    Science.gov (United States)

    Pérez-Mora, Walter; Jorrin-Novo, Jesús V; Melgarejo, Luz Marina

    2018-02-01

    Substantial equivalence studies were performed in three Theobroma spp., cacao, bicolor and grandiflorum through chemical composition analysis and protein profiling of fruit (pulp juice and seeds). Principal component analysis of sugar, organic acid, and phenol content in pulp juice revealed equivalence among the three species, with differences in some of the compounds that may result in different organoleptic properties. Proteins were extracted from seeds and pulp juice, resolved by two dimensional electrophoresis and major spots subjected to mass spectrometry analysis and identification. The protein profile, as revealed by principal component analysis, was variable among the three species in both seed and pulp, with qualitative and quantitative differences in some of protein species. The functional grouping of the identified proteins correlated with the biological role of each organ. Some of the identified proteins are of interest, being minimally discussed, including vicilin, a protease inhibitor, and a flavonol synthase/flavanone 3-hydroxylase. Theobroma grandiflorum and Theobroma bicolor are endemic Amazonian plants that are poorly traded at the local level. As close relatives of Theobroma cacao, they may provide a good alternative for human consumption and industrial purposes. In this regard, we performed equivalence studies by conducting a comparative biochemical and proteomics analysis of the fruit, pulp juice and seeds of these three species. The results indicated equivalent chemical compositions and variable protein profiles with some differences in the content of the specific compounds or protein species that may result in variable organoleptic properties between the species and can be exploited for traceability purposes. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Chemical Discrimination of Cortex Phellodendri amurensis and Cortex Phellodendri chinensis by Multivariate Analysis Approach.

    Science.gov (United States)

    Sun, Hui; Wang, Huiyu; Zhang, Aihua; Yan, Guangli; Han, Ying; Li, Yuan; Wu, Xiuhong; Meng, Xiangcai; Wang, Xijun

    2016-01-01

    As herbal medicines have an important position in health care systems worldwide, their current assessment, and quality control are a major bottleneck. Cortex Phellodendri chinensis (CPC) and Cortex Phellodendri amurensis (CPA) are widely used in China, however, how to identify species of CPA and CPC has become urgent. In this study, multivariate analysis approach was performed to the investigation of chemical discrimination of CPA and CPC. Principal component analysis showed that two herbs could be separated clearly. The chemical markers such as berberine, palmatine, phellodendrine, magnoflorine, obacunone, and obaculactone were identified through the orthogonal partial least squared discriminant analysis, and were identified tentatively by the accurate mass of quadruple-time-of-flight mass spectrometry. A total of 29 components can be used as the chemical markers for discrimination of CPA and CPC. Of them, phellodenrine is significantly higher in CPC than that of CPA, whereas obacunone and obaculactone are significantly higher in CPA than that of CPC. The present study proves that multivariate analysis approach based chemical analysis greatly contributes to the investigation of CPA and CPC, and showed that the identified chemical markers as a whole should be used to discriminate the two herbal medicines, and simultaneously the results also provided chemical information for their quality assessment. Multivariate analysis approach was performed to the investigate the herbal medicineThe chemical markers were identified through multivariate analysis approachA total of 29 components can be used as the chemical markers. UPLC-Q/TOF-MS-based multivariate analysis method for the herbal medicine samples Abbreviations used: CPC: Cortex Phellodendri chinensis, CPA: Cortex Phellodendri amurensis, PCA: Principal component analysis, OPLS-DA: Orthogonal partial least squares discriminant analysis, BPI: Base peaks ion intensity.

  5. Sample preparation for combined chemical analysis and bioassay application in water quality assessment

    NARCIS (Netherlands)

    Kolkman, A.; Schriks, M.; Brand, W; Bäuerlein, P.S.; van der Kooi, M.M.E.; van Doorn, R.H.; Emke, E.; Reus, A.; van der Linden, S.; de Voogt, P.; Heringa, M.B.

    2013-01-01

    The combination of in vitro bioassays and chemical screening can provide a powerful toolbox to determine biologically relevant compounds in water extracts. In this study, a sample preparation method is evaluated for the suitability for both chemical analysis and in vitro bioassays. A set of 39

  6. Forecasting global developments in the basic chemical industry for environmental policy analysis

    NARCIS (Netherlands)

    Broeren, M.L.M.; Saygin, D.; Patel, M.K.

    The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock

  7. Laser applications to chemical and environmental analysis: introduction to the feature issue.

    Science.gov (United States)

    Allen, M G; Shaw, R W; Sick, V

    1999-03-20

    This issue of Applied Optics features 16 papers describing chemical and environmental measurements made possible by lasers. Many of these contributions were presented at the Optical Society of America Topical Meeting on Laser Applications to Chemical and Environmental Analysis, held in Orlando, Florida, 9-11 March 1998.

  8. Identification of chemical components in Zataria multiflora callus by GC-Mass analysis

    Directory of Open Access Journals (Sweden)

    P. Golkar

    2017-11-01

    Full Text Available Background and objectives: A modern biotechnological technique to obtain useful natural products from plants is to isolate them from their callus. Zataria multiflora is a bushy herb of the Lamiaceae family known for its stimulant, antibacterial, antioxidant and expectorant effects in Iranian folk medicine.  The present study has investigated the induction of callus tissue and identification of its chemical compounds by GC-Mass analysis. Methods: The plant seeds of were sterilized and cultured in petri dishes lined with MS medium. After the emergence of seedlings, leaf segments were transferred to another MS medium supplemented with 2 mg/L 2,4- Dichlorophenoxyacetic acid + 1 mg/L  Kinetin. The petri dishes were incubated in a growth chamber at 24 °C with photoperiod of 16/8 (light/dark. The methanol extract of the calli were extracted after 2 month of callus induction and the chemicals were analyzed by gas chromatography-mass spectrometry (GC-MS. Reults: GC-MS analysis showed 20 different compound including different fatty acids, phytosterolls and phenolic compounds. Linolenic acid methyl ester (13.38%, thymol (10.34%, cyclohexasiloxane dodecamethyl (7.50% and р-cymen (7.30% were the dominant compounds, respectively. Conclusion: This novel   finding showed that in vitro production of thymol and other terpenoids by callus culture could be optimized for wide industrial and pharmaceutical applications via bioreactor systems employment.

  9. Development of Procedures for the Analysis of Components of Dumped Chemical Weapons and Their Principal Transformation Products in Sea Water

    International Nuclear Information System (INIS)

    Saveleva, E. I.; Koryagina, N. L.; Radilov, A. S.; Khlebnikova, N. S.; Khrustaleva, V. S.

    2007-01-01

    A package of chemical analytical procedures was developed for the detection of products indicative of the presence of damped chemical weapons in the Baltic Sea. The principal requirements imposed upon the procedures were the following: high sensitivity, reliable identification of target compounds, wide range of components covered by survey analysis, and lack of interferences from sea salts. Thiodiglycol, a product of hydrolysis of sulfur mustard reportedly always detected in the sites of damping chemical weapons in the Baltic Sea, was considered the principal marker. We developed a high-sensitivity procedure for the determination of thiodiglycol in sea water, involving evaporation of samples to dryness in a vacuum concentrator, followed by tert-butyldimethylsilylation of the residue and GCMS analysis in the SIM mode with meta-fluorobenzoic acid as internal reference. The detection limit of thiodiglycol was 0.001 mg/l, and the procedure throughput was up to 30 samples per day. The same procedure, but with BSTFA as derivatizing agent instead of MTBSTFA, was used for preparing samples for survey analysis of nonvolatile components. In this case, full mass spectra were measured in the GCMS analysis. The use of BSTFA was motivated by the fact that trimethylsilyl derivatives are much wider represented in electronic mass spectral databases. The identification of sulfur mustard, volatile transformation products of sulfur mustard and lewisite, as well as chloroacetophenone in sea water was performed by means of GCMS in combination with SPME. The survey GC-MS analysis was focused on the identification of volatile and nonvolatile toxic chemicals whose mass spectra are included in the OPCW database (3219 toxic chemicals, precursors, and transformation products) with the use of AMDIS software (version 2.62). Using 2 GC-MS instruments, we could perform the survey analysis for volatile and nonvolatile components of up to 20 samples per day. Thus, the package of three procedures

  10. A meta-analysis including dose-response relationship between night shift work and the risk of colorectal cancer.

    Science.gov (United States)

    Wang, Xiao; Ji, Alin; Zhu, Yi; Liang, Zhen; Wu, Jian; Li, Shiqi; Meng, Shuai; Zheng, Xiangyi; Xie, Liping

    2015-09-22

    A meta-analysis was conducted to quantitatively evaluate the correlation between night shift work and the risk of colorectal cancer. We searched for publications up to March 2015 using PubMed, Web of Science, Cochrane Library, EMBASE and the Chinese National Knowledge Infrastructure databases, and the references of the retrieved articles and relevant reviews were also checked. OR and 95% CI were used to assess the degree of the correlation between night shift work and risk of colorectal cancer via fixed- or random-effect models. A dose-response meta-analysis was performed as well. The pooled OR estimates of the included studies illustrated that night shift work was correlated with an increased risk of colorectal cancer (OR = 1.318, 95% CI 1.121-1.551). No evidence of publication bias was detected. In the dose-response analysis, the rate of colorectal cancer increased by 11% for every 5 years increased in night shift work (OR = 1.11, 95% CI 1.03-1.20). In conclusion, this meta-analysis indicated that night shift work was associated with an increased risk of colorectal cancer. Further researches should be conducted to confirm our findings and clarify the potential biological mechanisms.

  11. On the tracks of sandarac, review and chemical analysis.

    Science.gov (United States)

    Azémard, Clara; Ménager, Matthieu; Vieillescazes, Cathy

    2017-12-01

    The sandarac resin (Tetraclinis articulata) has been long used for its properties, mostly as a varnish component. Called juniper resin until the nineteenth century, the real botanical origin of sandarac is still unclear. The first approach to this issue is the review of the evolution of the etymology, terminology, and botanical description of sandarac through time. It seems that sandarac was mainly coming from T. articulata but the use of some juniper resins before the twentieth century is not to be excluded. The second approach is a chemical one; we used gas chromatography coupled to mass spectrometry to characterise the resin. As sandarac was the main component of the famous Italian varnish Vernice liquida, its characterisation is important for old paintings studies. However, although we could hope to differentiate sandarac, Juniperus communis and Juniperus oxycedrus resins by looking at their chemical composition, it appears that these resins are very similar. Besides, we notice a lack of old varnishes containing sandarac which complicates our work.

  12. Evolutionary diversity of bile salts in reptiles and mammals, including analysis of ancient human and extinct giant ground sloth coprolites

    Directory of Open Access Journals (Sweden)

    Hofmann Alan F

    2010-05-01

    Full Text Available Abstract Background Bile salts are the major end-metabolites of cholesterol and are also important in lipid and protein digestion and in influencing the intestinal microflora. We greatly extend prior surveys of bile salt diversity in both reptiles and mammals, including analysis of 8,000 year old human coprolites and coprolites from the extinct Shasta ground sloth (Nothrotherium shastense. Results While there is significant variation of bile salts across species, bile salt profiles are generally stable within families and often within orders of reptiles and mammals, and do not directly correlate with differences in diet. The variation of bile salts generally accords with current molecular phylogenies of reptiles and mammals, including more recent groupings of squamate reptiles. For mammals, the most unusual finding was that the Paenungulates (elephants, manatees, and the rock hyrax have a very different bile salt profile from the Rufous sengi and South American aardvark, two other mammals classified with Paenungulates in the cohort Afrotheria in molecular phylogenies. Analyses of the approximately 8,000 year old human coprolites yielded a bile salt profile very similar to that found in modern human feces. Analysis of the Shasta ground sloth coprolites (approximately 12,000 years old showed the predominant presence of glycine-conjugated bile acids, similar to analyses of bile and feces of living sloths, in addition to a complex mixture of plant sterols and stanols expected from an herbivorous diet. Conclusions The bile salt synthetic pathway has become longer and more complex throughout vertebrate evolution, with some bile salt modifications only found within single groups such as marsupials. Analysis of the evolution of bile salt structures in different species provides a potentially rich model system for the evolution of a complex biochemical pathway in vertebrates. Our results also demonstrate the stability of bile salts in coprolites

  13. Evolutionary diversity of bile salts in reptiles and mammals, including analysis of ancient human and extinct giant ground sloth coprolites

    Science.gov (United States)

    2010-01-01

    Background Bile salts are the major end-metabolites of cholesterol and are also important in lipid and protein digestion and in influencing the intestinal microflora. We greatly extend prior surveys of bile salt diversity in both reptiles and mammals, including analysis of 8,000 year old human coprolites and coprolites from the extinct Shasta ground sloth (Nothrotherium shastense). Results While there is significant variation of bile salts across species, bile salt profiles are generally stable within families and often within orders of reptiles and mammals, and do not directly correlate with differences in diet. The variation of bile salts generally accords with current molecular phylogenies of reptiles and mammals, including more recent groupings of squamate reptiles. For mammals, the most unusual finding was that the Paenungulates (elephants, manatees, and the rock hyrax) have a very different bile salt profile from the Rufous sengi and South American aardvark, two other mammals classified with Paenungulates in the cohort Afrotheria in molecular phylogenies. Analyses of the approximately 8,000 year old human coprolites yielded a bile salt profile very similar to that found in modern human feces. Analysis of the Shasta ground sloth coprolites (approximately 12,000 years old) showed the predominant presence of glycine-conjugated bile acids, similar to analyses of bile and feces of living sloths, in addition to a complex mixture of plant sterols and stanols expected from an herbivorous diet. Conclusions The bile salt synthetic pathway has become longer and more complex throughout vertebrate evolution, with some bile salt modifications only found within single groups such as marsupials. Analysis of the evolution of bile salt structures in different species provides a potentially rich model system for the evolution of a complex biochemical pathway in vertebrates. Our results also demonstrate the stability of bile salts in coprolites preserved in arid climates

  14. Training and knowledge development for use of software for safety analysis including ANSYS. Simulation of thermal-hydraulic benchmarks

    International Nuclear Information System (INIS)

    2016-01-01

    Comparison of both axial mean and rms velocities of the current analysis with the benchmark submissions and experimental results were consistent, showing that the LES transient model of ANSYS CFX is applicable to the problem of T-junction mixing and to predict the location of thermal fatigue from temperature differences. Study of ICEM CFD (Computational Fluid Dynamics) should be able to provide more tools for a finer hexahedral mesh of the T-junction leading to better results. A video of the flow in time obtained from CFD Post is included with this report to help with visualizing the results of the temperature variation along the pipe

  15. Tailor-made materials for tailor-made applications : application of molecular imprints in chemical analysis

    NARCIS (Netherlands)

    Ensing, K; de Boer, Theo

    The development of new selective analytical methods and sample enrichment techniques remains of interest. The implementation of molecular imprints in chemical analysis may offer advantages over existing methodologies. Criteria for the applicability of molecular imprints in separation methods,

  16. Literature survey of chemical analysis by thermal neutron induced capture gamma ray spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Gladney, E.S.

    1979-09-01

    A brief discussion of the principles and techniques of chemical analysis by neutron capture gamma radiation is presented, and the widely scattered literature is collected into a single table arranged by element measured.

  17. Literature survey of chemical analysis by thermal neutron induced capture gamma ray spectrometry

    International Nuclear Information System (INIS)

    Gladney, E.S.

    1979-09-01

    A brief discussion of the principles and techniques of chemical analysis by neutron capture gamma radiation is presented, and the widely scattered literature is collected into a single table arranged by element measured

  18. Chemical risk evaluation, importance of the risk analysis framework uses: Latin America development restrictions

    International Nuclear Information System (INIS)

    Carrillo, M.

    2013-01-01

    The power point presentation is about reach and results of the risk analysis in Venezuela, chemical dangers in food, human damage, injuries , technologies news in fodd development, toxicity, microbiological risk, technical recommendations

  19. Environmental Impact Assessment for Socio-Economic Analysis of Chemicals

    DEFF Research Database (Denmark)

    Calow, Peter; Biddinger, G; Hennes, C

    This report describes the requirements for, and illustrates the application of, a methodology for a socio-economic analysis (SEA) especially as it might be adopted in the framework of REACH.......This report describes the requirements for, and illustrates the application of, a methodology for a socio-economic analysis (SEA) especially as it might be adopted in the framework of REACH....

  20. Methylenetetrahydrofolate Reductase Polymorphisms and Risk of Acute Lymphoblastic Leukemia-Evidence from an updated meta-analysis including 35 studies

    Directory of Open Access Journals (Sweden)

    Wang Haigang

    2012-09-01

    Full Text Available Abstract Background 5,10-methylenetetrahydrofolate reductase (MTHFR variants, C677T and A1298C, have been reported to be associated with decreased risk of acute lymphoblastic leukemia (ALL. However, results derived from individually underpowered studies are conflicting. We carried out an updated meta-analysis on the association between MTHFR polymorphisms and ALL risk. Methods Relevant publications were searched through PUBMED and EMBASE databases. The associations between MTHFR C677T and A1298C polymorphisms and the risk of ALL were evaluated by odds ratios (ORs. The heterogeneity and publication bias were estimated. Meta-regression analysis was performed to evaluate the potential sources of heterogeneity. Results C677T polymorphism was associated with a reduced risk of ALL (allele contrast: ORRE = 0.91, 95% CI: 0.83-0.99. Subgroup analysis showed MTHFR C677T variant was associated with decreased susceptibility to ALL in children and Caucasians. Meta-regression showed the logOR for the association between T allele and ALL increased as sex ratio (M/F in the case group increased (P = 0.01. Regarding A1298C polymorphism, no significant association was observed (allele contrast: ORRE = 1.01, 95% CI: 0.91-1.11. There was no publication bias for C677T or A1298C polymorphism. Conclusions The present meta-analysis suggests that the C677T polymorphism, not A1298C, in MTHFR gene is associated with a decreased risk of ALL, particularly among children and Caucasians subjects. Our findings suggest that the influence of the C677T polymorphism on ALL susceptibility is modified by sex ratio in cases (M/F. Since folate intake may be a possible confounding factor, including this factor in future prospective studies is warranted. Further meta-analysis studies should be at least stratified for folate levels and gender to give more powerful and informative results.

  1. Methylenetetrahydrofolate Reductase Polymorphisms and Risk of Acute Lymphoblastic Leukemia-Evidence from an updated meta-analysis including 35 studies

    Science.gov (United States)

    2012-01-01

    Background 5,10-methylenetetrahydrofolate reductase (MTHFR) variants, C677T and A1298C, have been reported to be associated with decreased risk of acute lymphoblastic leukemia (ALL). However, results derived from individually underpowered studies are conflicting. We carried out an updated meta-analysis on the association between MTHFR polymorphisms and ALL risk. Methods Relevant publications were searched through PUBMED and EMBASE databases. The associations between MTHFR C677T and A1298C polymorphisms and the risk of ALL were evaluated by odds ratios (ORs). The heterogeneity and publication bias were estimated. Meta-regression analysis was performed to evaluate the potential sources of heterogeneity. Results C677T polymorphism was associated with a reduced risk of ALL (allele contrast: ORRE = 0.91, 95% CI: 0.83-0.99). Subgroup analysis showed MTHFR C677T variant was associated with decreased susceptibility to ALL in children and Caucasians. Meta-regression showed the logOR for the association between T allele and ALL increased as sex ratio (M/F) in the case group increased (P = 0.01). Regarding A1298C polymorphism, no significant association was observed (allele contrast: ORRE = 1.01, 95% CI: 0.91-1.11). There was no publication bias for C677T or A1298C polymorphism. Conclusions The present meta-analysis suggests that the C677T polymorphism, not A1298C, in MTHFR gene is associated with a decreased risk of ALL, particularly among children and Caucasians subjects. Our findings suggest that the influence of the C677T polymorphism on ALL susceptibility is modified by sex ratio in cases (M/F). Since folate intake may be a possible confounding factor, including this factor in future prospective studies is warranted. Further meta-analysis studies should be at least stratified for folate levels and gender to give more powerful and informative results. PMID:22943282

  2. Naval Research Laboratory Industrial Chemical Analysis and Respiratory Filter Standards Development

    Science.gov (United States)

    2017-09-29

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6360--17-9750 Naval Research Laboratory Industrial Chemical Analysis and Respiratory...LIMITATION OF ABSTRACT Naval Research Laboratory Industrial Chemical Analysis and Respiratory Filter Standards Development Thomas E. Sutto Naval Research ...09-2017 NRL Memorandum Report 2009 – 2016 63-4974-07 Naval Research Laboratory, Code 6362 4555 Overlook Avenue, SW Washington, DC 20375-5320 NRL 6.1

  3. Chemical Fingerprint Analysis and Quantitative Analysis of Rosa rugosa by UPLC-DAD

    Directory of Open Access Journals (Sweden)

    Sanawar Mansur

    2016-12-01

    Full Text Available A method based on ultra performance liquid chromatography with a diode array detector (UPLC-DAD was developed for quantitative analysis of five active compounds and chemical fingerprint analysis of Rosa rugosa. Ten batches of R. rugosa collected from different plantations in the Xinjiang region of China were used to establish the fingerprint. The feasibility and advantages of the used UPLC fingerprint were verified for its similarity evaluation by systematically comparing chromatograms with professional analytical software recommended by State Food and Drug Administration (SFDA of China. In quantitative analysis, the five compounds showed good regression (R2 = 0.9995 within the test ranges, and the recovery of the method was in the range of 94.2%–103.8%. The similarities of liquid chromatography fingerprints of 10 batches of R. rugosa were more than 0.981. The developed UPLC fingerprint method is simple, reliable, and validated for the quality control and identification of R. rugosa. Additionally, simultaneous quantification of five major bioactive ingredients in the R. rugosa samples was conducted to interpret the consistency of the quality test. The results indicated that the UPLC fingerprint, as a characteristic distinguishing method combining similarity evaluation and quantification analysis, can be successfully used to assess the quality and to identify the authenticity of R. rugosa.

  4. Chemical effects in materials studies using Auger analysis

    International Nuclear Information System (INIS)

    Rye, R.R.

    1985-01-01

    Core-valence-valence Auger spectra (AES) afford a unique local view of valence electron structure. The direct involvement in the Auger process of both core and valence states means that the transition matrix element will have a large value only for that portion of the valence electron density which covers the same spatial extent as the core wave function. Thus, the information content of AES is local to the atomic site containing the initial core hole. Our approach in understanding the local information content of AES has been mainly experimental through the intercomparison of model systems, both molecular and solid. The use of molecules in this regard is particularly useful since the vast array of molecular species of known geometric and electronic structures allows one to both vary these properties in a systematic fashion to observe trends and to choose a molecule to probe a specific chemical question

  5. Probabilistic thermo-chemical analysis of a pultruded composite rod

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

    2012-01-01

    In the present study the deterministic thermo-chemical pultrusion simulation of a composite rod taken from the literature [7] is used as a validation case. The predicted centerline temperature and cure degree profiles of the rod match well with those in the literature [7]. Following the validation...... case, the probabilistic design of the pultrusion process, which has not been considered until now, is performed. The effect of statistical variations in the material (i.e. fiber and resin) and resin kinetic properties, as well as process parameters such as pulling speed and inlet temperature...... on the product quality (degree of cure) are examined by means of Monte Carlo Simulation (MCS) with Latin Hypercube Sampling (LHS) technique. The variations in the activation energy as well as the density of the resin are found to have a strong influence on the centerline degree of cure at the exit whereas...

  6. [Materiality Analysis of Health Plans Based on Stakeholder Engagement and the Issues Included at ISO 26000:2010].

    Science.gov (United States)

    Moyano Santiago, Miguel Angel; Rivera Lirio, Juana María

    2017-01-18

    Health plans of the Spanish autonomous communities can incorporate sustainable development criteria in its development. There have been no analysis or proposals about development and indicators. The goal is to add a contribution to help build better health plans aimed at sustainable development and help to manage economic, social and environmental impacts of health systems criteria. We used a variation of the RAND/UCLA or modified Delphi technique method. The process consisted of a bibliographical and context matters and issues related to health and social responsibility analysis based on ISO 26000: 2010. A survey by deliberately to a selection of 70 expert members of the identified stakeholders was carried out and a discussion group was held to determine the consensus on the issues addressed in the survey sample. The research was conducted in 2015. From the literature review 33 health issues included in ISO 26000:2010 were obtained. 7 survey proved relevant high consensus, 8 relevance and average consensus and 18 with less relevance and high level of dissent. The expert group excluded 4 of the 18 subjects with less consensus. 29 issues included 33 at work, divided into 7 subjects contained in the guide ISO 26000 of social responsibility, were relevant stakeholders regarding possible inclusion in health plans. Considering the direct relationship published by ISO (International Organization for Standardization) among the issues ISO 26000 and the economic, social and environmental indicators in GRI (Global Reporting Initiative) in its G4 version, a panel with monitoring indicators related to relevant issues were elaborated.

  7. Validity of segmental bioelectrical impedance analysis for estimating fat-free mass in children including overweight individuals.

    Science.gov (United States)

    Ohta, Megumi; Midorikawa, Taishi; Hikihara, Yuki; Masuo, Yoshihisa; Sakamoto, Shizuo; Torii, Suguru; Kawakami, Yasuo; Fukunaga, Tetsuo; Kanehisa, Hiroaki

    2017-02-01

    This study examined the validity of segmental bioelectrical impedance (BI) analysis for predicting the fat-free masses (FFMs) of whole-body and body segments in children including overweight individuals. The FFM and impedance (Z) values of arms, trunk, legs, and whole body were determined using a dual-energy X-ray absorptiometry and segmental BI analyses, respectively, in 149 boys and girls aged 6 to 12 years, who were divided into model-development (n = 74), cross-validation (n = 35), and overweight (n = 40) groups. Simple regression analysis was applied to (length) 2 /Z (BI index) for each of the whole-body and 3 segments to develop the prediction equations of the measured FFM of the related body part. In the model-development group, the BI index of each of the 3 segments and whole body was significantly correlated to the measured FFM (R 2 = 0.867-0.932, standard error of estimation = 0.18-1.44 kg (5.9%-8.7%)). There was no significant difference between the measured and predicted FFM values without systematic error. The application of each equation derived in the model-development group to the cross-validation and overweight groups did not produce significant differences between the measured and predicted FFM values and systematic errors, with an exception that the arm FFM in the overweight group was overestimated. Segmental bioelectrical impedance analysis is useful for predicting the FFM of each of whole-body and body segments in children including overweight individuals, although the application for estimating arm FFM in overweight individuals requires a certain modification.

  8. Chemical analysis of useful trace elements in sea water

    International Nuclear Information System (INIS)

    Katoh, Shunsaku; Fujii, Ayako; Miyai, Yoshitaka; Sakane, Kohji; Ogata, Noboru.

    1983-01-01

    The methods for the analysis of useful trace elements in sea water which have been tried so far are reviewed, and these methods are described briefly from the standpoint of studying the collection of resources. Ag and Au can be determined by concentrating sea water by ion-exchange method, solvent extraction method and electrodeposition method, then the elements are measured quantitatively by activation analysis and atomic absorption spectrochemical analysis. Sr, B and Li, which exist in relatively high concentration in sea water, are determined easily by atomic absorption spectrochemical analysis and absorption spectrometry. U, Mo and V are measured suitably by concentrating the elements by coprecipitation or solvent extraction method, and measuring by fluorescence analysis and arsenazo-3 method for U and through graphite-atomic absorption analysis for Mo and V. It has been revealed that the concentration of Ag and Au in sea water is extremely low, accordingly the recovery study is not conducted recently. On the other hand, the adsorption method using hydrated titanium oxide and amidoxim adsorbents for U, Mo and V, the adsorption method using aluminum adsorbent for Li, and the adsorption method using magnesium oxide and zirconium hydroxide and the solvent extraction method for B are hopeful to recover these elements. (Yoshitake, I.)

  9. Chemical mass balance (CMB) source apportionment and organic speciation of PM(2.5) in Missoula, Montana including the 2000 wildfire season

    Science.gov (United States)

    Ward, Tony J.

    A yearlong sampling program for PM2.5, Semi- Volatile Organic Compounds (SVOCs), and Volatile Organic Compounds (VOCs) was conducted in 2000/2001. The data were used in a Chemical Mass Balance (CMB) Source Apportionment Model (Version 8.0) to apportion the sources of PM2.5 in the Missoula Valley. Results showed that wood combustion contributed an average of 41% to the fine fraction throughout the year. The second largest source of PM 2.5 was diesel (19%), followed by ammonium nitrate (17%), the kraft recovery boilers from Smurfit-Stone Container (14%), other hog fuel boilers (6%), and street sand (5%). Results also showed that PM2.5 levels and contributions from sources were consistent on both sides of the Missoula Valley, but VOCs were twice as high in Missoula compared to Frenchtown. Another aspect of this program was to investigate the organic fraction of the Missoula Valley PM2.5 by evaluating a modified Federal Reference Method (FRM) PM2.5 sampler. A method comparison was also made between sampling for SVOCs using the modified PM2.5 sampler and in using a Hi-volume Polyurethane Foam (PUF) sampler. Results showed that the PM 2.5 PUF measured more of the lighter SVOCs compared to the Hi-vol PUF sampler. This is most likely the result of the higher flows through the Hi-vol PUF which ``strip'' the lighter organics from the surface of the filter. The wildland fires of summer 2000 comprised one of the most severe fire seasons is U.S. history, and had a direct impact on the city of Missoula. Sampling in Missoula was already in progress when the fires began and smoke started rolling into the Missoula Valley. Samples were collected before, during, and after the 2000 fire season, and a detailed characterization of particulate and gaseous emissions from extensive wildland fires was obtained. The 2000/2001 CMB Sampling Program data collected during the 2000 fire season suggest that the main health impacts to downwind populations reside in the fine particulate exposures

  10. Potential external contamination with bisphenol A and other ubiquitous organic environmental chemicals during biomonitoring analysis: an elusive laboratory challenge.

    Science.gov (United States)

    Ye, Xiaoyun; Zhou, Xiaoliu; Hennings, Ryan; Kramer, Joshua; Calafat, Antonia M

    2013-03-01

    Biomonitoring studies are conducted to assess internal dose (i.e., body burden) to environmental chemicals. However, because of the ubiquitous presence in the environment of some of these chemicals, such as bisphenol A (BPA), external contamination during handling and analysis of the biospecimens collected for biomonitoring evaluations could compromise the reported concentrations of such chemicals. We examined the contamination with the target analytes during analysis of biological specimens in biomonitoring laboratories equipped with state-of-the-art analytical instrumentation. We present several case studies using the quantitative determination of BPA and other organic chemicals (i.e., benzophenone-3, triclosan, parabens) in human urine, milk, and serum to identify potential contamination sources when the biomarkers measured are ubiquitous environmental contaminants. Contamination with target analytes during biomonitoring analysis could result from solvents and reagents, the experimental apparatus used, the laboratory environment, and/or even the analyst. For biomonotoring data to be valid-even when obtained from high-quality analytical methods and good laboratory practices-the following practices must be followed to identify and track unintended contamination with the target analytes during analysis of the biological specimens: strict quality control measures including use of laboratory blanks; replicate analyses; engineering controls (e.g., clean rooms, biosafety cabinets) as needed; and homogeneous matrix-based quality control materials within the expected concentration ranges of the study samples.

  11. [Analysis of chemical constituents from Citrus aurantium by UHPLC-LTQ-Orbitrap-MS/MS].

    Science.gov (United States)

    Yu, Guo-Hua; Yang, Hong-Jun; Li, Jun-Fang; Geng, Ya; Dong, Ling; Xu, Hai-Yu

    2016-09-01

    In this study, a ultra-high-pressure liquid chromatography coupled with linear ion trap-Orbitrap tandem mass spectrometry (UHPLC-LTQ-Orbitrap-MS/MS) method was developed to analyze the chemical components in Citrus aurantium. C. aurantium were extracted with 75% methanol, and we applied a Thermo Scientific BDS Hypersil C₁₈ column (2.1 mm×150 mm, 2.4 μm) to UHPLC analysis with acetonitrile-water (containing 0.1% formic acid) in gradient as mobile phase. Elutes were then detected by ESI-LTQ-Orbitrap-MS/MS. A total of 27 components were identified, including fourteen flavonoids, seven coumarins, five limonoids and one alkaloid. This study showed an insight into the composition of C. aurantium, which could provide theoretical foundation for further study and utilization of the medicinal resources. Copyright© by the Chinese Pharmaceutical Association.

  12. Modular approach to analysis of chemically recuperated gas turbine cycles

    Energy Technology Data Exchange (ETDEWEB)

    Carcasci, C.; Facchini, B. [University of Florence, `Sergio Stecco` (Italy). Dept. of Energy Engineering; Harvey, S. [Chalmers Institute of Technology, Goeteberg (Sweden). Dept. of Heat and Power Technology

    1998-12-31

    Current research programmes such as the CAGT programme investigate the opportunity for advanced power generation cycles based on state-of-the-art aeroderivative gas turbine technology. Such cycles would be primarily aimed at intermediate duty applications. Compared to industrial gas turbines, aeroderivatives offer high simple cycle efficiency, and the capability to start quickly and frequently without a significant maintenance cost penalty. A key element for high system performance is the development of improved heat recovery systems, leading to advanced cycles such as the humid air turbine (HAT) cycle, the chemically recuperated gas turbine (CRGT) cycle and the Kalina combined cycle. When used in combination with advanced technologies and components, screening studies conducted by research programmes such as the CAGT programme predict that such advanced cycles could theoretically lead to net cycle efficiencies exceeding 60%. In this paper, the authors present the application of the modular approach to cycle simulation and performance predictions of CRGT cycles. The paper first presents the modular simulation code concept and the main characteristics of CRGT cycles. The paper next discusses the development of the methane-steam reformer unit model used for the simulations. The modular code is then used to compute performance characteristics of a simple CRGT cycle and a reheat CRGT cycle, both based on the General Electric LM6000 aeroderivative gas turbine. (author)

  13. Hydrocarbon analysis using desorption atmospheric pressure chemical ionization

    KAUST Repository

    Jjunju, Fred Paul Mark

    2013-07-01

    Characterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.

  14. Comprehensive Analysis Competence and Innovative Approaches for Sustainable Chemical Production.

    Science.gov (United States)

    Appel, Joerg; Colombo, Corrado; Dätwyler, Urs; Chen, Yun; Kerimoglu, Nimet

    2016-01-01

    Humanity currently sees itself facing enormous economic, ecological, and social challenges. Sustainable products and production in specialty chemistry are an important strategic element to address these megatrends. In addition to that, digitalization and global connectivity will create new opportunities for the industry. One aspect is examined in this paper, which shows the development of comprehensive analysis of production networks for a more sustainable production in which the need for innovative solutions arises. Examples from data analysis, advanced process control and automated performance monitoring are shown. These efforts have significant impact on improved yields, reduced energy and water consumption, and better product performance in the application of the products.

  15. CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Kee, R.J.; Rupley, F.M.; Meeks, E.; Miller, J.A.

    1996-05-01

    This document is the user`s manual for the third-generation CHEMKIN package. CHEMKIN is a software package whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides a flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and a Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular FORTRAN subroutines that may be called to return information on equations of state, thermodynamic properties, and chemical production rates. CHEMKIN-III includes capabilities for treating multi-fluid plasma systems, that are not in thermal equilibrium. These new capabilities allow researchers to describe chemistry systems that are characterized by more than one temperature, in which reactions may depend on temperatures associated with different species; i.e. reactions may be driven by collisions with electrons, ions, or charge-neutral species. These new features have been implemented in such a way as to require little or no changes to CHEMKIN implementation for systems in thermal equilibrium, where all species share the same gas temperature. CHEMKIN-III now has the capability to handle weakly ionized plasma chemistry, especially for application related to advanced semiconductor processing.

  16. Controlling organic chemical hazards in food manufacturing: a hazard analysis critical control points (HACCP) approach.

    Science.gov (United States)

    Ropkins, K; Beck, A J

    2002-08-01

    Hazard analysis by critical control points (HACCP) is a systematic approach to the identification, assessment and control of hazards. Effective HACCP requires the consideration of all hazards, i.e., chemical, microbiological and physical. However, to-date most 'in-place' HACCP procedures have tended to focus on the control of microbiological and physical food hazards. In general, the chemical component of HACCP procedures is either ignored or limited to applied chemicals, e.g., food additives and pesticides. In this paper we discuss the application of HACCP to a broader range of chemical hazards, using organic chemical contaminants as examples, and the problems that are likely to arise in the food manufacturing sector. Chemical HACCP procedures are likely to result in many of the advantages previously identified for microbiological HACCP procedures: more effective, efficient and economical than conventional end-point-testing methods. However, the high costs of analytical monitoring of chemical contaminants and a limited understanding of formulation and process optimisation as means of controlling chemical contamination of foods are likely to prevent chemical HACCP becoming as effective as microbiological HACCP.

  17. Environmental Risk Assessment: Spatial Analysis of Chemical Hazards and Risks in South Korea

    Science.gov (United States)

    Yu, H.; Heo, S.; Kim, M.; Lee, W. K.; Jong-Ryeul, S.

    2017-12-01

    This study identified chemical hazard and risk levels in Korea by analyzing the spatial distribution of chemical factories and accidents. The number of chemical factories and accidents in 5-km2 grids were used as the attribute value for spatial analysis. First, semi-variograms were conducted to examine spatial distribution patterns and to identify spatial autocorrelation of chemical factories and accidents. Semi-variograms explained that the spatial distribution of chemical factories and accidents were spatially autocorrelated. Second, the results of the semi-variograms were used in Ordinary Kriging to estimate chemical hazard and risk level. The level values were extracted from the Ordinary Kriging result and their spatial similarity was examined by juxtaposing the two values with respect to their location. Six peaks were identified in both the hazard and risk estimation result, and the peaks correlated with major cities in Korea. Third, the estimated hazard and risk levels were classified with geometrical interval and could be classified into four quadrants: Low Hazard and Low Risk (LHLR), Low Hazard and High Risk (LHHR), High Hazard and Low Risk (HHLR), and High Hazard and High Risk (HHHR). The 4 groups identified different chemical safety management issues in Korea; relatively safe LHLR group, many chemical reseller factories were found in HHLR group, chemical transportation accidents were in the LHHR group, and an abundance of factories and accidents were in the HHHR group. Each quadrant represented different safety management obstacles in Korea, and studying spatial differences can support the establishment of an efficient risk management plan.

  18. The application of atomic absorption spectrometry to chemical analysis

    International Nuclear Information System (INIS)

    Walsh, A.

    1980-01-01

    YhThe history of the development of atomic absorption methods of elemental analysis is outlined. The theoretical basis of atomic absorption methods is discussed and the principle of modern methods of atomic absorption measurements is described. The advantages, scope and limations of these methods are discussed. Related methods based on the measurement of atomic fluorescence are also described

  19. Physico-chemical Analysis of an Ultisol Polluted with Different ...

    African Journals Online (AJOL)

    Physicochemical analyses were carried out on an ultisol previously polluted with different petroleum products and later treated with poultry droppings than planted with poultry droppings then planted with maize in the. Teaching and research Farm of Benson Idahosa University, Benin City Nigeria. Physicochemical analysis ...

  20. Microbiological and physico-chemical analysis of soymilk and ...

    African Journals Online (AJOL)

    The analysis also indicated high sweetness in 60%, and sourness in 40% of the soymilk samples. There was no significant difference in colour intensity of the soymilk obtained from different purchase points. Similarly, the colour of soyflour showed no variation as all the samples were predominantly light brown. Key Words: ...

  1. Characterization by factor analysis of the chemical facies of ...

    African Journals Online (AJOL)

    ... the rain-dissolution of sulphur bearing compounds from gaseous emanations arising from vehicles and the petroleum refining process respectively, which eventually as acid-rain recharges aquifers in the vicinity. This paper demonstrates the effectiveness of factor analysis in evaluating hydrochemical processes in coastal

  2. Comparative analysis on chemical composition of bentonite clays ...

    African Journals Online (AJOL)

    A combination of some analytical techniques such as X-ray Flourescence (XRF), X-ray diffraction (XRD), infrared spectral (IR) analysis and Scanning electron microscopy (SEM) were employed to characterize bentonite samples from Ashaka and Tango (Gombe State, Nigeria). The results obtained for the two samples were ...

  3. Laser-based molecular spectroscopy for chemical analysis: laser fundamentals.

    NARCIS (Netherlands)

    Moore, D.S.; Vo-Dinh, T.; Velthorst, N.H.; Schrader, B.

    1996-01-01

    This report is 15th in a series on Spectrochemical Methods of Analysis issued by IUPAC Commission V.4. It is concerned with the fundamental properties of lasers as used in analytical molecular spectroscopy in the optical wavelength region. The present report has five main sections: Introduction to

  4. Synthesis and analysis in studies of chemical evolution

    Science.gov (United States)

    Ponnamperuma, C.; Hobish, M. K.; Kobayashi, K.; Hua, L. L.; Senaratne, N.

    1986-01-01

    Studies of the various processes that may have given rise to life on the Earth have demonstrated the appropriateness of an approach that makes use of analysis and synthesis. Analysis of extraterrestrial samples in the form of meteorites has demonstrated the presence of several precursors of biomolecules, most notably a full suite of nucleic acid bases and nucleotides of biological significance. These species were determined after exhaustive extraction of the sample and subsequent analysis using HPLC, GC, MS, and GC-MS. Procedural blanks indicate that these molecules are likely not the result of contamination during the extraction and analysis process. Similar species were found as products of spark discharge experiments in atmospheres thought to mimic primitive Earth conditions. These results indicate that the basic chemistry underlying these syntheses is common, and that life may not be unique to the Earth. Studies underway in the laboratory make use of proton nuclear magnetic resonance spectroscopy as a probe to assess associations between selected amino acids and any of several nucleotides comprising their genetic code and genetic anticode sequences. These studies demonstrate a clear selectivity by the anticode sequences, thus confirming the hydrophobicity studies performed by Lacey et al. These studies further support the contention that life is likely a natural result of the physics and chemistry of the universe.

  5. Chemical Analysis of Asymptotic Giant Branch Stars in M62

    NARCIS (Netherlands)

    Lapenna, E.; Mucciarelli, A.; Ferraro, F. R.; Origlia, L.; Lanzoni, B.; Massari, D.; Dalessandro, E.

    2015-01-01

    We have collected UVES-FLAMES high-resolution spectra for a sample of 6 asymptotic giant branch (AGB) and 13 red giant branch (RGB) stars in the Galactic globular cluster (GC) M62 (NGC 6266). Here we present the detailed abundance analysis of iron, titanium, and light elements (O, Na, Mg, and Al).

  6. Cost-Utility Analysis of Extending Public Health Insurance Coverage to Include Diabetic Retinopathy Screening by Optometrists.

    Science.gov (United States)

    van Katwyk, Sasha; Jin, Ya-Ping; Trope, Graham E; Buys, Yvonne; Masucci, Lisa; Wedge, Richard; Flanagan, John; Brent, Michael H; El-Defrawy, Sherif; Tu, Hong Anh; Thavorn, Kednapa

    2017-09-01

    Diabetic retinopathy (DR) is one of the leading causes of vision loss and blindness in Canada. Eye examinations play an important role in early detection. However, DR screening by optometrists is not always universally covered by public or private health insurance plans. This study assessed whether expanding public health coverage to include diabetic eye examinations for retinopathy by optometrists is cost-effective from the perspective of the health care system. We conducted a cost-utility analysis of extended coverage for diabetic eye examinations in Prince Edward Island to include examinations by optometrists, not currently publicly covered. We used a Markov chain to simulate disease burden based on eye examination rates and DR progression over a 30-year time horizon. Results were presented as an incremental cost per quality-adjusted life year (QALY) gained. A series of one-way and probabilistic sensitivity analyses were performed. Extending public health coverage to eye examinations by optometrists was associated with higher costs ($9,908,543.32) and improved QALYs (156,862.44), over 30 years, resulting in an incremental cost-effectiveness ratio of $1668.43/QALY gained. Sensitivity analysis showed that the most influential determinants of the results were the cost of optometric screening and selected utility scores. At the commonly used threshold of $50,000/QALY, the probability that the new policy was cost-effective was 99.99%. Extending public health coverage to eye examinations by optometrists is cost-effective based on a commonly used threshold of $50,000/QALY. Findings from this study can inform the decision to expand public-insured optometric services for patients with diabetes. Copyright © 2017 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

  7. INCLUDING RISK IN ECONOMIC FEASIBILITY ANALYSIS:A STOCHASTIC SIMULATION MODEL FOR BLUEBERRY INVESTMENT DECISIONS IN CHILE

    Directory of Open Access Journals (Sweden)

    GERMÁN LOBOS

    2015-12-01

    Full Text Available ABSTRACT The traditional method of net present value (NPV to analyze the economic profitability of an investment (based on a deterministic approach does not adequately represent the implicit risk associated with different but correlated input variables. Using a stochastic simulation approach for evaluating the profitability of blueberry (Vaccinium corymbosum L. production in Chile, the objective of this study is to illustrate the complexity of including risk in economic feasibility analysis when the project is subject to several but correlated risks. The results of the simulation analysis suggest that the non-inclusion of the intratemporal correlation between input variables underestimate the risk associated with investment decisions. The methodological contribution of this study illustrates the complexity of the interrelationships between uncertain variables and their impact on the convenience of carrying out this type of business in Chile. The steps for the analysis of economic viability were: First, adjusted probability distributions for stochastic input variables (SIV were simulated and validated. Second, the random values of SIV were used to calculate random values of variables such as production, revenues, costs, depreciation, taxes and net cash flows. Third, the complete stochastic model was simulated with 10,000 iterations using random values for SIV. This result gave information to estimate the probability distributions of the stochastic output variables (SOV such as the net present value, internal rate of return, value at risk, average cost of production, contribution margin and return on capital. Fourth, the complete stochastic model simulation results were used to analyze alternative scenarios and provide the results to decision makers in the form of probabilities, probability distributions, and for the SOV probabilistic forecasts. The main conclusion shown that this project is a profitable alternative investment in fruit trees in

  8. Is Serum Hypovitaminosis D Associated with Chronic Widespread Pain Including Fibromyalgia? A Meta-analysis of Observational Studies.

    Science.gov (United States)

    Hsiao, Ming-Yen; Hung, Chen-Yu; Chang, Ke-Vin; Han, Der-Sheng; Wang, Tyng-Guey

    2015-01-01

    Chronic widespread pain (CWP) is a global musculoskeletal disorder leading to disability and a reduced quality of life. Low levels of serum vitamin D has long been proposed to be associated with CWP, but previous research remains inconclusive. To determine whether hypovitaminosis D was independently associated with CWP. Meta-analysis of observational study. Electronic databases were searched for studies published up to November 2014 comparing the prevalence of hypovitaminosis D and serum vitamin D levels between participants with and without CWP. The crude and adjusted odds ratios (ORs) of hypovitaminosis D with CWP were calculated. Subgroup analysis according to gender, threshold of hypovitaminosis, and definition of patients was performed, as well as meta-regression to test the linear relationship between crude ORs and the latitude of study locations. Twelve studies were included, comprising 1,854 patients with CWP. The patient group showed a significantly higher risk of hypovitaminosis D than the control group (crude OR, 1.63; 95% CI, 1.20-2.23). The association was slightly attenuated after adjusting confounders, with a pooled adjusted OR of 1.41 (95% CI, 1.00-2.00). There was an increase in ORs of hypovitaminosis D using a lower diagnostic value of serum vitamin D (8 and 10 ng/mL). The subgroup analysis according to gender and definition of CWP did not reveal significant between-group differences. The meta-regression showed no linear relationship between latitude and the crude ORs. There was a positive crude association between hypovitaminosis D and CWP, and the association was likely to remain after adjusting confounding factors. Use of a cut-off value of hypovitaminosis D (8-10 ng/mL) could better define the population with and without CWP. Further prospective follow-up studies are warranted to clarify the causal relationship between hypovitaminosis D and CWP.

  9. Virus and Bacterial Cell Chemical Analysis by NanoSIMS

    Energy Technology Data Exchange (ETDEWEB)

    Weber, P; Holt, J

    2008-07-28

    In past work for the Department of Homeland Security, the LLNL NanoSIMS team has succeeded in extracting quantitative elemental composition at sub-micron resolution from bacterial spores using nanometer-scale secondary ion mass spectrometry (NanoSIMS). The purpose of this task is to test our NanoSIMS capabilities on viruses and bacterial cells. This initial work has proven successful. We imaged Tobacco Mosaic Virus (TMV) and Bacillus anthracis Sterne cells using scanning electron microscopy (SEM) and then analyzed those samples by NanoSIMS. We were able resolve individual viral particles ({approx}18 nm by 300 nm) in the SEM and extract correlated elemental composition in the NanoSIMS. The phosphorous/carbon ratio observed in TMV is comparable to that seen in bacterial spores (0.033), as was the chlorine/carbon ratio (0.11). TMV elemental composition is consistent from spot to spot, and TMV is readily distinguished from debris by NanoSIMS analysis. Bacterial cells were readily identified in the SEM and relocated in the NanoSIMS for elemental analysis. The Ba Sterne cells were observed to have a measurably lower phosphorous/carbon ratio (0.005), as compared to the spores produced in the same run (0.02). The chlorine/carbon ratio was approximately 2.5X larger in the cells (0.2) versus the spores (0.08), while the fluorine/carbon ratio was approximately 10X lower in the cells (0.008) than the spores (0.08). Silicon/carbon ratios for both cells and spores encompassed a comparable range. The initial data in this study suggest that high resolution analysis is useful because it allows the target agent to be analyzed separate from particulates and other debris. High resolution analysis would also be useful for trace sample analysis. The next step in this work is to determine the potential utility of elemental signatures in these kinds of samples. We recommend bulk analyses of media and agent samples to determine the range of media compositions in use, and to determine how

  10. Including People with Dementia in Research: An Analysis of Australian Ethical and Legal Rules and Recommendations for Reform.

    Science.gov (United States)

    Ries, Nola M; Thompson, Katie A; Lowe, Michael

    2017-09-01

    Research is crucial to advancing knowledge about dementia, yet the burden of the disease currently outpaces research activity. Research often excludes people with dementia and other cognitive impairments because researchers and ethics committees are concerned about issues related to capacity, consent, and substitute decision-making. In Australia, participation in research by people with cognitive impairment is governed by a national ethics statement and a patchwork of state and territorial laws that have widely varying rules. We contend that this legislative variation precludes a consistent approach to research governance and participation and hinders research that seeks to include people with impaired capacity. In this paper, we present key ethical principles, provide a comprehensive review of applicable legal rules in Australian states and territories, and highlight significant differences and ambiguities. Our analysis includes recommendations for reform to improve clarity and consistency in the law and reduce barriers that may exclude persons with dementia from participating in ethically approved research. Our recommendations seek to advance the national decision-making principles recommended by the Australian Law Reform Commission, which emphasize the rights of all adults to make their own decisions and for those with impaired capacity to have access to appropriate supports to help them make decisions that affect their lives.

  11. Quantum chemical analysis of potential anti-Parkinson agents

    Indian Academy of Sciences (India)

    3-arylcoumarin MAO-B inhibitors (1–9) have been elucidated via molecular docking and density functional theory (DFT) calculations. Intermolecular binding energy components could not be analyzed by docking and due to this limitation, quantum mechanical (QM) calculations including functional B3LYP in association with.

  12. Chemical analysis of outgassing contaminants on spacecraft surfaces

    Science.gov (United States)

    Mcnutt, R. C.

    1973-01-01

    Methods for analyzing and characterizing outgassing contaminants from such materials as RTV 501 potting compound and S 13 G paint are presented. Fractional distillation of a gross distillate from RTV 501 rubber was carried out and the distilled fractions examined as to their ultraviolet and infrared spectra by gas liquid chromatography. A sensitive technique for structural analysis and molecular identification was found to consist of a gas chromatography-mass spectroscopy system, which was determined to be economically unfeasible at present.

  13. Archaeological and chemical analysis of Tell el Yahudiyeh ware

    International Nuclear Information System (INIS)

    Kaplan, M.F.; Harbottle, G.; Sayre, E.V.

    1978-01-01

    Typological and geographic analyses indicate that Tell el Yahudiyeh ware (found in Cyprus, Egypt, Nubia, and the Levant during the Middle Bronze period, c. 1750-1550 B.C.) were probably manufactured in two areas, the Nile Valley and the Levant. Activation analysis was carried out and correlated with the archaeological analyses. Results confirm the two ''families'' of the ware, one Egyptian and one Levantine. Speculations are offered on the social interaction of the period. 11 figures, 2 tables

  14. Material Cycles and Chemicals: Dynamic Material Flow Analysis of Contaminants in Paper Recycling

    DEFF Research Database (Denmark)

    Pivnenko, Kostyantyn; Laner, David; Astrup, Thomas Fruergaard

    2016-01-01

    This study provides a systematic approach for assessment of contaminants in materials for recycling. Paper recycling is used as an illustrative example. Three selected chemicals, bisphenol A (BPA), diethylhexyl phthalate (DEHP) and mineral oil hydrocarbons (MOHs), are evaluated within the paper...... cycle. The approach combines static material flow analysis (MFA) with dynamic material and substance flow modeling. The results indicate that phasing out of chemicals is the most effective measure for reducing chemical contamination. However, this scenario was also associated with a considerable lag...... phase (between approximately one and three decades) before the presence of chemicals in paper products could be considered insignificant. While improved decontamination may appear to be an effective way of minimizing chemicals in products, this may also result in lower production yields. Optimized waste...

  15. Elevation of sulfatides in ovarian cancer: An integrated transcriptomic and lipidomic analysis including tissue-imaging mass spectrometry

    Directory of Open Access Journals (Sweden)

    McDonald John F

    2010-07-01

    Full Text Available Abstract Background Sulfatides (ST are a category of sulfated galactosylceramides (GalCer that are elevated in many types of cancer including, possibly, ovarian cancer. Previous evidence for elevation of ST in ovarian cancer was based on a colorimetric reagent that does not provide structural details and can also react with other lipids. Therefore, this study utilized mass spectrometry for a structure-specific and quantitative analysis of the types, amounts, and tissue localization of ST in ovarian cancer, and combined these findings with analysis of mRNAs for the relevant enzymes of ST metabolism to explore possible mechanisms. Results Analysis of 12 ovarian tissues graded as histologically normal or having epithelial ovarian tumors by liquid chromatography electrospray ionization-tandem mass spectrometry (LC ESI-MS/MS established that most tumor-bearing tissues have higher amounts of ST. Because ovarian cancer tissues are comprised of many different cell types, histological tissue slices were analyzed by matrix-assisted laser desorption ionization-tissue-imaging MS (MALDI-TIMS. The regions where ST were detected by MALDI-TIMS overlapped with the ovarian epithelial carcinoma as identified by H & E staining and histological scoring. Furthermore, the structures for the most prevalent species observed via MALDI-TIMS (d18:1/C16:0-, d18:1/C24:1- and d18:1/C24:0-ST were confirmed by MALDI-TIMS/MS, whereas, a neighboring ion(m/z 885.6 that was not tumor specific was identified as a phosphatidylinositol. Microarray analysis of mRNAs collected using laser capture microdissection revealed that expression of GalCer synthase and Gal3ST1 (3'-phosphoadenosine-5'-phosphosulfate:GalCer sulfotransferase were approximately 11- and 3.5-fold higher, respectively, in the ovarian epithelial carcinoma cells versus normal ovarian stromal tissue, and they were 5- and 2.3-fold higher in comparison with normal surface ovarian epithelial cells, which is a likely

  16. Physical, chemical and microbial analysis of bottled drinking water.

    Science.gov (United States)

    Sasikaran, S; Sritharan, K; Balakumar, S; Arasaratnam, V

    2012-09-01

    People rely on the quality of the bottled drinking water, expecting it to be free of microbial contamination and health hazards. To evaluate the quality of bottled drinking water sold in Jaffna peninsula by analysing the physical, chemical and microbial contents and comparing with the recommended Sri Lankan Standard (SLS) values. All bottled water samples sold in Jaffna peninsula were collected. Electrical conductivity, total dissolved solid, pH, calcium, nitrate, total aerobic and anaerobic count, coliform bacterial count and faecal contamination were checked. These are 22 brands of bottled drinking water sold in Jaffna peninsula. The sample had very low electrical conductivity when compared with SLS (750 μS/ cm) and varied from 19 to 253 μS/cm with the mean of 80.53 (±60.92) μS/cm. The pH values of the bottled drinking water brands varied from 4.11 to 7.58 with a mean of 6.2 (±0.75). The total dissolved solid content of the bottled drinking water brands varied from 9 to 123.67 mg/l with a mean of 39.5 (±30.23) mg/l. The calcium content of the bottled drinking water brands varied from 6.48 to 83.77 mg/l with a mean of 49.9 (±25.09) mg/l. The nitrate content of the bottled drinking water brands varied from 0.21 to 4.19 mg/l with the mean of 1.26 (±1.08) mg/l. Aerobic bacterial count varied from 0 to 800 colony forming unit per ml (cfu/ml) with a mean of 262.6 (±327.50) cfu/ml. Among the 22 drinking bottled water brands 14 and 9% of bottled drinking water brands showed fungal and coliform bacterial contaminants respectively. The water brands which contained faecal contamination had either Escherichia coli or Klebsiella spp. The bottled drinking water available for sale do not meet the standards stipulated by SLS.

  17. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    OpenAIRE

    Hanwell, Marcus D; Curtis, Donald E; Lonie, David C; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R

    2012-01-01

    Abstract Background The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as i...

  18. Chemical analysis of organic molecules in carbonaceous meteorites

    OpenAIRE

    Torrao Pinto Martins, Zita Carla

    2007-01-01

    Meteorites are extraterrestrial objects that survive the passage through the Earth’s atmosphere and impact the Earth's surface. They can be divided into several classes, the carbonaceous chondrites being one of them. Carbonaceous chondrites are the oldest and best preserved meteorites and contain a record of the birth of the solar system. They are rich in carbon, containing up to 3 wt% of organic carbon. Carbonaceous chondrites have a rich organic inventory that includes, among others, amino ...

  19. Analysis of chemical signatures of alkaliphiles using fatty acid methyl ester analysis

    Directory of Open Access Journals (Sweden)

    Basha Sreenivasulu

    2017-01-01

    Full Text Available Background: Fatty acids occur in nearly all living organisms as the important predominant constituents of lipids. While all fatty acids have essentially the same chemical nature, they are an extremely diverse group of compounds. Materials and Methods: To test the hypothesis, fatty acids of alkaliphiles isolates, Bacillus subtilis SVUNM4, Bacillus licheniformis SVUNM8, Bacillus methylotrohicus SVUNM9, and Paenibacillus dendritiformis SVUNM11, were characterized compared using gas chromatography-mass spectrometry (GC-MS analysis. Results: The content of investigated ten fatty acids, 1, 2-benzenedicarboxylic acid butyl 2-methylpropyl ester, phthalic acid, isobutyl 2-pentyl ester, dibutyl phthalate, cyclotrisiloxane, hexamethyl, cyclotetrasiloxane, octamethyl, dodecamethyl, heptasiloxane 1,1,3,3,5,5,7,7,9,9,11,11,13,13-etradecamethyl, 7,15-dihydroxydehydroabietic acid, methyl ester, di (trimethylsilyl ether, hentriacontane, 2-thiopheneacetic acid, undec-2-enyl ester, obviously varied among four species, suggesting each species has its own fatty acid pattern. Conclusions: These findings demonstrated that GC-MS-based fatty acid profiling analysis provides the reliable platform to classify these four species, which is helpful for ensuring their biotechnological interest and novel chemotaxonomic.

  20. Software for analysis of chemical mixtures--composition, occurrence, distribution, and possible toxicity

    Science.gov (United States)

    Scott, Jonathon C.; Skach, Kenneth A.; Toccalino, Patricia L.

    2013-01-01

    The composition, occurrence, distribution, and possible toxicity of chemical mixtures in the environment are research concerns of the U.S. Geological Survey and others. The presence of specific chemical mixtures may serve as indicators of natural phenomena or human-caused events. Chemical mixtures may also have ecological, industrial, geochemical, or toxicological effects. Chemical-mixture occurrences vary by analyte composition and concentration. Four related computer programs have been developed by the National Water-Quality Assessment Program of the U.S. Geological Survey for research of chemical-mixture compositions, occurrences, distributions, and possible toxicities. The compositions and occurrences are identified for the user-supplied data, and therefore the resultant counts are constrained by the user’s choices for the selection of chemicals, reporting limits for the analytical methods, spatial coverage, and time span for the data supplied. The distribution of chemical mixtures may be spatial, temporal, and (or) related to some other variable, such as chemical usage. Possible toxicities optionally are estimated from user-supplied benchmark data. The software for the analysis of chemical mixtures described in this report is designed to work with chemical-analysis data files retrieved from the U.S. Geological Survey National Water Information System but can also be used with appropriately formatted data from other sources. Installation and usage of the mixture software are documented. This mixture software was designed to function with minimal changes on a variety of computer-operating systems. To obtain the software described herein and other U.S. Geological Survey software, visit http://water.usgs.gov/software/.

  1. 3D thermo-chemical-mechanical analysis of the pultrusion process

    DEFF Research Database (Denmark)

    Baran, Ismet; Hattel, Jesper Henri; Tutum, Cem C.

    2013-01-01

    In the present study, a 3D Eulerian thermo-chemical analysis is sequentially coupled with a 3D Lagrangian quasi static mechanical analysis of the pultrusion process. The temperature and degree of cure profiles at the steady state are first calculated in the thermo-chemical analysis. In the mechan......In the present study, a 3D Eulerian thermo-chemical analysis is sequentially coupled with a 3D Lagrangian quasi static mechanical analysis of the pultrusion process. The temperature and degree of cure profiles at the steady state are first calculated in the thermo-chemical analysis....... In the mechanical analysis, the developments of the process induced stresses and distortions during the process are predicted using the already obtained temperature and degree of cure profiles together with the glass transition temperature. The predictions of the transverse transient stresses and distortions...... are found to be similar as compared to the available data in the literature. Using the proposed 3D mechanical analysis, different mechanical behaviour is obtained for the longitudinal stress development as distinct from the stress development in the transverse directions. Even though the matrix material...

  2. Angelica sinensis in China-A review of botanical profile, ethnopharmacology, phytochemistry and chemical analysis.

    Science.gov (United States)

    Wei, Wen-Long; Zeng, Rui; Gu, Cai-Mei; Qu, Yan; Huang, Lin-Fang

    2016-08-22

    Angelica sinensis (Oliv.) Diels, known as Dang Gui (in Chinese), is a traditional medicinal and edible plant that has long been used for tonifying, replenishing, and invigorating blood as well as relieving pain, lubricating the intestines, and treating female irregular menstruation and amenorrhea. A. sinensis has also been used as a health product and become increasingly popular in China, Japan, and Korea. This paper aims to provide a systemic review of traditional uses of A. sinensis and its recent advances in the fields of phytochemistry, analytical methods and toxicology. In addition, possible trends, therapeutic potentials, and perspectives for future research of this plant are also briefly discussed. An extensive review of the literature was conducted, and electronic databases including China National Knowledge Infrastructure, PubMed, Google Scholar, Science Direct, and Reaxys were used to assemble the data. Ethnopharmacological literature and digitalised sources of academic libraries were also systematically searched. In addition, information was obtained from local books and The Plant List (TPL, www.theplantlist.org). This study reviews the progress in chemical analysis of A. sinensis and its preparations. Previously and newly established methods, including spectroscopy, thin-layer chromatography (TLC), gas chromatography (GC), high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography(UPLC), and nuclear magnetic resonance analysis (NMR), are summarized. Moreover, identified bioactive components such as polysaccharides, ligustilide and ferulic acid were reviewed, along with analytical methods for quantitative and qualitative determination of target analytes, and fingerprinting authentication, quality evaluation of A. sinensis, and toxicology and pharmacodynamic studies. Scientific reports on crude extracts and pure compounds and formulations revealed a wide range of pharmacological activities, including anti-inflammatory activity

  3. An integrative omics perspective for the analysis of chemical signals in ecological interactions.

    Science.gov (United States)

    Brunetti, A E; Carnevale Neto, F; Vera, M C; Taboada, C; Pavarini, D P; Bauermeister, A; Lopes, N P

    2018-03-05

    All living organisms emit, detect, and respond to chemical stimuli, thus creating an almost limitless number of interactions by means of chemical signals. Technological and intellectual advances in the last two decades have enabled chemical signals analyses at several molecular levels, including gene expression, molecular diversity, and receptor affinity. These advances have also deepened our understanding of nature to encompass interactions at multiple organism levels across different taxa. This tutorial review describes the most recent analytical developments in 'omics' technologies (i.e., genomics, transcriptomics, proteomics, and metabolomics) and provide recent examples of its application in studies of chemical signals. We highlight how studies have integrated an enormous amount of information generated from different omics disciplines into one publicly available platform. In addition, we stress the importance of considering different signal modalities and an evolutionary perspective to establish a comprehensive understanding of chemical communication.

  4. Mineralogical, chemical, and petrographic analysis of selected rock samples

    International Nuclear Information System (INIS)

    Roy, D.M.

    1976-01-01

    I. The majority of rocks examined from the NTS were found to be siltstones, varying from coarse into the very fine siltstone range, and containing > 60% quartz, usually much higher. Samples of the UEIL series of cores, in contrast, had a large clay mineral fraction, as well as some carbonate present. A few were intermediate silty claystones or argillites. Microphotographs are included to illustrate the variations in texture observed, while most of the data obtained are summarized in tabular form. II. Seven Michigan Salina evaporite specimens were analyzed

  5. Analysis of abused drugs by selected ion monitoring: quantitative comparison of electron impact and chemical ionization

    International Nuclear Information System (INIS)

    Foltz, R.L.; Knowlton, D.A.; Lin, D.C.K.; Fentiman, A.F. Jr.

    1975-01-01

    A comparison was made of the relative sensitivities of electron impact and chemical ionization when used for selected ion monitoring analysis of commonly abused drugs. For most of the drugs examined chemical ionization using ammonia as the reactant gas gave the largest single m/e ion current response per unit weight of sample. However, if maximum sensitivity is desired it is important to evaluate electron impact and chemical ionization with respect to both maximum response and degree of interference from background and endogenous materials

  6. Thermodynamic analysis of a dual power-hydrogen production system based on chemical-looping combustion

    OpenAIRE

    Urdiales, Álvaro; Jiménez Alvaro, Ángel; Sánchez Orgaz, Susana; González Fernández, M. Celina

    2016-01-01

    Chemical-looping hydrogen generation (CLHG) is a chemical-looping combustion variant that allows simultaneous production of power and hydrogen. A thermodynamic analysis from the exergy method point of view of an integrated syngas-fueled CLHG cycle is carried out with the aim of contributing to the conceptual understanding and development of CLHG systems. The cycle working point is optimized in a range of conditions. The proposed system shows a very interesting potential for power, hydrogen an...

  7. Analysis of multivariate extreme intakes of food chemicals.

    Science.gov (United States)

    Paulo, M J; van der Voet, H; Wood, J C; Marion, G R; van Klaveren, J D

    2006-07-01

    A recently published multivariate Extreme Value Theory (EVT) model is applied to the estimation of population risks associated with dietary intake of pesticides. The objective is to quantify the acute risk of pesticide intake above a threshold and relate it to the consumption of specific primary food products. As an example daily intakes of a pesticide from three foods are considered. The method models and extrapolates simultaneous intakes of pesticide, and estimates probability of exceeding unobserved large intakes. Multivariate analysis was helpful in identifying whether the avoidance of certain food combinations would reduce the likelihood of exceeding a threshold. We argue that the presented method can be an important contribution to exposure assessment studies.

  8. Instrumental neutron activation analysis, a valuable link in chemical metrology

    International Nuclear Information System (INIS)

    Zeisler, R.; Lindstrom, R.M.; Greenberg, R.R.

    2002-01-01

    Instrumental neutron activation analysis (INAA) is sufficiently versatile to establish a direct link to the amount of substance determined. The inherent quality parameters of INAA, such as being virtually free of blank, having fully accountable effects of matrix and physical form, and operating over a huge range of amounts, allows the comparison of a mole (or its fraction) of a pure element with the amount of substance in the sample analyzed with the same direct relationship as a beam balance provides. Indeed, varieties of this approach are in common use in INAA in the comparator methods of quantitation. To eliminate possible perturbations of the traceability chain as they may occur in common INAA practice, experimental measurements have been set up that only involve the fraction of a mole of the element(s) of interest in form of the pure element, compound or certified standard and the unknown sample. This principle has been used in INAA measurements for certification value assignment of high temperature alloy SRMs. To further demonstrate the performance parameters of INAA, we selected the determination of chromium in SRM 1152a Stainless Steel by direct non-destructive comparison with the pure metal in form of crystalline chromium. The measurements were validated with weighed aliquots of SRM 3112a dried on filter paper pellets. The experimental results do not show deviations beyond the uncertainties of the SRMs (≤ 0.2 % relative), and the assessment of the uncertainty budget indicates that expanded uncertainties of ≤ 0.3 % are achievable. The measurements demonstrate that INAA can meet the CCQM definition of a primary ratio method of analysis

  9. Combining Antidepressants in Acute Treatment of Depression: A Meta-Analysis of 38 Studies Including 4511 Patients

    Science.gov (United States)

    Henssler, Jonathan; Bschor, Tom

    2016-01-01

    Objective: Combining antidepressants (ADs) for therapy of acute depression is frequently employed, but randomized studies have yielded conflicting results. We conducted a systematic review and meta-analysis aimed at determining efficacy and tolerability of combination therapy. Methods: MEDLINE, Embase, PsycINFO, and CENTRAL databases were systematically searched through March 2014 for controlled studies comparing combinations of ADs with AD monotherapy in adult patients suffering from acute depression. The prespecified primary outcome was standardized mean difference (SMD), secondary outcomes were response, remission, and dropouts. Results: Among 8688 articles screened, 38 studies were eligible, including 4511 patients. Combination treatment was statistically, significantly superior to monotherapy (SMD 0.29; 95% CI 0.16 to 0.42). During monotherapy, slightly fewer patients dropped out due to adverse events (OR 0.90; 95% CI 0.53 to 1.53). Studies were heterogeneous (I2 = 63%), and there was indication of moderate publication bias (fail-safe N for an effect of 0.1:44), but results remained robust across prespecified secondary outcomes and subgroups, including analyses restricted to randomized controlled trials and low risk of bias studies. Meta-regression revealed an association of SMD with difference in imipramine-equivalent dose. Combining a reuptake inhibitor with an antagonist of presynaptic α2-autoreceptors was superior to other combinations. Conclusion: Combining ADs seems to be superior to monotherapy with only slightly more patients dropping out. Combining a reuptake inhibitor with an antagonist of presynaptic α2-autoreceptors seems to be significantly more effective than other combinations. Overall, our search revealed a dearth of well-designed studies. PMID:27582451

  10. Combining Antidepressants in Acute Treatment of Depression: A Meta-Analysis of 38 Studies Including 4511 Patients.

    Science.gov (United States)

    Henssler, Jonathan; Bschor, Tom; Baethge, Christopher

    2016-01-01

    Combining antidepressants (ADs) for therapy of acute depression is frequently employed, but randomized studies have yielded conflicting results. We conducted a systematic review and meta-analysis aimed at determining efficacy and tolerability of combination therapy. MEDLINE, Embase, PsycINFO, and CENTRAL databases were systematically searched through March 2014 for controlled studies comparing combinations of ADs with AD monotherapy in adult patients suffering from acute depression. The prespecified primary outcome was standardized mean difference (SMD), secondary outcomes were response, remission, and dropouts. Among 8688 articles screened, 38 studies were eligible, including 4511 patients. Combination treatment was statistically, significantly superior to monotherapy (SMD 0.29; 95% CI 0.16 to 0.42). During monotherapy, slightly fewer patients dropped out due to adverse events (OR 0.90; 95% CI 0.53 to 1.53). Studies were heterogeneous (I(2) = 63%), and there was indication of moderate publication bias (fail-safe N for an effect of 0.1:44), but results remained robust across prespecified secondary outcomes and subgroups, including analyses restricted to randomized controlled trials and low risk of bias studies. Meta-regression revealed an association of SMD with difference in imipramine-equivalent dose. Combining a reuptake inhibitor with an antagonist of presynaptic α2-autoreceptors was superior to other combinations. Combining ADs seems to be superior to monotherapy with only slightly more patients dropping out. Combining a reuptake inhibitor with an antagonist of presynaptic α2-autoreceptors seems to be significantly more effective than other combinations. Overall, our search revealed a dearth of well-designed studies. © The Author(s) 2016.

  11. Chemical Analysis of Extracts from Newfoundland Berries and Potential Neuroprotective Effects

    Directory of Open Access Journals (Sweden)

    Mohammad Z. Hossain

    2016-10-01

    Full Text Available Various species of berries have been reported to contain several polyphenolic compounds, such as anthocyanins and flavonols, which are known to possess high antioxidant activity and may be beneficial for human health. To our knowledge, a thorough chemical analysis of polyphenolics in species of these plants native to Newfoundland, Canada has not been conducted. The primary objective of this study was to determine the polyphenolic compounds present in commercial extracts from Newfoundland berries, which included blueberries (V. angustifolium, lingonberries (V. vitis-idaea and black currant (Ribes lacustre. Anthocyanin and flavonol glycosides in powdered extracts from Ribes lacustre and the Vaccinium species were identified using the high performance liquid chromatographic (HPLC separation method with mass spectrometric (MS detection. The identified compounds were extracted from dried berries by various solvents via ultrasonication followed by centrifugation. A reverse-phase analytical column was employed to identify the retention time of each chemical component before submission for LC–MS analysis. A total of 21 phenolic compounds were tentatively identified in the three species. Further, we tested the effects of the lingonberry extract for its ability to protect neurons and glia from trauma utilizing an in vitro model of cell injury. Surprisingly, these extracts provided complete protection from cell death in this model. These findings indicate the presence of a wide variety of anthocyanins and flavonols in berries that grow natively in Newfoundland. These powdered extracts maintain these compounds intact despite being processed from berry fruit, indicating their potential use as dietary supplements. In addition, these recent findings and previous data from our lab demonstrate the ability of compounds in berries to protect the nervous system from traumatic insults.

  12. Statistic analysis of grouping in evaluation of the behavior of stable chemical elements and physical-chemical parameters in effluent from uranium mining

    International Nuclear Information System (INIS)

    Pereira, Wagner de S.

    2013-01-01

    The Ore Treatment Unit (UTM) is a uranium mine off. The statistical analysis of clustering was used to evaluate the behavior of stable chemical elements and physico-chemical variables in their effluents. The use of cluster analysis proved effective in the evaluation, allowing to identify groups of chemical elements in physico-chemical variables and group analyzes (element and variables ). As a result, we can say, based on the analysis of the data, a strong link between Ca and Mg and between Al and TR 2 O 3 (rare earth oxides) in the UTM effluents. The SO 4 was also identified as strongly linked to total solids and dissolved and these linked to electrical conductivity. Other associations existed, but were not as strongly linked. Additional collections for seasonal evaluation are required so that assessments can be confirmed. Additional statistics analysis (ordination techniques) should be used to help identify the origins of the groups identified in this analysis. (author)

  13. Integrated Process Design, Control and Analysis of Intensified Chemical Processes

    DEFF Research Database (Denmark)

    Mansouri, Seyed Soheil

    distillation column. Next, these design methods are extended using element concept to also include ternary as well as multicomponent reactive distillation processes. The element concept is used to translate a ternary system of compounds (A + B ↔ C) to a binary system of elements (WA and WB). When only two...... elements are needed to represent the reacting system of more than two compounds, a binary element system is identified. In the case of multi-element reactive distillation processes (where more than two elements are encountered) the equivalent element concept is used to translate a multicomponent (multi......-element) system of compounds (A + B ↔ C + D) to a binary system of key elements (elements WHK and WLK). For an energy-efficient design, non-reactive driving force (for binary non-reactive distillation), reactive driving force (for binary element systems) and binary-equivalent driving force (for multicomponent...

  14. Analysis of Food Contaminants, Residues, and Chemical Constituents of Concern

    Science.gov (United States)

    Ismail, Baraem; Reuhs, Bradley L.; Nielsen, S. Suzanne

    The food chain that starts with farmers and ends with consumers can be complex, involving multiple stages of production and distribution (planting, harvesting, breeding, transporting, storing, importing, processing, packaging, distributing to retail markets, and shelf storing) (Fig. 18.1). Various practices can be employed at each stage in the food chain, which may include pesticide treatment, agricultural bioengineering, veterinary drug administration, environmental and storage conditions, processing applications, economic gain practices, use of food additives, choice of packaging material, etc. Each of these practices can play a major role in food quality and safety, due to the possibility of contamination with or introduction (intentionally and nonintentionally) of hazardous substances or constituents. Legislation and regulation to ensure food quality and safety are in place and continue to develop to protect the stakeholders, namely farmers, consumers, and industry. [Refer to reference (1) for information on regulations of food contaminants and residues.

  15. In Situ Chemical Mapping and Analysis of Stardust Impact Tracks: Isolation of Cometary Signal

    Science.gov (United States)

    Ishii, H. A.; Brennan, S.; Luening, K.; Ignatyev, K.; Pianetta, P.; Bradley, J. P.

    2006-12-01

    Since the Stardust mission returned in January 2006 with particles from the coma of Comet P/Wild-2, several research groups at synchrotrons around the world have been involved in the Preliminary Examination of Stardust comet dust captured in silica aerogel cells. In situ analysis by x-ray microprobe of intact particle deceleration tracks, impact tracks, in the aerogel collection medium provides the chemical distribution of the cometary material. This includes the typically larger-grained and robust particles deposited at the track terminus as well as the more fine-grained and dispersed material that is deposited near the track entrance and is less accessible to traditional mineralogy studies by TEM. X-ray microprobes on synchrotron sources are powerful tools that can provide compositions of elements present only in trace quantities. Chemical maps and quantitative compositions of impact tracks and their terminal particles have been reported for the set of Stardust samples analyzed during the Preliminary Examination. A significant issue that arose in this process was how to distinguish the background contribution arising from contamination in the aerogel collection medium itself. These elements are present in addition to the ubiquitous Si in the aerogel, vary in concentration from cell to cell and include elements such as Fe and Ca that are relevant to the mineralogy and chemistry of the Stardust samples. Proper removal of this background is necessary for accurate results. We present an approach based on thresholds for distinguishing between the synchrotron x-ray fluorescence originating from the cometary material and that originating from the aerogel and contaminants. Results of this method applied to Stardust tracks are also presented. This approach may be used on any sample in a matrix containing elements of interest in the sample itself.

  16. Finite Element Modeling and Analysis of Nonlinear Impact and Frictional Motion Responses Including Fluid—Structure Coupling Effects

    Directory of Open Access Journals (Sweden)

    Yong Zhao

    1997-01-01

    Full Text Available A nonlinear three dimensional (3D single rack model and a nonlinear 3D whole pool multi-rack model are developed for the spent fuel storage racks of a nuclear power plant (NPP to determine impacts and frictional motion responses when subjected to 3D excitations from the supporting building floor. The submerged free standing rack system and surrounding water are coupled due to hydrodynamic fluid-structure interaction (FSI using potential theory. The models developed have features that allow consideration of geometric and material nonlinearities including (1 the impacts of fuel assemblies to rack cells, a rack to adjacent racks or pool walls, and rack support legs to the pool floor; (2 the hydrodynamic coupling of fuel assemblies with their storing racks, and of a rack with adjacent racks, pool walls, and the pool floor; and (3 the dynamic motion behavior of rocking, twisting, and frictional sliding of rack modules. Using these models 3D nonlinear time history dynamic analyses are performed per the U.S. Nuclear Regulatory Commission (USNRC criteria. Since few such modeling, analyses, and results using both the 3D single and whole pool multiple rack models are available in the literature, this paper emphasizes description of modeling and analysis techniques using the SOLVIA general purpose nonlinear finite element code. Typical response results with different Coulomb friction coefficients are presented and discussed.

  17. Comprehensive capacitance-voltage analysis including quantum effects for high-k interfaces on germanium and other alternative channel materials

    Science.gov (United States)

    Anwar, Sarkar R. M.

    High mobility alternative channel materials to silicon are critical to the continued scaling of metal oxide semiconductor (MOS) devices. However, before they can be incorporated into advanced devices, some major issues need to be solved. The high mobility materials suffer from lower allowable thermal budgets compared to Si (before desorption and defect formation becomes an issue) and the absence of a good quality native oxide has further increased the interest in the use of high-k dielectrics. However, the high interface state density and high electric fields at these semiconductor/high-k interfaces can significantly impact the capacitance-voltage (C-V) profile, and current C-V modeling software cannot account for these effects. This in turn affects the parameters extracted from the C-V data of the high mobility semiconductor/high-k interface, which are crucial to fully understand the interface properties and expedite process development. To address this issue, we developed a model which takes into account quantum corrections which can be applied to a number of these alternative channel materials including SixGe1-x, Ge, InGaAs, and GaAs. The C-V simulation using this QM correction model is orders of magnitude faster compared to a full band Schrodinger-Poisson solver. The simulated C-V is directly benchmarked to a self consistent Schrodinger-Poisson solution for each bulk semiconductor material, and from the benchmarking process the QM correction parameters are extracted. The full program, C-V Alternative Channel Extraction (CV ACE), incorporates a quantum mechanical correction model, along with the interface state density model, and can extract device parameters such as equivalent oxide thickness (EOT), doping density and flat band voltage (Vfb) as well as the interface state density profile using multiple measurements performed at different frequencies and temperatures, simultaneously. The program was used to analyze experimentally measured C-V profiles and the

  18. Chemical analysis of bioactive substances in seven siberian Saussurea species

    Science.gov (United States)

    Avdeeva, Elena; Reshetov, Yaroslav; Shurupova, Margarita; Zibareva, Larisa; Borisova, Evgeniia; Belousov, Mikhail

    2017-11-01

    Main groups of biologically active substances of seven siberian Saussurea species (S. controversa DC., S. latifolia Ledeb., S. parviflora (Poir.) DC., S. frolowii Ledeb, S. amara (L.) DC., S. salicifolia (L.) DC. and S. daurica Adams) have been studied using paper, thin-layer, performance liquid chromatography, IR spectroscopy, spectrophotometry and mass spectrometry with inductively coupled plasma. Siberian Saussurea species have a rich elemental composition and contain a variety of phenolic compounds, amino acids, polysaccharides. The majority of polysaccharides are accumulated by S. controversa, S. salicifolia and S. frolowii. These plants contain a significant amount of calcium that may be a species characteristic. All plants contain quercetin and its glycosides, in some species luteolin, kaempferol, glycosides of apigenin and myricetin were revealed. Phenolic acids with predominant content of caffeic, chlorogenic and cinnamic acids were found in all the species. The maximum amount of phenolic acids and flavonoids was determined in the grass of S. latifolia, S. controversa and S. daurica. Characteristic absorption bands of lactone carbonyl of sesquiterpenoids in IR spectrum found in S. latifolia, S. controversa, S. daurica, S. amara and S. salicifolia. HPLC / UV analysis showed that peaks with absorption maxima of 242-246 nm due to the presence of α,β-unsaturated ketone group in the structure of ecdysteroids were found in S. salicifolia, S. controversa, S. daurica and S. latifolia.

  19. Hydrogen fluoride (HF) substance flow analysis for safe and sustainable chemical industry.

    Science.gov (United States)

    Kim, Junbeum; Hwang, Yongwoo; Yoo, Mijin; Chen, Sha; Lee, Ik-Mo

    2017-11-01

    In this study, the chemical substance flow of hydrogen fluoride (hydrofluoric acid, HF) in domestic chemical industries in 2014 was analyzed in order to provide a basic material and information for the establishment of organized management system to ensure safety during HF applications. A total of 44,751 tons of HF was made by four domestic companies (in 2014); import amount was 95,984 tons in 2014 while 21,579 tons of HF was imported in 2005. The export amount of HF was 2180 tons, of which 2074 ton (China, 1422 tons, U.S. 524 tons, and Malaysia, 128 tons) was exported for the manufacturing of semiconductors. Based on the export and import amounts, it can be inferred that HF was used for manufacturing semiconductors. The industries applications of 161,123 tons of HF were as follows: manufacturing of basic inorganic chemical substance (27,937 tons), manufacturing of other chemical products such as detergents (28,208 tons), manufacturing of flat display (24,896 tons), and manufacturing of glass container package (22,002 tons). In this study, an analysis of the chemical substance flow showed that HF was mainly used in the semiconductor industry as well as glass container manufacturing. Combined with other risk management tools and approaches in the chemical industry, the chemical substance flow analysis (CSFA) can be a useful tool and method for assessment and management. The current CSFA results provide useful information for policy making in the chemical industry and national systems. Graphical abstract Hydrogen fluoride chemical substance flows in 2014 in South Korea.

  20. Analysis of precision in chemical oscillators: implications for circadian clocks

    International Nuclear Information System (INIS)

    D'Eysmond, Thomas; De Simone, Alessandro; Naef, Felix

    2013-01-01

    Biochemical reaction networks often exhibit spontaneous self-sustained oscillations. An example is the circadian oscillator that lies at the heart of daily rhythms in behavior and physiology in most organisms including humans. While the period of these oscillators evolved so that it resonates with the 24 h daily environmental cycles, the precision of the oscillator (quantified via the Q factor) is another relevant property of these cell-autonomous oscillators. Since this quantity can be measured in individual cells, it is of interest to better understand how this property behaves across mathematical models of these oscillators. Current theoretical schemes for computing the Q factors show limitations for both high-dimensional models and in the vicinity of Hopf bifurcations. Here, we derive low-noise approximations that lead to numerically stable schemes also in high-dimensional models. In addition, we generalize normal form reductions that are appropriate near Hopf bifurcations. Applying our approximations to two models of circadian clocks, we show that while the low-noise regime is faithfully recapitulated, increasing the level of noise leads to species-dependent precision. We emphasize that subcomponents of the oscillator gradually decouple from the core oscillator as noise increases, which allows us to identify the subnetworks responsible for robust rhythms. (paper)

  1. Chemical Analysis of Counterfeit Hepatitis C Drug Found in Japan.

    Science.gov (United States)

    Uchiyama, Nahoko; Kamakura, Hiroyuki; Masada, Sayaka; Tsujimoto, Takashi; Hosoe, Junko; Tokumoto, Hiroko; Maruyama, Takuro; Goda, Yukihiro; Hakamatsuka, Takashi

    2017-10-01

    In January 2017, counterfeits of the hepatitis C drug 'HARVONI ® Combination Tablets' (HARVONI ® ) were found at a pharmacy chain through unlicensed suppliers in Japan. A total of five lots of counterfeit HARVONI ® (samples 1-5) bottles were found, and the ingredients of the bottles were all in tablet form. Among them, two differently shaped tablets were present in two of the bottles (categorized as samples 2A, 2B, 4A, and 4B). We analyzed the total of seven samples by high-resolution LC-MS, GC-MS and NMR. In samples 2A, 3 and 4B, sofosbuvir, the active component of another hepatitis C drug, SOVALDI ® Tablets 400 mg (SOVALDI ® ), was detected. In sample 4A, sofosbuvir and ledipasvir, the active components of HARVONI ® , were found. A direct comparison of the four samples and genuine products showed that three samples (2A, 3, 4B) are apparently SOVALDI ® and that sample 2A is HARVONI ® . In samples 1 and 5, several vitamins but none of the active compounds usually found in HARVONI ® (i.e., sofosbuvir and ledipasvir) were detected. Our additional investigation indicates that these two samples are likely to be a commercial vitamin supplement distributed in Japan. Sample 2B, looked entirely different from HARVONI ® and contained several herbal constitutents (such as ephedrine and glycyrrhizin) that are used in Japanese Kampo formulations. A further analysis indicated that sample 2B is likely to be a Kampo extract tablet of Shoseiryuto which is distributed in Japan. Considering this case, it is important to be vigilant to prevent a recurrence of distribution of counterfeit drugs.

  2. Sampling and single particle analysis for the chemical characterisation of fine atmospheric particulates: A review.

    Science.gov (United States)

    Elmes, Michele; Gasparon, Massimo

    2017-11-01

    To better understand the potential environmental and human health impacts of fine airborne particulate matter (APM), detailed physical and chemical characterisation is required. The only means to accurately distinguish between the multiple compositions in APM is by single particle analysis. A variety of methods and instruments are available, which range from filter-based sample collection for off-line laboratory analysis to on-line instruments that detect the airborne particles and generate size distribution and chemical data in real time. There are many reasons for sampling particulates in the ambient atmosphere and as a consequence, different measurement strategies and sampling devices are used depending on the scientific objectives and subsequent analytical techniques. This review is designed as a guide to some of the techniques available for the sampling and subsequent chemical analysis of individual inorganic particles. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Size distribution measurements and chemical analysis of aerosol components

    Energy Technology Data Exchange (ETDEWEB)

    Pakkanen, T.A.

    1995-12-31

    The principal aims of this work were to improve the existing methods for size distribution measurements and to draw conclusions about atmospheric and in-stack aerosol chemistry and physics by utilizing size distributions of various aerosol components measured. A sample dissolution with dilute nitric acid in an ultrasonic bath and subsequent graphite furnace atomic absorption spectrometric analysis was found to result in low blank values and good recoveries for several elements in atmospheric fine particle size fractions below 2 {mu}m of equivalent aerodynamic particle diameter (EAD). Furthermore, it turned out that a substantial amount of analyses associated with insoluble material could be recovered since suspensions were formed. The size distribution measurements of in-stack combustion aerosols indicated two modal size distributions for most components measured. The existence of the fine particle mode suggests that a substantial fraction of such elements with two modal size distributions may vaporize and nucleate during the combustion process. In southern Norway, size distributions of atmospheric aerosol components usually exhibited one or two fine particle modes and one or two coarse particle modes. Atmospheric relative humidity values higher than 80% resulted in significant increase of the mass median diameters of the droplet mode. Important local and/or regional sources of As, Br, I, K, Mn, Pb, Sb, Si and Zn were found to exist in southern Norway. The existence of these sources was reflected in the corresponding size distributions determined, and was utilized in the development of a source identification method based on size distribution data. On the Finnish south coast, atmospheric coarse particle nitrate was found to be formed mostly through an atmospheric reaction of nitric acid with existing coarse particle sea salt but reactions and/or adsorption of nitric acid with soil derived particles also occurred. Chloride was depleted when acidic species reacted

  4. Chemical discrimination of lubricant marketing types using direct analysis in real time time-of-flight mass spectrometry.

    Science.gov (United States)

    Maric, Mark; Harvey, Lauren; Tomcsak, Maren; Solano, Angelique; Bridge, Candice

    2017-06-30

    In comparison to other violent crimes, sexual assaults suffer from very low prosecution and conviction rates especially in the absence of DNA evidence. As a result, the forensic community needs to utilize other forms of trace contact evidence, like lubricant evidence, in order to provide a link between the victim and the assailant. In this study, 90 personal bottled and condom lubricants from the three main marketing types, silicone-based, water-based and condoms, were characterized by direct analysis in real time time of flight mass spectrometry (DART-TOFMS). The instrumental data was analyzed by multivariate statistics including hierarchal cluster analysis, principal component analysis, and linear discriminant analysis. By interpreting the mass spectral data with multivariate statistics, 12 discrete groupings were identified, indicating inherent chemical diversity not only between but within the three main marketing groups. A number of unique chemical markers, both major and minor, were identified, other than the three main chemical components (i.e. PEG, PDMS and nonoxynol-9) currently used for lubricant classification. The data was validated by a stratified 20% withheld cross-validation which demonstrated that there was minimal overlap between the groupings. Based on the groupings identified and unique features of each group, a highly discriminating statistical model was then developed that aims to provide the foundation for the development of a forensic lubricant database that may eventually be applied to casework. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  5. Analysis of Chemical Composition of Non-Ferrous Metal Items from the Ananyino Burial Ground

    Directory of Open Access Journals (Sweden)

    Saprykina Irina А.

    2016-03-01

    Full Text Available The article presents results of an analysis conducted by the authors in order to study chemical composition of items from non-ferrous metals found on the Ananyino burial ground. A number of research methods, including OES, XRF and TXRF was applied to study a selection of 387 samples of arrow- and spearheads, celts, tail-pieces, warhammers, poleaxes, knives and daggers, as well as items of attire and jewelry, some sporadic details of harness and bridle. The fi ndings are quite comparable. The results were classifi ed by the geochemical principle of 1,0% alloyage threshold. It was found out that the sample primarily consists of copper items, including “pure” copper and copper with a wide range of trace elements (particularly, Ni, As, Sb. The core (48% consists of copper items with traces of antimony and arsenic, or “pure” copper (7%, tin or triple bronze (40%; it also includes some other types of alloys based on copper or silver (5%. As the analysis has shown, complex ores seem to be the most probable source of copper. Traditionally, the Urals, the Sayan and the Altay Mountains, Kazakhstan and the Northern Caucasus were regarded as the most probable minefi elds to supply ores to the barren regions of Eastern Europe. While ore sources for products made of metallurgical “pure” copper are localized within the Ural mining and metallurgical region, metal sources for items cast from different groups of alloys (rather than imports of ready-made products require further research.

  6. Transcriptome analysis of the spalax hypoxia survival response includes suppression of apoptosis and tight control of angiogenesis

    Directory of Open Access Journals (Sweden)

    Malik Assaf

    2012-11-01

    Full Text Available Abstract Background The development of complex responses to hypoxia has played a key role in the evolution of mammals, as inadequate response to this condition is frequently associated with cardiovascular diseases, developmental disorders, and cancers. Though numerous studies have used mice and rats in order to explore mechanisms that contribute to hypoxia tolerance, these studies are limited due to the high sensitivity of most rodents to severe hypoxia. The blind subterranean mole rat Spalax is a hypoxia tolerant rodent, which exhibits unique longevity and therefore has invaluable potential in hypoxia and cancer research. Results Using microarrays, transcript abundance was measured in brain and muscle tissues from Spalax and rat individuals exposed to acute and chronic hypoxia for varying durations. We found that Spalax global gene expression response to hypoxia differs from that of rat and is characterized by the activation of functional groups of genes that have not been strongly associated with the response to hypoxia in hypoxia sensitive mammals. Using functional enrichment analysis of Spalax hypoxia induced genes we found highly significant overrepresentation of groups of genes involved in anti apoptosis, cancer, embryonic/sexual development, epidermal growth factor receptor binding, coordinated suppression and activation of distinct groups of transcription factors and membrane receptors, in addition to angiogenic related processes. We also detected hypoxia induced increases of different critical Spalax hub gene transcripts, including antiangiogenic genes associated with cancer tolerance in Down syndrome human individuals. Conclusions This is the most comprehensive study of Spalax large scale gene expression response to hypoxia to date, and the first to use custom Spalax microarrays. Our work presents novel patterns that may underlie mechanisms with critical importance to the evolution of hypoxia tolerance, with special relevance to

  7. Dynamic processes of conceptual change: Analysis of constructing mental models of chemical equilibrium

    Science.gov (United States)

    Chiu, Mei-Hung; Chou, Chin-Cheng; Liu, Chia-Ju

    2002-10-01

    The purpose of this study was to investigate students' mental models of chemical equilibrium using dynamic science assessments. Research in chemical education has shown that students at various levels have misconceptions about chemical equilibrium. According to Chi's theory of conceptual change, the concept of chemical equilibrium has constraint-based features (e.g., random, simultaneous, uniform activities) that might prevent students from deeply understanding the nature of the concept of chemical equilibrium. In this study, we examined how students learned and constructed their mental models of chemical equilibrium in a cognitive apprenticeship context. Thirty 10th-grade students participated in the study: 10 in a control group and 20 in a treatment group. Both groups were presented with a series of hands-on chemical experiments. The students in the treatment group were instructed based on the main features of cognitive apprenticeship (CA), such as coaching, modeling, scaffolding, articulation, reflection, and exploration. However, the students in the control group (non-CA group) learned from the tutor without explicit CA support. The results revealed that the CA group significantly outperformed the non-CA group. The students in the CA group were capable of constructing the mental models of chemical equilibrium - including dynamic, random activities of molecules and interactions between molecules in the microworld - whereas the students in the non-CA group failed to construct similar correct mental models of chemical equilibrium. The study focuses on the process of constructing mental models, on dynamic changes, and on the actions of students (such as self-monitoring/self-correction) who are learning the concept of chemical equilibrium. Also, we discuss the implications for science education.

  8. Time-series metagenomic analysis reveals robustness of soil microbiome against chemical disturbance

    Science.gov (United States)

    Kato, Hiromi; Mori, Hiroshi; Maruyama, Fumito; Toyoda, Atsushi; Oshima, Kenshiro; Endo, Ryo; Fuchu, Genki; Miyakoshi, Masatoshi; Dozono, Ayumi; Ohtsubo, Yoshiyuki; Nagata, Yuji; Hattori, Masahira; Fujiyama, Asao; Kurokawa, Ken; Tsuda, Masataka

    2015-01-01

    Soil microbial communities have great potential for bioremediation of recalcitrant aromatic compounds. However, it is unclear which taxa and genes in the communities, and how they contribute to the bioremediation in the polluted soils. To get clues about this fundamental question here, time-course (up to 24 weeks) metagenomic analysis of microbial community in a closed soil microcosm artificially polluted with four aromatic compounds, including phenanthrene, was conducted to investigate the changes in the community structures and gene pools. The pollution led to drastic changes in the community structures and the gene sets for pollutant degradation. Complete degradation of phenanthrene was strongly suggested to occur by the syntrophic metabolism by Mycobacterium and the most proliferating genus, Burkholderia. The community structure at Week 24 (∼12 weeks after disappearance of the pollutants) returned to the structure similar to that before pollution. Our time-course metagenomic analysis of phage genes strongly suggested the involvement of the ‘kill-the-winner’ phenomenon (i.e. phage predation of Burkholderia cells) for the returning of the microbial community structure. The pollution resulted in a decrease in taxonomic diversity and a drastic increase in diversity of gene pools in the communities, showing the functional redundancy and robustness of the communities against chemical disturbance. PMID:26428854

  9. Use of spectroscopic techniques for the chemical analysis of biomorphic silicon carbide ceramics

    International Nuclear Information System (INIS)

    Pavon, J.M. Cano; Alonso, E. Vereda; Cordero, M.T. Siles; Torres, A. Garcia de; Lopez-Cepero, J.M.

    2005-01-01

    Biomorphic silicon carbide ceramics are a new class of materials prepared by several complex processing steps including pre-processing (shaping, drying, high-temperature pyrolysis in an inert atmosphere) and reaction with liquid silicon to obtain silicon-carbide. The results of industrial process of synthesis (measured by the SiC content) must be evaluated by means of fast analytical methods. In the present work, diverse samples of biomorphic ceramics derived from wood are studied for to evaluate the capability of the different analytical techniques (XPS, LIBS, FT-IR and also atomic spectroscopy applied to previously dissolved samples) for the analysis of these materials. XPS and LIBS gives information about the major components, whereas XPS and FT-IR can be used to evaluate the content of SiC. On the other hand, .the use of atomic techniques (as ICP-MS and ETA-AAS) is more adequate for the analysis of metal ions, specially at trace level. The properties of ceramics depend decisively of the content of chemical elements. Major components found were C, Si, Al, S, B and Na in all cases. Previous dissolution of the samples was optimised by acid attack in an oven under microwave irradiation

  10. Chemical Analysis of Plants that Poison Livestock: Successes, Challenges, and Opportunities.

    Science.gov (United States)

    Welch, Kevin D; Lee, Stephen T; Cook, Daniel; Gardner, Dale R; Pfister, James A

    2018-04-04

    Poisonous plants have a devastating impact on the livestock industry as well as human health. To fully understand the effects of poisonous plants, multiple scientific disciplines are required. Chemical analysis of plant secondary compounds is key to identifying the responsible toxins, characterizing their metabolism, and understanding their effects on animals and humans. In this review, we highlight some of the successes in studying poisonous plants and mitigating their toxic effects. We also highlight some of the remaining challenges and opportunities with regards to the chemical analysis of poisonous plants.

  11. Participation in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater

    Energy Technology Data Exchange (ETDEWEB)

    Joe, Kih Soo; Choi, Kwang Soon; Han, Sun Ho; Suh, Moo Yul; Park, Kyung Kyun; Choi, Ke Chun; Kim, Won Ho

    2000-08-01

    KAERI analytical laboratory participated in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater organized by IAEA Hydrology Laboratory(RAS/8/084). 13 items such as pH, electroconductivity, HCO{sub 3}, Cl, SO{sub 4}, NO{sub 3}, SiO{sub 2}, B, Li, Na, K, Ca, Mg were analyzed. The result of this program showed that KAERI laboratory was ranked within 10% range from top level. An analytical expert in KAERI attended the 'Consultants' Meeting' at IAEA headquater and prepared the guideline for chemical analysis of groundwater.

  12. Participation in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater

    International Nuclear Information System (INIS)

    Joe, Kih Soo; Choi, Kwang Soon; Han, Sun Ho; Suh, Moo Yul; Park, Kyung Kyun; Choi, Ke Chun; Kim, Won Ho

    2000-08-01

    KAERI analytical laboratory participated in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater organized by IAEA Hydrology Laboratory(RAS/8/084). 13 items such as pH, electroconductivity, HCO 3 , Cl, SO 4 , NO 3 , SiO 2 , B, Li, Na, K, Ca, Mg were analyzed. The result of this program showed that KAERI laboratory was ranked within 10% range from top level. An analytical expert in KAERI attended the 'Consultants' Meeting' at IAEA headquater and prepared the guideline for chemical analysis of groundwater

  13. [Relativity of commercial specification of Menthae Herba based on chemical analysis].

    Science.gov (United States)

    Ye, Dan; Zhao, Ming; Shao, Yang; Ouyang, Zhen; Peng, Hua-sheng; Han Bang-xing; Zhang, Wei-wan-qi; Gu, Xue-mei

    2015-01-01

    In order to compare the differences of 35 Menthae Herba samples collected on the market and at producing areas, the contents of six total terpenoids, the essential oil and chromatographic fingerprints were analyzed, which provided evidences for drawing up the commodity specifications and grading criteria of Menthae Herba. GC-MS method was used to analyze the chemical constituents of 35 different samples. The chromatographic fingerprints obtained by using GC were then evaluated by similarity analysis, hierarchical clustering analysis and principal component analysis. The relativity between the content of six terpenoids and the essential oil were studied. In this study, the chemical profiles of 35 samples from different producing areas had significant disparity. All samples collected in the report could be categorized into four chemical types, L-menthol, pulegone, carvone and L-menthone, but the chemical profiles had no relationship with the areas. The chromatographic fingerprints of the samples from different types were dissimilar, while the different producing areas were difficult to be separated. It was indicated that the content of volatile oil was positively correlated with the content of L-menthol and the sum of six total terpenoids. The content of the essential oil, L-menthol and the sum of six total terpenoids of Menthae Herba were considered as one of the commercial specifications and grading criteria. These results in the research could be helpful to draw up the commercial specification and grading criteria of Menthae Herba from a view of chemical information.

  14. Photoacoustic physio-chemical analysis for prostate cancer diagnosis (Conference Presentation)

    Science.gov (United States)

    Xu, Guan; Cheng, Qian; Huang, Shengsong; Qin, Ming; Hopkins, Thomas; Lee, Chang H.; Kopelman, Raoul; Chao, Wan-yu; Keller, Evan T.; Wu, Denglong; Wang, Xueding

    2017-03-01

    Photoacoustic physio-chemical analysis (PAPCA) is a recently developed technology capable of simultaneously quantifying the content of molecular components and the corresponding microarchitectures in biological tissue. We have successfully quantified the diagnostic information in livers with PAPCA. In this study, we implemented PAPCA to the diagnosis of prostate cancers. 4 human prostates were scanned ex vivo. The PA signals from normal and cancerous regions in the prostates were acquired by an interstitial needle PA probe. A total of 14 interstitial measurements, including 6 within the normal regions and 8 in the cancerous regions, were acquired. The observed changes in molecular components, including lipid, collagen and hemoglobin were consistent with the findings by other research groups. The changes were quantified by PA spectral analysis (PASA) at wavelengths where strong optical absorption of the relevant molecular components was found. Statistically significant differences among the PASA parameters were observed (p=0.025 at significance of 0.05). A support vector machine model for differentiating the normal and cancerous tissue was established. With the limited number of samples, an 85% diagnostic accuracy was found. The diagnostic information in the PCPCA can be further enriched by targeted optical contrast agents visualizing the microarchitecture in PCa tissues. F3 PAA-PEG nanoparticles was employed to stain the PCa cells in a transgenic mouse model, in which the microarchitectures of normal and cancerous prostate tissues are comparable to that in human. Statistically significant differences were observed between the contrast-enhanced normal and cancerous regions (p=0.038 at a significance of 0.05).

  15. SWOT analysis for safer carriage of bulk liquid chemicals in tankers.

    Science.gov (United States)

    Arslan, Ozcan; Er, Ismail Deha

    2008-06-15

    The application of strengths, weaknesses, opportunities and threats (SWOT) analysis to formulation of strategy concerned with the safe carriage of bulk liquid chemicals in maritime tankers was examined in this study. A qualitative investigation using SWOT analysis has been implemented successfully for ships that are designed to carry liquid chemicals in bulk. The originality of this study lies in the use of SWOT analysis as a management tool to formulate strategic action plans for ship management companies, ship masters and officers for the carriage of dangerous goods in bulk. With this transportation-based SWOT analysis, efforts were made to explore the ways and means of converting possible threats into opportunities, and changing weaknesses into strengths; and strategic plans of action were developed for safer tanker operation.

  16. Physico- Chemical Analysis of the Upper Reaches of the Imo River ...

    African Journals Online (AJOL)

    Upstream section often recorded higher reading than that of downstream, with the exception of benthic sample most times. Benthic sample showed the highest value in Nitrate, Calcium, turbidity and dissolved solids. Statistical analysis showed significant difference in the physical and chemical results of samples within the ...

  17. Comparison of sodium content of workplace and homemade meals through chemical analysis and salinity measurements.

    Science.gov (United States)

    Shin, Eun-Kyung; Lee, Yeon-Kyung

    2014-10-01

    Most Koreans consume nearly 70-80% of the total sodium through their dishes. The use of a salinometer to measure salinity is recommended to help individuals control their sodium intake. The purpose of this study was to compare sodium content through chemical analysis and salinity measurement in foods served by industry foodservice operations and homemade meals. Workplace and homemade meals consumed by employees in 15 cafeterias located in 8 districts in Daegu were collected and the sodium content was measured through chemical analysis and salinity measurements and then compared. The foods were categorized into 9 types of menus with 103 workplace meals and 337 homemade meals. Workplace meals did not differ significantly in terms of sodium content per 100 g of food but had higher sodium content via chemical analysis in roasted foods per portion. Homemade meals had higher broth salt content and higher salt content by chemical analysis per 100 g of roasted foods and hard-boiled foods. One-dish workplace meals had higher salinity (P content (P content per 100 g of foods was higher in one-dish workplace meals (P content in foods and control one's sodium intake within the daily intake target as a way to promote cooking bland foods at home. However, estimated and actual measured values may differ.

  18. Quantitative analysis of chemical elements in single cells using nuclear microprobe and nano-probe

    International Nuclear Information System (INIS)

    Deves, Guillaume

    2010-01-01

    The study of the role of trace elements at cellular level requires the use of state-of-the-art analytical tools that could achieve enough sensitivity and spatial resolution. We developed a new methodology for the accurate quantification of chemical element distribution in single cells based on a combination of ion beam analysis techniques STIM, PIXE and RBS. The quantification procedure relies on the development of a STIM data analysis software (Paparamborde). Validity of this methodology and limits are discussed here. The method allows the quantification of trace elements (μg/g) with a 19.8 % uncertainty in cellular compartments with mass below 0.1 ng. The main limit of the method lies in the poor number of samples that can be analyzed, due to long irradiation times required and limited access to ion beam analysis facilities. This is the reason why we developed a database for cellular chemical composition capitalization (BDC4). BDC4 has been designed in order to use cellular chemical composition as a tracer for biological activities and is expected to provide in the future reference chemical compositions for any cellular type or compartment. Application of the STIM-PIXE-RBS methodology to the study of nuclear toxicology of cobalt compounds is presented here showing that STIM analysis is absolutely needed when organic mass loss appears during PIXE-RBS irradiation. (author)

  19. Supramolecular chemical shift reagents inducing conformational transitions: NMR analysis of carbohydrate homooligomer mixtures

    DEFF Research Database (Denmark)

    Beeren, Sophie; Meier, Sebastian

    2015-01-01

    We introduce the concept of supramolecular chemical shift reagents as a tool to improve signal resolution for the NMR analysis of homooligomers. Non-covalent interactions with the shift reagent can constrain otherwise flexible analytes inducing a conformational transition that results in signal s...

  20. Chemical analysis of plants that poison livestock: Successes, challenges, and opportunities

    Science.gov (United States)

    Poisonous plants have a devastating impact on the livestock industry, as well as human health. In order to fully understand the effects of poisonous plants, multiple scientific disciplines are required. Chemical analysis of plant secondary compounds is key to identifying the responsible toxins, char...

  1. Chemical analysis by X-ray fluorescence, of niobium in high-strength plate steels

    International Nuclear Information System (INIS)

    Iozzi, F.B.; Dias, M.J.P.

    1981-01-01

    The use of X-ray fluorescence spectrometry in quantitative analysis of niobium in steels, as an alternative solution for optical emission spectrometry, in the rapid chemical control of steel fabrication by LD type converters, is presented. (M.C.K.) [pt

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

    Indian Academy of Sciences (India)

    Microstructure of chemically synthesized wurtzite-type CdS nanocrystals have been investigated by X-ray diffraction (XRD) peak profile analysis by applying different ... stress deformation model (USDM) and uniform deformation energy density model (UDEDM), and transmission electron microscope (TEM) observations.

  3. Chemical amplification-—A novel approach to ultratrace analysis

    Indian Academy of Sciences (India)

    Abstract. The lowest concentration that can be estimated with 100 f); error in chemical analysis by instrumental technique is referred to as detection limit. It is equal to the ratio of twice the background signal to the magnitude of analytical signal corresponding to a concentration of unity. Detection limit (DL) could be improved if ...

  4. Numerical analysis of inter-phase mass transfer with chemical reaction

    African Journals Online (AJOL)

    The numerical analysis in the present study simulates inter-phase mass transfer with chemical reaction of two immiscible liquids by simultaneously solving the Higbie Penetration model. The transport equations are solved numerically for concentration and temperature profiles at the inter-phase using finite volume method ...

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

    Indian Academy of Sciences (India)

    Abstract. Microstructure of chemically synthesized wurtzite-type CdS nanocrystals have been investigated by X-ray diffraction (XRD) peak profile analysis by applying different forms of. Williamson–Hall (WH) method viz., uniform deformation model (UDM), uniform stress deforma- tion model (USDM) and uniform deformation ...

  6. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    NARCIS (Netherlands)

    Rao, Shodhan; Jayawardhana, Bayu; Schaft, Arjan van der

    2012-01-01

    Motivated by the recent progresses on the interplay between the graph theory and systems theory, we revisit the analysis of reversible chemical reaction networks described by mass action kinetics by reformulating it using the graph knowledge of the underlying networks. Based on this formulation, we

  7. Microscopic and micro chemical evaluation (elemental Analysis of the medicinal herb, Lippia nodiflora (Linn. Rich (Phyla nodiflora Linn. Green

    Directory of Open Access Journals (Sweden)

    Sunkara Yashvanth

    2012-05-01

    Full Text Available Objective: To explore the micro morphology and elemental analysis of Lippia nodoflora (L. nodiflora Methods: Fresh leaf sections and epidermal peels were used for light microscopy. Glutaraldehyde fixed and dehydrated plant material was used for Scanning Electron Microscopy and Energy Dispersive -ray analysis (EDAX. Results: Scanning electron microscopic studies unraveled the characteristic fine details of the plant. These include the mid fixed or malpighigiaceous, rhomboidal, multi cellular leafy hairs, anisocytic or cruciferous stomata, single celled glands. Leaf constants like stomatal number (stomatal frequency/density and stomatal index were measured. Detailed anatomy of stem, root and leaf was studied. Elemental analysis was carried out in various parts of the plant. Conclusions: Microscopic analysis was informative and useful in the sample identification, standardization for quality & purity. Information on micro chemical composition indicates the enrichment of the plant with Si, Ca and Fe. This helps in using the plant in certain herbal preparations that need plants with enriched minerals.

  8. CRITIC2: A program for real-space analysis of quantum chemical interactions in solids

    Science.gov (United States)

    Otero-de-la-Roza, A.; Johnson, Erin R.; Luaña, Víctor

    2014-03-01

    We present CRITIC2, a program for the analysis of quantum-mechanical atomic and molecular interactions in periodic solids. This code, a greatly improved version of the previous CRITIC program (Otero-de-la Roza et al., 2009), can: (i) find critical points of the electron density and related scalar fields such as the electron localization function (ELF), Laplacian, … (ii) integrate atomic properties in the framework of Bader’s Atoms-in-Molecules theory (QTAIM), (iii) visualize non-covalent interactions in crystals using the non-covalent interactions (NCI) index, (iv) generate relevant graphical representations including lines, planes, gradient paths, contour plots, atomic basins, … and (v) perform transformations between file formats describing scalar fields and crystal structures. CRITIC2 can interface with the output produced by a variety of electronic structure programs including WIEN2k, elk, PI, abinit, Quantum ESPRESSO, VASP, Gaussian, and, in general, any other code capable of writing the scalar field under study to a three-dimensional grid. CRITIC2 is parallelized, completely documented (including illustrative test cases) and publicly available under the GNU General Public License. Catalogue identifier: AECB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: yes No. of lines in distributed program, including test data, etc.: 11686949 No. of bytes in distributed program, including test data, etc.: 337020731 Distribution format: tar.gz Programming language: Fortran 77 and 90. Computer: Workstations. Operating system: Unix, GNU/Linux. Has the code been vectorized or parallelized?: Shared-memory parallelization can be used for most tasks. Classification: 7.3. Catalogue identifier of previous version: AECB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 157 Nature of problem: Analysis of quantum-chemical

  9. Material Cycles and Chemicals: Dynamic Material Flow Analysis of Contaminants in Paper Recycling.

    Science.gov (United States)

    Pivnenko, Kostyantyn; Laner, David; Astrup, Thomas F

    2016-11-15

    This study provides a systematic approach for assessment of contaminants in materials for recycling. Paper recycling is used as an illustrative example. Three selected chemicals, bisphenol A (BPA), diethylhexyl phthalate (DEHP) and mineral oil hydrocarbons (MOHs), are evaluated within the paper cycle. The approach combines static material flow analysis (MFA) with dynamic material and substance flow modeling. The results indicate that phasing out of chemicals is the most effective measure for reducing chemical contamination. However, this scenario was also associated with a considerable lag phase (between approximately one and three decades) before the presence of chemicals in paper products could be considered insignificant. While improved decontamination may appear to be an effective way of minimizing chemicals in products, this may also result in lower production yields. Optimized waste material source-segregation and collection was the least effective strategy for reducing chemical contamination, if the overall recycling rates should be maintained at the current level (approximately 70% for Europe). The study provides a consistent approach for evaluating contaminant levels in material cycles. The results clearly indicate that mass-based recycling targets are not sufficient to ensure high quality material recycling.

  10. Stereospecific assignment of the asparagine and glutamine sidechain amide protons in proteins from chemical shift analysis

    Energy Technology Data Exchange (ETDEWEB)

    Harsch, Tobias; Schneider, Philipp; Kieninger, Bärbel; Donaubauer, Harald; Kalbitzer, Hans Robert, E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany)

    2017-02-15

    Side chain amide protons of asparagine and glutamine residues in random-coil peptides are characterized by large chemical shift differences and can be stereospecifically assigned on the basis of their chemical shift values only. The bimodal chemical shift distributions stored in the biological magnetic resonance data bank (BMRB) do not allow such an assignment. However, an analysis of the BMRB shows, that a substantial part of all stored stereospecific assignments is not correct. We show here that in most cases stereospecific assignment can also be done for folded proteins using an unbiased artificial chemical shift data base (UACSB). For a separation of the chemical shifts of the two amide resonance lines with differences ≥0.40 ppm for asparagine and differences ≥0.42 ppm for glutamine, the downfield shifted resonance lines can be assigned to H{sup δ21} and H{sup ε21}, respectively, at a confidence level >95%. A classifier derived from UASCB can also be used to correct the BMRB data. The program tool AssignmentChecker implemented in AUREMOL calculates the Bayesian probability for a given stereospecific assignment and automatically corrects the assignments for a given list of chemical shifts.

  11. Analysis of soil chemical parameters of an uncleaned crude oil spill ...

    African Journals Online (AJOL)

    Analysis of soil chemical parameters of an uncleaned crude oil spill site at Biara was carried out. Soil samples were collected at 0 -15 cm and 15 – 30 cm soil depths from both polluted and unpolluted sites for analysis. Significant increase in high total hydrocarbon content (1015±80.5 – 1150±90.1 mg/kg) in polluted site was ...

  12. Validation and assessment of uncertainty of chemical tests as a tool for the reliability analysis of wastewater IPEN

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Renan A.; Martins, Elaine A.J.; Furusawa, Helio A., E-mail: elaine@ipen.br, E-mail: helioaf@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    The validation of analytical methods has become an indispensable tool for the analysis in chemical laboratories, including being required for such accreditation. However, even if a laboratory using validated methods of analysis there is the possibility that these methods generate results discrepant with reality by making necessary the addition of a quantitative attribute (a value) which indicates the degree of certainty the extent or the analytical method used. This measure assigned to the result of measurement is called measurement uncertainty. We estimate this uncertainty with a level of confidence both direction, an analytical result has limited significance if not carried out proper assessment of its uncertainty. One of the activities of this work was to elaborate a program to help the validation and evaluation of uncertainty in chemical analysis. The program was developed with Visual Basic programming language and method of evaluation of uncertainty introduced the following concepts based on the GUM (Guide to the Expression of Uncertainty in Measurement). This evaluation program uncertainty measurement will be applied to chemical analysis in support of the characterization of the Nuclear Fuel Cycle developed by IPEN and the study of organic substances in wastewater associated with professional activities of the Institute. In the first case, primarily for the determination of total uranium and the second case for substances that were generated by human activities and that are contained in resolution 357/2005. As strategy for development of this work was considered the PDCA cycle to improve the efficiency of each step and minimize errors while performing the experimental part. The program should be validated to meet requirements of standards such as, for example, the standard ISO/IEC 17025. The application, it is projected to use in other analytical procedures of both the Nuclear Fuel Cycle and in the control program and chemical waste management of IPEN

  13. Validation and assessment of uncertainty of chemical tests as a tool for the reliability analysis of wastewater IPEN

    International Nuclear Information System (INIS)

    Silva, Renan A.; Martins, Elaine A.J.; Furusawa, Helio A.

    2011-01-01

    The validation of analytical methods has become an indispensable tool for the analysis in chemical laboratories, including being required for such accreditation. However, even if a laboratory using validated methods of analysis there is the possibility that these methods generate results discrepant with reality by making necessary the addition of a quantitative attribute (a value) which indicates the degree of certainty the extent or the analytical method used. This measure assigned to the result of measurement is called measurement uncertainty. We estimate this uncertainty with a level of confidence both direction, an analytical result has limited significance if not carried out proper assessment of its uncertainty. One of the activities of this work was to elaborate a program to help the validation and evaluation of uncertainty in chemical analysis. The program was developed with Visual Basic programming language and method of evaluation of uncertainty introduced the following concepts based on the GUM (Guide to the Expression of Uncertainty in Measurement). This evaluation program uncertainty measurement will be applied to chemical analysis in support of the characterization of the Nuclear Fuel Cycle developed by IPEN and the study of organic substances in wastewater associated with professional activities of the Institute. In the first case, primarily for the determination of total uranium and the second case for substances that were generated by human activities and that are contained in resolution 357/2005. As strategy for development of this work was considered the PDCA cycle to improve the efficiency of each step and minimize errors while performing the experimental part. The program should be validated to meet requirements of standards such as, for example, the standard ISO/IEC 17025. The application, it is projected to use in other analytical procedures of both the Nuclear Fuel Cycle and in the control program and chemical waste management of IPEN

  14. Modern sample preparation techniques for gas chromatography-mass spectrometry analysis of environmental markers of chemical warfare agents use

    NARCIS (Netherlands)

    Terzic, O.; de Voogt, P.; Banoub, J.

    2014-01-01

    The chapter introduces problematics of on-site chemical analysis in the investigations of past chemical warfare agents (CWA) events. An overview of primary environmental degradation pathways of CWA leading to formation of chemical markers of their use is given. Conventional and modern sample

  15. Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge.

    Science.gov (United States)

    Gaspar, Héléna A; Baskin, Igor I; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2015-01-26

    This paper is devoted to the analysis and visualization in 2-dimensional space of large data sets of millions of compounds using the incremental version of generative topographic mapping (iGTM). The iGTM algorithm implemented in the in-house ISIDA-GTM program was applied to a database of more than 2 million compounds combining data sets of 36 chemicals suppliers and the NCI collection, encoded either by MOE descriptors or by MACCS keys. Taking advantage of the probabilistic nature of GTM, several approaches to data analysis were proposed. The chemical space coverage was evaluated using the normalized Shannon entropy. Different views of the data (property landscapes) were obtained by mapping various physical and chemical properties (molecular weight, aqueous solubility, LogP, etc.) onto the iGTM map. The superposition of these views helped to identify the regions in the chemical space populated by compounds with desirable physicochemical profiles and the suppliers providing them. The data sets similarity in the latent space was assessed by applying several metrics (Euclidean distance, Tanimoto and Bhattacharyya coefficients) to data probability distributions based on cumulated responsibility vectors. As a complementary approach, data sets were compared by considering them as individual objects on a meta-GTM map, built on cumulated responsibility vectors or property landscapes produced with iGTM. We believe that the iGTM methodology described in this article represents a fast and reliable way to analyze and visualize large chemical databases.

  16. Analysis of the comprehensibility of chemical hazard communication tools at the industrial workplace.

    Science.gov (United States)

    Ta, Goh Choo; Mokhtar, Mazlin Bin; Mohd Mokhtar, Hj Anuar Bin; Ismail, Azmir Bin; Abu Yazid, Mohd Fadhil Bin Hj

    2010-01-01

    Chemical classification and labelling systems may be roughly similar from one country to another but there are significant differences too. In order to harmonize various chemical classification systems and ultimately provide consistent chemical hazard communication tools worldwide, the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) was endorsed by the United Nations Economic and Social Council (ECOSOC). Several countries, including Japan, Taiwan, Korea and Malaysia, are now in the process of implementing GHS. It is essential to ascertain the comprehensibility of chemical hazard communication tools that are described in the GHS documents, namely the chemical labels and Safety Data Sheets (SDS). Comprehensibility Testing (CT) was carried out with a mixed group of industrial workers in Malaysia (n=150) and factors that influence the comprehensibility were analysed using one-way ANOVA. The ability of the respondents to retrieve information from the SDS was also tested in this study. The findings show that almost all the GHS pictograms meet the ISO comprehension criteria and it is concluded that the underlying core elements that enhance comprehension of GHS pictograms and which are also essential in developing competent persons in the use of SDS are training and education.

  17. Analysis of the influence of chemical treatment to the strength and surface roughness of FDM

    Science.gov (United States)

    Hambali, R. H.; Cheong, K. M.; Azizan, N.

    2017-06-01

    The applications of Additive Manufacturing (AM) technology have a greater functionality and wider range of application beyond an intention of prototyping. AM is the process of joining materials to form objects from Computer-Aided Design (CAD) models via layer upon layer process. One of AM technologies is the Fused Deposition Modelling (FDM), which use an extrusion method to create a part. FDM has been applied in many manufacturing applications includes an end-used parts. However, FDM tends to have bad surface quality due to staircase effect and post treatment is required. This chemical treatment is one of a way to improve the surface roughness of FDM fabricated parts. This method is one of economical and faster method. In order to enhance the surface finish of Acrylonitrile-Butadiene-Styrene (ABS) FDM parts by performing chemical treatment in an acetone solution as acetone has very low toxicity, high diffusion and low cost chemical solution. Therefore, the aim of this research is to investigate the influence of chemical treatment to the FDM used part in terms of surface roughness as well as the strength. In this project, ten specimens of standard ASTM D638 dogbone specimens have been fabricated using MOJO 3D printer. Five specimens from the dogbone were tested for surface roughness and tensile testing while another five were immersed in the chemical solution before the same testing. Based on results, the surface roughness of chemically treated dogbone has dramatically improved, compared to untreated dogbone with 97.2% of improvement. However, in term of strength, the tensile strength of dogbone is reduced 42.58% due to the rearrange of material properties and chemical effects to the joining of the filaments. In conclusion, chemical treatment is an economical and sustainable approach to enhance the surface quality of AM parts.

  18. Analysis of Chemical Constituents of Melastoma dodecandrum Lour. by UPLC-ESI-Q-Exactive Focus-MS/MS.

    Science.gov (United States)

    Wang, Jinfeng; Jia, Ziyao; Zhang, Zhihao; Wang, Yutong; Liu, Xi; Wang, Linghua; Lin, Ruichao

    2017-03-17

    The ethnic drug Melastoma dodecandrum Lour. (MDL) is widely distributed throughout South China, and is the major component of Gong Yan Ping Tablets/Capsules and Zi Di Ning Xue San. Although the pharmacological effects of MDL have been well documented, its chemical profile has not been fully determined. In this study, we have developed a rapid and sensitive UPLC-ESI-Q-Exactive Focus-MS/MS method to characterize the chemical constituents of MDL in the positive and negative ionization modes. A comparison of the chromatographic and spectrometric data obtained using this method with data from databases, the literature and reference standards allowed us to identify or tentatively characterize 109 compounds, including 26 fatty acids, 26 organic acids, 33 flavonoids, six tannins, 10 triterpenoids, two steroids and six other compounds. Notably, 55 of the compounds characterized in this study have never been detected before in this plant. The information obtained in this study therefore enriches our understanding of the chemical composition of MDL and could be used in quality control, pharmacological research and the development of drugs based on MDL. In addition, this study represents the first reported comprehensive analysis of the chemical constituents of MDL.

  19. Analysis of Chemical Constituents of Melastoma dodecandrum Lour. by UPLC-ESI-Q-Exactive Focus-MS/MS

    Directory of Open Access Journals (Sweden)

    Jinfeng Wang

    2017-03-01

    Full Text Available The ethnic drug Melastoma dodecandrum Lour. (MDL is widely distributed throughout South China, and is the major component of Gong Yan Ping Tablets/Capsules and Zi Di Ning Xue San. Although the pharmacological effects of MDL have been well documented, its chemical profile has not been fully determined. In this study, we have developed a rapid and sensitive UPLC-ESI-Q-Exactive Focus-MS/MS method to characterize the chemical constituents of MDL in the positive and negative ionization modes. A comparison of the chromatographic and spectrometric data obtained using this method with data from databases, the literature and reference standards allowed us to identify or tentatively characterize 109 compounds, including 26 fatty acids, 26 organic acids, 33 flavonoids, six tannins, 10 triterpenoids, two steroids and six other compounds. Notably, 55 of the compounds characterized in this study have never been detected before in this plant. The information obtained in this study therefore enriches our understanding of the chemical composition of MDL and could be used in quality control, pharmacological research and the development of drugs based on MDL. In addition, this study represents the first reported comprehensive analysis of the chemical constituents of MDL.

  20. The online chemical analysis of single particles using aerosol beams and time of flight mass spectroscopy

    NARCIS (Netherlands)

    Kievit, O.; Weiss, M.; Verheijen, P.J.T.; Marijnissen, J.C.M.; Scarlett, B.

    This paper describes an on-line instrument, capable of measuring the size and chemical composition of single aerosol particles. Possible applications include monitoring aerosol reactors and studying atmospheric chemistry. The main conclusion is that a working prototype has been built and tested. It

  1. Qualitative and quantitative analysis of chemical constituents of Ptychopetalum olacoides Benth.

    Science.gov (United States)

    Tian, Xiao; Guo, Sen; He, Kan; Roller, Marc; Yang, Meiqi; Liu, Qingchao; Zhang, Li; Ho, Chi-Tang; Bai, Naisheng

    2018-02-01

    Ptychopetalum olacoides is a folk medicinal plant for health care in market, especially in Brazil. Fourteen known compounds were isolated from P. olacoides and their chemical structures were elucidated by extensive spectroscopic data, including 1D NMR, 2D NMR, UV, IR and HR-ESI-MS. The 14 known compounds were identified as N-trans-feruloyl-3,5-dihydroxyindolin-2-one (1), magnoflorine (2), menisperine (3), 4-coumaroylserotonin (4), moschamine (5), luteolin (6), 4'-methoxyluteolin (7), 3-methoxyluteolin (8), 3, 7-dimethoxyluteolin (9), caffeic acid (10), ferulic acid (11), vanillic acid (12), syringic acid (13) and ginsenoside Re (14). To our knowledge, compounds (1-6, 13-14) were isolated from the plant for the first time. Additionally, quantitative analysis results indicated that calibration equations of compounds (1-3, 6, 9, 11-13) exhibited good linear regressions within the test ranges (R 2  ≥ 0.9990) and magnoflorine and menisperine were the major constituents in the barks of P. olacoides. The contents of magnoflorine and menisperine accounted for 75.96% of all analytes. However, the content of phenolic components was smaller and the highest content was no more than 1.04 mg/g. Collectively, these results suggested that alkaloids are the dominant substances in P. olacoides, which can make a difference for the quality control and further use of P. olacoides.

  2. Chemical characterization of pigment gallstones using 13C nuclear magnetic resonance analysis

    International Nuclear Information System (INIS)

    Woolfenden, W.R.; Grant, D.M.; Straight, R.C.; Englert, E. Jr.

    1982-01-01

    The unique ability of Carbon-13 nuclear magnetic resonance analysis with cross polarization/magic angle spinning techniques to investigate chemical structures of solids is used to probe the chemical characteristics of several gallstone types. New pulse program techniques are used to distinguish various carbon atoms in studying the polymeric nature of the black bilirubinoid pigment of pigment gallstones. Evidence for the involvement of the carboxyl group and noninvolvement of vinyl groups of bilirubinoids in the polymeric bond formation is presented. Conjugated bilirubin structures are found to be present in some solid residues from pigment stones extracted with acidic methanol/chloroform

  3. Determinants of job stress in chemical process industry: A factor analysis approach.

    Science.gov (United States)

    Menon, Balagopal G; Praveensal, C J; Madhu, G

    2015-01-01

    Job stress is one of the active research domains in industrial safety research. The job stress can result in accidents and health related issues in workers in chemical process industries. Hence it is important to measure the level of job stress in workers so as to mitigate the same to avoid the worker's safety related problems in the industries. The objective of this study is to determine the job stress factors in the chemical process industry in Kerala state, India. This study also aims to propose a comprehensive model and an instrument framework for measuring job stress levels in the chemical process industries in Kerala, India. The data is collected through a questionnaire survey conducted in chemical process industries in Kerala. The collected data out of 1197 surveys is subjected to principal component and confirmatory factor analysis to develop the job stress factor structure. The factor analysis revealed 8 factors that influence the job stress in process industries. It is also found that the job stress in employees is most influenced by role ambiguity and the least by work environment. The study has developed an instrument framework towards measuring job stress utilizing exploratory factor analysis and structural equation modeling.

  4. Applying Chemical Imaging Analysis to Improve Our Understanding of Cold Cloud Formation

    Science.gov (United States)

    Laskin, A.; Knopf, D. A.; Wang, B.; Alpert, P. A.; Roedel, T.; Gilles, M. K.; Moffet, R.; Tivanski, A.

    2012-12-01

    The impact that atmospheric ice nucleation has on the global radiation budget is one of the least understood problems in atmospheric sciences. This is in part due to the incomplete understanding of various ice nucleation pathways that lead to ice crystal formation from pre-existing aerosol particles. Studies investigating the ice nucleation propensity of laboratory generated particles indicate that individual particle types are highly selective in their ice nucleating efficiency. This description of heterogeneous ice nucleation would present a challenge when applying to the atmosphere which contains a complex mixture of particles. Here, we employ a combination of micro-spectroscopic and optical single particle analytical methods to relate particle physical and chemical properties with observed water uptake and ice nucleation. Field-collected particles from urban environments impacted by anthropogenic and marine emissions and aging processes are investigated. Single particle characterization is provided by computer controlled scanning electron microscopy with energy dispersive analysis of X-rays (CCSEM/EDX) and scanning transmission X-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). A particle-on-substrate approach coupled to a vapor controlled cooling-stage and a microscope system is applied to determine the onsets of water uptake and ice nucleation including immersion freezing and deposition ice nucleation as a function of temperature (T) as low as 200 K and relative humidity (RH) up to water saturation. We observe for urban aerosol particles that for T > 230 K the oxidation level affects initial water uptake and that subsequent immersion freezing depends on particle mixing state, e.g. by the presence of insoluble particles. For T cloud formation. Initial results applying single particle IN analysis using CCSEM/EDX and STXM/NEXAFS reveal that a significant amount of IN are coated by organics and, thus, are similar to the

  5. Sampling and chemical analysis in environmental samples around Nuclear Power Plants and some environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Yong Woo; Han, Man Jung; Cho, Seong Won; Cho, Hong Jun; Oh, Hyeon Kyun; Lee, Jeong Min; Chang, Jae Sook [KORTIC, Taejon (Korea, Republic of)

    2002-12-15

    Twelve kinds of environmental samples such as soil, seawater, underground water, etc. around Nuclear Power Plants(NPPs) were collected. Tritium chemical analysis was tried for the samples of rain water, pine-needle, air, seawater, underground water, chinese cabbage, a grain of rice and milk sampled around NPPs, and surface seawater and rain water sampled over the country. Strontium in the soil that sere sampled at 60 point of district in Korea were analyzed. Tritium were sampled at 60 point of district in Korea were analyzed. Tritium were analyzed in 21 samples of surface seawater around the Korea peninsular that were supplied from KFRDI(National Fisheries Research and Development Institute). Sampling and chemical analysis environmental samples around Kori, Woolsung, Youngkwang, Wooljin Npps and Taeduk science town for tritium and strontium analysis was managed according to plans. Succeed to KINS after all samples were tried.

  6. Analysis of mechanism of complex chemical reaction taking radiation chemical purification of gases from impurities as an example

    International Nuclear Information System (INIS)

    Gerasimov, G.Ya.; Makarov, V.N.

    1997-01-01

    Algorithm of selecting optimal mechanism of complex chemical reaction, enabling to reduce the number of its stages, is suggested. Main steps of constructing the kinetic model of the medium are considered, taking the radiation chemical purification (using fast electron radiation) of gases (N 2 , CO 2 , O 2 and others) from impurities as an example. 17 refs., 3 figs., 2 tabs

  7. A comparative analysis of Photovoltaic Technological Innovation Systems including international dimensions: the cases of Japan and The Netherlands

    NARCIS (Netherlands)

    Vasseur, V.; Kamp, L.M.; Negro, S.O.

    2013-01-01

    This paper investigates the development and diffusion of photovoltaic (PV) technology in Japan and The Netherlands. Both cases are analysed with the Technological Innovation Systems (TIS) framework, which focuses on a particular technology and includes all those factors that influence the

  8. ANALYSIS OF THE MANAGEMENT SYSTEM IN THE FIELD OF ENVIRONMENTAL PROTECTION OF RUSSIAN CHEMICAL COMPANIES

    Directory of Open Access Journals (Sweden)

    Anna Makarov

    2018-03-01

    Full Text Available Since 2007, many chemical industrial companies in the Russian Federation have been actively involved in the Responsible Care® international voluntary program. To implement this program, vast bodies of data on environmental impact assessments needs to be collected. This allows us to analyse the environment-oriented trends in economic and social activities, and to record the achievements and problems in this field. The collected large bodies of data are in many cases heterogeneous, since the report has been a voluntary initiative. To analyse the existing trends in business processes, authors applied the methodology for system analysis of large bodies of data and used their own heuristic approximation algorithm for the treatment of accumulated data. This algorithm gives us the unique possibility of evaluating the performance of both individual chemical companies in the framework of the Responsible Care® program and the Russian chemical industry as a whole.

  9. A detailed pathway analysis of the chemical reaction system generating the Martian vertical ozone profile

    Science.gov (United States)

    Stock, Joachim W.; Blaszczak-Boxe, Christopher S.; Lehmann, Ralph; Grenfell, J. Lee; Patzer, A. Beate C.; Rauer, Heike; Yung, Yuk L.

    2017-07-01

    Atmospheric chemical composition is crucial in determining a planet's atmospheric structure, stability, and evolution. Attaining a quantitative understanding of the essential chemical mechanisms governing atmospheric composition is nontrivial due to complex interactions between chemical species. Trace species, for example, can participate in catalytic cycles - affecting the abundance of major and other trace gas species. Specifically, for Mars, such cycles dictate the abundance of its primary atmospheric constituent, carbon dioxide (CO2), but also for one of its trace gases, ozone (O3). The identification of chemical pathways/cycles by hand is extremely demanding; hence, the application of numerical methods, such as the Pathway Analysis Program (PAP), is crucial to analyze and quantitatively exemplify chemical reaction networks. Here, we carry out the first automated quantitative chemical pathway analysis of Mars' atmosphere with respect to O3. PAP was applied to JPL/Caltech's 1-D updated photochemical Mars model's output data. We determine all significant chemical pathways and their contribution to O3 production and consumption (up to 80 km) in order to investigate the mechanisms causing the characteristic shape of the O3 volume mixing ratio profile, i.e. a ground layer maximum and an ozone layer at ∼50 km. These pathways explain why an O3 layer is present, why it is located at that particular altitude and what the different processes forming the near-surface and middle atmosphere O3 maxima are. Furthermore, we show that the Martian atmosphere can be divided into two chemically distinct regions according to the O(3P):O3 ratio. In the lower region (below approximately 24 km altitude) O3 is the most abundant Ox (= O3 + O(3P)) species. In the upper region (above approximately 24 km altitude), where the O3 layer is located, O(3P) is the most abundant Ox species. Earlier results concerning the formation of O3 on Mars can now be explained with the help of chemical

  10. Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis

    International Nuclear Information System (INIS)

    Lai, C.-C.; Meshkian, R.; Dahlqvist, M.; Lu, J.; Näslund, L.-Å.; Rivin, O.; Caspi, E.N.; Ozeri, O.; Hultman, L.; Eklund, P.; Barsoum, M.W.; Rosen, J.

    2015-01-01

    Following our recent discovery of a new nanolaminated carbide, Mo 2 Ga 2 C, we herein present a detailed structural and chemical analysis of this phase based on ab initio calculations, X-ray photoelectron spectroscopy, high resolution scanning transmission electron microscopy, and neutron powder diffraction. Calculations suggest an energetically and dynamically stable structure for C in the octahedral sites between the Mo layers, with Ga bilayers – stacked in a simple hexagonal arrangement – between the Mo 2 C layers. The predicted elastic properties are below those of the related nanolaminate Mo 2 GaC. The predicted structure, including lattice parameters and atomic positions, is experimentally confirmed

  11. Apparatus and method for performing microfluidic manipulations for chemical analysis and synthesis

    Science.gov (United States)

    Ramsey, J. Michael

    2002-01-01

    A microchip laboratory system and method provide fluid manipulations for a variety of applications, including sample injection for microchip chemical separations. The microchip is fabricated using standard photolithographic procedures and chemical wet etching, with the substrate and cover plate joined using direct bonding. Capillary electrophoresis and electrochromatography are performed in channels formed in the substrate. Analytes are loaded into a four-way intersection of channels by electrokinetically pumping the analyte through the intersection, followed by switching of the potentials to force an analyte plug into the separation channel.

  12. Evaluating legacy contaminants and emerging chemicals in marine environments using adverse outcome pathways and biological effects-directed analysis.

    Science.gov (United States)

    Hutchinson, Thomas H; Lyons, Brett P; Thain, John E; Law, Robin J

    2013-09-30

    important scientific, economic and health challenges. In order to meet these challenges and pursue cost-effective scientific approaches that can provide evidence necessary to support policy needs (e.g. the European Marine Strategy Framework Directive), it is widely recognised that there is a need to (i) provide marine exposure assessments for priority contaminants using a range of validated models, passive samplers and biomarkers; (ii) integrate chemical monitoring data with biological effects data across spatial and temporal scales (including quality controls); and (iii) strengthen the evidence base to understand the relationship between exposure to complex chemical mixtures, biological and ecological impacts through integrated approaches and molecular data (e.g. genomics, proteomics and metabolomics). Additionally, we support the widely held view that (iv) that rather than increasing the analytical chemistry monitoring of large number of emerging contaminants, it will be important to target analytical chemistry towards key groups of chemicals of concern using effects-directed analysis. It is also important to evaluate to what extent existing biomarkers and bioassays can address various classes of emerging chemicals using the adverse outcome pathway (AOP) approach now being developed by the Organization for Economic Cooperation and Development (OECD) with respect to human toxicology and ecotoxicology. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

  13. [Chemical analysis of wastewater as a new way of monitoring drugs and medicines consumption at workplace].

    Science.gov (United States)

    Wiergowski, Marek; Sołtyszewski, Ireneusz; Sein Anand, Jacek

    2015-01-01

    The available information on the quality and frequency of illegal psychoactive substances used or medicines misused by workers, are often out of date at the time of its publication. This is due to the dynamic introduction of new synthetic drugs on the black market, changes in trends in the recreational use of medicines and the lack of readily available and reliable tests for fast identification. Strategy for detection of narcotic and non-medical psychoactive drugs use at workplace should embrace all possible sources of information. Classical sources of information on the use of psychoactive substances at the workplace include: statistical data (general information on trends and magnitude of drug and medicine addiction collected by the Polish National Police, the National Bureau for Drug Prevention and emergency medical services), surveys, psychomotor tests and qualitative and quantitative analyses of biological material. Of the new and promising methods, used throughout the world in recent years, chemical-toxicological analysis of surface water and wastewater deserve special mention. An increasing interest in the study of urban waste water can significantly complement the source of knowledge about drug and medicine addiction using obtainable conventional methods. In recent years, a municipal wastewater analysis has become a new and very promising way of collecting updated information on the use of psychoactive substances and medicines. It seems that this kind of study may play an important role in the ongoing monitoring of drug and/or medicines use by selected groups of population (e.g., students, military, firemen, policemen, etc.). This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

  14. Chemical analysis of wastewater as a new way of monitoring drugs and medicines consumption at workplace

    Directory of Open Access Journals (Sweden)

    Marek Wiergowski

    2015-12-01

    Full Text Available The available information on the quality and frequency of illegal psychoactive substances used or medicines misused by workers, are often out of date at the time of its publication. This is due to the dynamic introduction of new synthetic drugs on the black market, changes in trends in the recreational use of medicines and the lack of readily available and reliable tests for fast identification. Strategy for detection of narcotic and non-medical psychoactive drugs use at workplace should embrace all possible sources of information. Classical sources of information on the use of psychoactive substances at the workplace include: statistical data (general information on trends and magnitude of drug and medicine addiction collected by the Polish National Police, the National Bureau for Drug Prevention and emergency medical services, surveys, psychomotor tests and qualitative and quantitative analyses of biological material. Of the new and promising methods, used throughout the world in recent years, chemical-toxicological analysis of surface water and wastewater deserve special mention. An increasing interest in the study of urban waste water can significantly complement the source of knowledge about drug and medicine addiction using obtainable conventional methods. In recent years, a municipal wastewater analysis has become a new and very promising way of collecting updated information on the use of psychoactive substances and medicines. It seems that this kind of study may play an important role in the ongoing monitoring of drug and/or medicines use by selected groups of population (e.g., students, military, firemen, policemen, etc.. Med Pr 2015;66(6:837–847

  15. On an layer-by-layer analysis of impurity profiles by ions of chemically active gases

    International Nuclear Information System (INIS)

    Kornich, G.V.; Kornilova, L.O.; Teplov, S.V.

    1992-01-01

    A phenomenological model of layer-by-layer analysis by oxygen ions has been described with account taken of the chemical interaction of the bombarding ions with the matrix impurity atoms. The results of the layer-by-layer analysis for a two-layer system of impurity Mg in the Si matrix have been calculated in the framework of the model. It has been concluded that the use of oxygen ions for profiles of Mg and Ca in Si improves the resolvability and increases the sensitivity of the layer-by-layer analysis method

  16. ICECON: a computer program used to calculate containment back pressure for LOCA analysis (including ice condenser plants)

    International Nuclear Information System (INIS)

    1976-07-01

    The ICECON computer code provides a method for conservatively calculating the long term back pressure transient in the containment resulting from a hypothetical Loss-of-Coolant Accident (LOCA) for PWR plants including ice condenser containment systems. The ICECON computer code was developed from the CONTEMPT/LT-022 code. A brief discussion of the salient features of a typical ice condenser containment is presented. Details of the ice condenser models are explained. The corrections and improvements made to CONTEMPT/LT-022 are included. The organization of the code, including the calculational procedure, is outlined. The user's manual, to be used in conjunction with the CONTEMPT/LT-022 user's manual, a sample problem, a time-step study (solution convergence) and a comparison of ICECON results with the results of the NSSS vendor are presented. In general, containment pressure calculated with the ICECON code agree with those calculated by the NSSS vendor using the same mass and energy release rates to the containment

  17. Metal load assessment in patient pulmonary lavages: towards a comprehensive mineralogical analysis including the nano-sized fraction.

    Science.gov (United States)

    Forest, Valérie; Vergnon, Jean-Michel; Guibert, Cyril; Bitounis, Dimitrios; Leclerc, Lara; Sarry, Gwendoline; Pourchez, Jérémie

    Mineralogical analyses of clinical samples have been proved useful to identify causal relationship between exposure to airborne particles and pulmonary diseases. The most striking example is asbestosis where the assessment of asbestos bodies in patient lung samples has allowed defining values specific of pathologies. However, this type of analyses only considers the micro-sized fraction of the particles, neglecting the specific impact of nano-sized particles which have been otherwise shown to be reactive and able to induce biological effects. Similarly, in nanotoxicology, the mineralogical analysis of pulmonary fluids could be used as an indicator of exposure to inhaled nanoparticles and could help investigations on the relationship between exposure to these nanoparticles and lung diseases. We designed this study first to demonstrate the technical feasibility of this approach, then to get a clear picture of the metals present, and in what form, in patient lungs and finally to determine if indeed it is worth investigating separately the micro, sub-micro and nano fractions. Broncho-alveolar lavages were recovered from 100 patients suffering from interstitial lung diseases. A protocol was specifically developed to isolate three fractions containing respectively microparticles, sub-microparticles and nanoparticles with ions. The metal content in each fraction was qualitatively and quantitatively characterized. Results showed significant differences between the three fractions in terms of metal load confirming that the separate analysis of the fractions is relevant. It also means that the assessment of the micro-sized fraction alone, as commonly done in clinical practice, only gives a partial view of the mineralogical analysis.

  18. The Prognostic Significance of Pretreatment Serum CEA Levels in Gastric Cancer: A Meta-Analysis Including 14651 Patients

    Science.gov (United States)

    Deng, Kai; Yang, Li; Hu, Bing; Wu, Hao; Zhu, Hong; Tang, Chengwei

    2015-01-01

    Background Carcinoembryonic antigen (CEA) is commonly used as a serum tumor marker in clinical practice; however, its prognostic value for gastric cancer patients remains uncertain. This meta-analysis was performed to assess the prognostic value of CEA and investigate CEA as a tumor marker. Methods PubMed, EMBASE and other databases were searched for potentially eligible studies. Forty-one studies reporting the prognostic effect of pretreatment serum CEA expression in gastric cancer patients were selected. Data on 14651 eligible patients were retrieved for the meta-analysis. Based on the data extracted from the available literature, the hazard ratio (HR) and 95% confidence interval (CI) for an adverse prognosis were estimated for gastric cancer patients with elevated pretreatment serum levels of CEA (CEA+) relative to patients with normal pretreatment CEA levels (CEA-). Results The CEA+ patients had a significantly poorer prognosis than the CEA- patients in terms of overall survival (OS: HR 1.716, 95% CI 1.594 - 1.848, P 0.05). In the pooled analyses of multivariate-adjusted HRs, the results suggested that pretreatment serum CEA may be an independent prognostic factor in gastric cancer (OS: HR 1.681, 95% CI 1.425 - 1.982; DSS: HR 1.900, 95% CI 1.441 - 2.505; DFS: HR 2.579, 95% CI 1.935 - 3.436). Conclusion/Significance The meta-analysis based on the available literature supported the association of elevated pretreatment serum CEA levels with a poor prognosis for gastric cancer and a nearly doubled risk of mortality in gastric cancer patients. CEA may be an independent prognostic factor for gastric cancer patients and may aid in determining appropriate treatment which may preferentially benefit the CEA+ patients. PMID:25879931

  19. Biomechanical analysis of a salt-modified polyvinyl alcohol hydrogel for knee meniscus applications, including comparison with human donor samples.

    Science.gov (United States)

    Hayes, Jennifer C; Curley, Colin; Tierney, Paul; Kennedy, James E

    2016-03-01

    The primary objective of this research was the biomechanical analysis of a salt-modified polyvinyl alcohol hydrogel, in order to assess its potential for use as an artificial meniscal implant. Aqueous polyvinyl alcohol (PVA) was treated with a sodium sulphate (Na2SO4) solution to precipitate out the polyvinyl alcohol resulting in a pliable hydrogel. The freeze-thaw process, a strictly physical method of crosslinking, was employed to crosslink the hydrogel. Development of a meniscal shaped mould and sample housing unit allowed the production of meniscal shaped hydrogels for direct comparison to human meniscal tissue. Results obtained show that compressive responses were slightly higher in PVA/Na2SO4 menisci, displaying maximum compressive loads of 2472N, 2482N and 2476N for samples having undergone 1, 3 and 5 freeze-thaw cycles respectively. When compared to the human meniscal tissue tested under the same conditions, an average maximum load of 2467.5N was observed. This suggests that the PVA/Na2SO4 menisci are mechanically comparable to the human meniscus. Biocompatibility analysis of PVA/Na2SO4 hydrogels revealed no acute cytotoxicity. The work described herein has innovative potential in load bearing applications, specifically as an alternative to meniscectomy as replacement of critically damaged meniscal tissue in the knee joint where repair is not viable. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. USE OF AMAZONIAN SPECIES FOR AGING DISTILLED BEVERAGES: PHYSICAL AND CHEMICAL WOOD ANALYSIS

    Directory of Open Access Journals (Sweden)

    Jonnys Paz Castro

    2015-06-01

    Full Text Available The process of storing liquor in wooden barrels is a practice that aims to improve the sensory characteristics, such as color, aroma and flavor, of the beverage. The quality of the liquor stored in these barrels depends on wood characteristics such as density, permeability, chemical composition, anatomy, besides the wood heat treatment used to fabricate the barrels. Brazil has a great diversity of forests, mainly in the north, in the Amazon. This region is home to thousands of tree species, but is limited to the use of only a few native species to store liquors. The objective of this study was to determine some of the physical and chemical characteristics for four Amazon wood species. The results obtained in this study will be compared with others from woods that are traditionally used for liquor storage. The species studied were angelim-pedra (Hymenolobium petraeum Ducke cumarurana (Dipteryx polyphylla (Huber Ducke, jatobá (Hymenaea courbaril L. and louro-vermelho (Nectandra rubra (Mez CK Allen. The trees were collected from Precious Woods Amazon Company forest management area, in Silves, Amazonas. Analyzes such as: concentration of extractives, lignin amount, percentage of minerals (ash and tannin content, density, elemental analysis (CHNS-O and thermal analysis were done. It was observed that the chemical composition (lignin, holocellulose and elemental analysis (percentage of C, H, N and O of the woods have significant differences. The jatobá wood presented higher tannin content, and in the thermal analysis, was that which had the lowest mass loss.

  1. Chemical and physical analysis of core materials for advanced high temperature reactors with process heat applications

    International Nuclear Information System (INIS)

    Nickel, H.

    1985-08-01

    Various chemical and physical methods for the analysis of structural materials have been developed in the research programmes for advanced high temperature reactors. These methods are discussed using as examples the structural materials of the reactor core - the fuel elements consisting of coated particles in a graphite matrix and the structural graphite. Emphasis is given to the methods of chemical analysis. The composition of fuel kernels is investigated using chemical analysis methods to determine the heavy metals content (uranium, plutonium, thorium and metallic impurity elements) and the amount of non-metallic constituents. The properties of the pyrocarbon and silicon carbide coatings of fuel elements are investigated using specially developed physiochemical methods. Regarding the irradiation behaviour of coated particles and fuel elements, methods have been developed for examining specimens in hot cells following exposures under reactor operating conditions, to supplement the measurements of in-reactor performance. For the structural graphite, the determination of impurities is important because certain impurities may cause pitting corrosion during irradiation. The localized analysis of very low impurity concentrations is carried out using spectrochemical d.c. arc excitation, local laser and inductively coupled plasma methods. (orig.)

  2. Letters from China: A History of the Origins of the Chemical Analysis of Ceramics.

    Science.gov (United States)

    Pollard, A M

    2015-02-01

    This paper is an attempt to document the early history of the quantitative chemical analysis of ceramic materials in Europe, with a specific interest in the analysis of archaeological ceramics. This inevitably leads to a study of the attempts made in Europe to imitate the miraculous material--porcelain--imported from China from the fourteenth century onwards. It is clear that before the end of the eighteenth century progress was made in this endeavor by systematic but essentially trial-and-error firing of various raw materials, culminating in the successful production of European porcelain by Böttger and von Tschirnhaus in 1709. Shortly after this, letters describing the Chinese manufacture of porcelain, and, more importantly, samples of raw and fired material, began to arrive in Europe from French Jesuit missionaries, which were subjected to intense study. Following the perfection of gravimetric methods of chemical analysis in the late eighteenth century, these Chinese samples, and samples of porcelain from various European factories, were regularly analysed, particularly by Brongniart at Sèvres. Similar work was carried out on English porcelain by Simeon Shaw and Sir Arthur Church. The origins of the chemical analysis of archaeological ceramics are still somewhat obscure, but must date to the late eighteenth or early nineteenth centuries, by the likes of Vauquelin and Chaptal.

  3. Two-dimensional electrophoretic analysis of transformation-sensitive polypeptides during chemically, spontaneously, and oncogene-induced transformation of rat liver epithelial cells

    DEFF Research Database (Denmark)

    Wirth, P J; Luo, L D; Fujimoto, Y

    1992-01-01

    Recently, we described the establishment of a computerized database of rat liver epithelial (RLE) cellular polypeptides (Wirth et al., Electrophoresis, 1991, 12, 931-954). This database has now been expanded to include the analysis of cellular polypeptide alterations during chemically (aflatoxin B1...

  4. Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.

    Science.gov (United States)

    Skinnider, Michael A; Dejong, Chris A; Franczak, Brian C; McNicholas, Paul D; Magarvey, Nathan A

    2017-08-16

    Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural products is a particularly important problem, as the biological activities of these molecules have been extensively optimized by natural selection. The large and structurally complex scaffolds of natural products distinguish their physical and chemical properties from those of synthetic compounds. However, no analysis of the performance of existing methods for molecular similarity calculation specific to natural products has been reported to date. Here, we present LEMONS, an algorithm for the enumeration of hypothetical modular natural product structures. We leverage this algorithm to conduct a comparative analysis of molecular similarity methods within the unique chemical space occupied by modular natural products using controlled synthetic data, and comprehensively investigate the impact of diverse biosynthetic parameters on similarity search. We additionally investigate a recently described algorithm for natural product retrobiosynthesis and alignment, and find that when rule-based retrobiosynthesis can be applied, this approach outperforms conventional two-dimensional fingerprints, suggesting it may represent a valuable approach for the targeted exploration of natural product chemical space and microbial genome mining. Our open-source algorithm is an extensible method of enumerating hypothetical natural product structures with diverse potential applications in bioinformatics.

  5. Phthalic Acid Chemical Probes Synthesized for Protein-Protein Interaction Analysis

    Directory of Open Access Journals (Sweden)

    Chin-Jen Wu

    2013-06-01

    Full Text Available Plasticizers are additives that are used to increase the flexibility of plastic during manufacturing. However, in injection molding processes, plasticizers cannot be generated with monomers because they can peel off from the plastics into the surrounding environment, water, or food, or become attached to skin. Among the various plasticizers that are used, 1,2-benzenedicarboxylic acid (phthalic acid is a typical precursor to generate phthalates. In addition, phthalic acid is a metabolite of diethylhexyl phthalate (DEHP. According to Gene_Ontology gene/protein database, phthalates can cause genital diseases, cardiotoxicity, hepatotoxicity, nephrotoxicity, etc. In this study, a silanized linker (3-aminopropyl triethoxyslane, APTES was deposited on silicon dioxides (SiO2 particles and phthalate chemical probes were manufactured from phthalic acid and APTES–SiO2. These probes could be used for detecting proteins that targeted phthalic acid and for protein-protein interactions. The phthalic acid chemical probes we produced were incubated with epithelioid cell lysates of normal rat kidney (NRK-52E cells to detect the interactions between phthalic acid and NRK-52E extracted proteins. These chemical probes interacted with a number of chaperones such as protein disulfide-isomerase A6, heat shock proteins, and Serpin H1. Ingenuity Pathways Analysis (IPA software showed that these chemical probes were a practical technique for protein-protein interaction analysis.

  6. Analysis of pharmaceutical pellets: An approach using near-infrared chemical imaging

    International Nuclear Information System (INIS)

    Sabin, Guilherme P.; Breitkreitz, Marcia C.; Souza, Andre M. de; Fonseca, Patricia da; Calefe, Lupercio; Moffa, Mario; Poppi, Ronei J.

    2011-01-01

    Highlights: → Near-Infrared Chemical Imaging was used for pellets analysis. → Distribution of the components throughout the coatings layers and core of the pellets was estimated. → Classical Least Squares (CLS) was used for calculation of the concentration maps. - Abstract: Pharmaceutical pellets are spherical or nearly spherical multi-unit dosage forms designed to optimize pharmacokinetics and pharmacodynamics features of drug release. The distribution of the pharmaceutical ingredients in the layers and core is a very important parameter for appropriate drug release, especially for pellets manufactured by the process of layer gain. Physical aspects of the sample are normally evaluated by Scanning Electron Microscopy (SEM), but it is in many cases unsuitable to provide conclusive chemical information about the distribution of the pharmaceutical ingredients in both layers and core. On the other hand, methods based on spectroscopic imaging can be very promising for this purpose. In this work, a Near-Infrared Chemical Imaging (NIR-CI) method was developed and applied to the analysis of diclophenac sodium pellets. Since all the compounds present in the sample were known in advance, Classical Least Squares (CLS) was used for calculations. The results have shown that the method was capable of providing chemical information about the distribution of the active ingredient and excipients in the core and coating layers and therefore can be complementary to SEM for the pharmaceutical development of pellets.

  7. Analysis of pharmaceutical pellets: An approach using near-infrared chemical imaging

    Energy Technology Data Exchange (ETDEWEB)

    Sabin, Guilherme P.; Breitkreitz, Marcia C.; Souza, Andre M. de [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil); Fonseca, Patricia da; Calefe, Lupercio; Moffa, Mario [Zelus Servicos para Industria Farmaceutica Ltda., Av. Professor Lineu Prestes n. 2242, Sao Paulo, SP (Brazil); Poppi, Ronei J., E-mail: ronei@iqm.unicamp.br [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil)

    2011-11-07

    Highlights: {yields} Near-Infrared Chemical Imaging was used for pellets analysis. {yields} Distribution of the components throughout the coatings layers and core of the pellets was estimated. {yields} Classical Least Squares (CLS) was used for calculation of the concentration maps. - Abstract: Pharmaceutical pellets are spherical or nearly spherical multi-unit dosage forms designed to optimize pharmacokinetics and pharmacodynamics features of drug release. The distribution of the pharmaceutical ingredients in the layers and core is a very important parameter for appropriate drug release, especially for pellets manufactured by the process of layer gain. Physical aspects of the sample are normally evaluated by Scanning Electron Microscopy (SEM), but it is in many cases unsuitable to provide conclusive chemical information about the distribution of the pharmaceutical ingredients in both layers and core. On the other hand, methods based on spectroscopic imaging can be very promising for this purpose. In this work, a Near-Infrared Chemical Imaging (NIR-CI) method was developed and applied to the analysis of diclophenac sodium pellets. Since all the compounds present in the sample were known in advance, Classical Least Squares (CLS) was used for calculations. The results have shown that the method was capable of providing chemical information about the distribution of the active ingredient and excipients in the core and coating layers and therefore can be complementary to SEM for the pharmaceutical development of pellets.

  8. A phylogenomic analysis of lichen-feeding tiger moths uncovers evolutionary origins of host chemical sequestration.

    Science.gov (United States)

    Scott Chialvo, Clare H; Chialvo, Pablo; Holland, Jeffrey D; Anderson, Timothy J; Breinholt, Jesse W; Kawahara, Akito Y; Zhou, Xin; Liu, Shanlin; Zaspel, Jennifer M

    2018-04-01

    Host species utilize a variety of defenses to deter feeding, including secondary chemicals. Some phytophagous insects have evolved tolerance to these chemical defenses, and can sequester secondary defense compounds for use against their own predators and parasitoids. While numerous studies have examined plant-insect interactions, little is known about lichen-insect interactions. Our study focused on reconstructing the evolution of lichen phenolic sequestration in the tiger moth tribe Lithosiini (Lepidoptera: Erebidae: Arctiinae), the most diverse lineage of lichen-feeding moths, with 3000 described species. We built an RNA-Seq dataset and examined the adult metabolome for the presence of lichen-derived phenolics. Using the transcriptomic dataset, we recover a well-resolved phylogeny of the Lithosiini, and determine that the metabolomes within species are more similar than those among species. Results from an initial ancestral state reconstruction suggest that the ability to sequester phenolics produced by a single chemical pathway preceded generalist sequestration of phenolics produced by multiple chemical pathways. We conclude that phenolics are consistently and selectively sequestered within Lithosiini. Furthermore, sequestration of compounds from a single chemical pathway may represent a synapomorphy of the tribe, and the ability to sequester phenolics produced by multiple pathways arose later. These findings expand on our understanding of the interactions between Lepidoptera and their lichen hosts. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Analysis of Two Stroke Marine Diesel Engine Operation Including Turbocharger Cut-Out by Using a Zero-Dimensional Model

    Directory of Open Access Journals (Sweden)

    Cong Guan

    2015-06-01

    Full Text Available In this article, the operation of a large two-stroke marine diesel engine including various cases with turbocharger cut-out was thoroughly investigated by using a modular zero-dimensional engine model built in MATLAB/Simulink environment. The model was developed by using as a basis an in-house modular mean value engine model, in which the existing cylinder block was replaced by a more detailed one that is capable of representing the scavenging ports-cylinder-exhaust valve processes. Simulation of the engine operation at steady state conditions was performed and the derived engine performance parameters were compared with the respective values obtained by the engine shop trials. The investigation of engine operation under turbocharger cut-out conditions in the region from 10% to 50% load was carried out and the influence of turbocharger cut-out on engine performance including the in-cylinder parameters was comprehensively studied. The recommended schedule for the combination of the turbocharger cut-out and blower activation was discussed for the engine operation under part load conditions. Finally, the influence of engine operating strategies on the annual fuel savings, CO2 emissions reduction and blower operating hours for a Panamax container ship operating at slow steaming conditions is presented and discussed.

  10. Effect of antidepressants and psychological therapies, including hypnotherapy, in irritable bowel syndrome: systematic review and meta-analysis.

    Science.gov (United States)

    Ford, Alexander C; Quigley, Eamonn M M; Lacy, Brian E; Lembo, Anthony J; Saito, Yuri A; Schiller, Lawrence R; Soffer, Edy E; Spiegel, Brennan M R; Moayyedi, Paul

    2014-09-01

    Irritable bowel syndrome (IBS) is a chronic functional gastrointestinal disorder. Evidence relating to the treatment of this condition with antidepressants and psychological therapies continues to accumulate. We performed an updated systematic review and meta-analysis of randomized controlled trials (RCTs). MEDLINE, EMBASE, and the Cochrane Controlled Trials Register were searched (up to December 2013). Trials recruiting adults with IBS, which compared antidepressants with placebo, or psychological therapies with control therapy or "usual management," were eligible. Dichotomous symptom data were pooled to obtain a relative risk (RR) of remaining symptomatic after therapy, with a 95% confidence interval (CI). The search strategy identified 3,788 citations. Forty-eight RCTs were eligible for inclusion: thirty-one compared psychological therapies with control therapy or "usual management," sixteen compared antidepressants with placebo, and one compared both psychological therapy and antidepressants with placebo. Ten of the trials of psychological therapies, and four of the RCTs of antidepressants, had been published since our previous meta-analysis. The RR of IBS symptom not improving with antidepressants vs. placebo was 0.67 (95% CI=0.58-0.77), with similar treatment effects for both tricyclic antidepressants and selective serotonin reuptake inhibitors. The RR of symptoms not improving with psychological therapies was 0.68 (95% CI=0.61-0.76). Cognitive behavioral therapy, hypnotherapy, multicomponent psychological therapy, and dynamic psychotherapy were all beneficial. Antidepressants and some psychological therapies are effective treatments for IBS. Despite the considerable number of studies published in the intervening 5 years since we last examined this issue, the overall summary estimates of treatment effect have remained remarkably stable.

  11. Chemical and mechanical analysis of boron-rich boron carbide processed via spark plasma sintering

    Science.gov (United States)

    Munhollon, Tyler Lee

    Boron carbide is a material of choice for many industrial and specialty applications due to the exceptional properties it exhibits such as high hardness, chemical inertness, low specific gravity, high neutron cross section and more. The combination of high hardness and low specific gravity makes it especially attractive for high pressure/high strain rate applications. However, boron carbide exhibits anomalous behavior when high pressures are applied. Impact pressures over the Hugoniot elastic limit result in catastrophic failure of the material. This failure has been linked to amorphization in cleavage planes and loss of shear strength. Atomistic modeling has suggested boron-rich boron carbide (B13C2) may be a better performing material than the commonly used B4C due to the elimination of amorphization and an increase in shear strength. Therefore, a clear experimental understanding of the factors that lead to the degradation of mechanical properties as well as the effects of chemistry changes in boron carbide is needed. For this reason, the goal of this thesis was to produce high purity boron carbide with varying stoichiometries for chemical and mechanical property characterization. Utilizing rapid carbothermal reduction and pressure assisted sintering, dense boron carbides with varying stoichiometries were produced. Microstructural characteristics such as impurity inclusions, porosity and grain size were controlled. The chemistry and common static mechanical properties that are of importance to superhard materials including elastic moduli, hardness and fracture toughness of the resulting boron-rich boron carbides were characterized. A series of six boron carbide samples were processed with varying amounts of amorphous boron (up to 45 wt. % amorphous boron). Samples with greater than 40 wt.% boron additions were shown to exhibit abnormal sintering behavior, making it difficult to characterize these samples. Near theoretical densities were achieved in samples with

  12. Chemicals of emerging concern in the Great Lakes Basin: an analysis of environmental exposures.

    Science.gov (United States)

    Klecka, Gary; Persoon, Carolyn; Currie, Rebecca

    2010-01-01

    This review and statistical analysis was conducted to better understand the nature and significance of environmental exposures in the Great Lakes Basin and watershed to a variety of environmental contaminants. These contaminants of interest included current-use pesticides, pharmaceuticals, organic wastewater contaminants, alkylphenol ethoxylates, perfluorinated surfactants, flame retardants, and chlorinated paraffins. The available literature was critically reviewed and used to develop a database containing 19,611 residue values for 326 substances. In many papers, sampling locations were characterized as being downstream from municipal wastewater discharges, receiving waters for industrial facilities, areas susceptible to agricultural or urban contamination, or harbors and ports. To develop an initial assessment of their potential ecological significance, the contamination levels found were compared with currently available regulatory standards, guidelines, or criteria. This review was prepared for the IJC multi-board work group, and served as background material for an expert consultation, held in March, 2009, in which the significance of the contaminants found was discussed. Moreover, the consultation attempted to identify and assess opportunities for strengthening future actions that will protect the Great Lakes. Based on the findings and conclusions of the expert consultation, it is apparent that a wide variety of chemicals of emerging concern have been detected in environmental media (air, water, sediment, biota) from the Great Lakes Basin, although many are present at only trace levels. Although the presence of these contaminants raises concerns in the public and among the scientific community, the findings must be placed in context. Significant scientific interpretation is required to understand the extent to which these chemicals may pose a threat to the ecosystem and to human health. The ability to detect chemicals in environmental media greatly surpasses

  13. Comparative genomic analysis of the genus Staphylococcus including Staphylococcus aureus and its newly described sister species Staphylococcus simiae

    Science.gov (United States)

    2012-01-01

    Background Staphylococcus belongs to the Gram-positive low G + C content group of the Firmicutes division of bacteria. Staphylococcus aureus is an important human and veterinary pathogen that causes a broad spectrum of diseases, and has developed important multidrug resistant forms such as methicillin-resistant S. aureus (MRSA). Staphylococcus simiae was isolated from South American squirrel monkeys in 2000, and is a coagulase-negative bacterium, closely related, and possibly the sister group, to S. aureus. Comparative genomic analyses of closely related bacteria with different phenotypes can provide information relevant to understanding adaptation to host environment and mechanisms of pathogenicity. Results We determined a Roche/454 draft genome sequence for S. simiae and included it in comparative genomic analyses with 11 other Staphylococcus species including S. aureus. A genome based phylogeny of the genus confirms that S. simiae is the sister group to S. aureus and indicates that the most basal Staphylococcus lineage is Staphylococcus pseudintermedius, followed by Staphylococcus carnosus. Given the primary niche of these two latter taxa, compared to the other species in the genus, this phylogeny suggests that human adaptation evolved after the split of S. carnosus. The two coagulase-positive species (S. aureus and S. pseudintermedius) are not phylogenetically closest but share many virulence factors exclusively, suggesting that these genes were acquired by horizontal transfer. Enrichment in genes related to mobile elements such as prophage in S. aureus relative to S. simiae suggests that pathogenesis in the S. aureus group has developed by gene gain through horizontal transfer, after the split of S. aureus and S. simiae from their common ancestor. Conclusions Comparative genomic analyses across 12 Staphylococcus species provide hypotheses about lineages in which human adaptation has taken place and contributions of horizontal transfer in pathogenesis. PMID

  14. K-targeted metabolomic analysis extends chemical subtraction to DESIGNER extracts: selective depletion of extracts of hops (Humulus lupulus).

    Science.gov (United States)

    Ramos Alvarenga, René F; Friesen, J Brent; Nikolić, Dejan; Simmler, Charlotte; Napolitano, José G; van Breemen, Richard; Lankin, David C; McAlpine, James B; Pauli, Guido F; Chen, Shao-Nong

    2014-12-26

    This study introduces a flexible and compound targeted approach to Deplete and Enrich Select Ingredients to Generate Normalized Extract Resources, generating DESIGNER extracts, by means of chemical subtraction or augmentation of metabolites. Targeting metabolites based on their liquid-liquid partition coefficients (K values), K targeting uses countercurrent separation methodology to remove single or multiple compounds from a chemically complex mixture, according to the following equation: DESIGNER extract = total extract ± target compound(s). Expanding the scope of the recently reported depletion of extracts by immunoaffinity or solid phase liquid chromatography, the present approach allows a more flexible, single- or multi-targeted removal of constituents from complex extracts such as botanicals. Chemical subtraction enables both chemical and biological characterization, including detection of synergism/antagonism by both the subtracted targets and the remaining metabolite mixture, as well as definition of the residual complexity of all fractions. The feasibility of the DESIGNER concept is shown by K-targeted subtraction of four bioactive prenylated phenols, isoxanthohumol (1), 8-prenylnaringenin (2), 6-prenylnaringenin (3), and xanthohumol (4), from a standardized hops (Humulus lupulus L.) extract using specific solvent systems. Conversely, adding K-targeted isolates allows enrichment of the original extract and hence provides an augmented DESIGNER material. Multiple countercurrent separation steps were used to purify each of the four compounds, and four DESIGNER extracts with varying depletions were prepared. The DESIGNER approach innovates the characterization of chemically complex extracts through integration of enabling technologies such as countercurrent separation, K-by-bioactivity, the residual complexity concepts, as well as quantitative analysis by (1)H NMR, LC-MS, and HiFSA-based NMR fingerprinting.

  15. Chemical imaging and solid state analysis at compact surfaces using UV imaging

    DEFF Research Database (Denmark)

    Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

    2014-01-01

    , and microcrystalline cellulose together with magnesium stearate as excipients were used as model materials in the compacts. The UV imaging based drug and excipient distribution was in good agreement with hyperspectral NIR imaging. The UV wavelength region can be utilized in distinguishing between glibenclamide......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...... and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging...

  16. Laser Induced Breakdown Spectroscopy applications to meteorites: Chemical analysis and composition profiles

    Science.gov (United States)

    Dell'Aglio, M.; De Giacomo, A.; Gaudiuso, R.; de Pascale, O.; Senesi, G. S.; Longo, S.

    2010-12-01

    A fast procedure for chemical analysis of different meteorites is presented, based on LIBS (Laser Induced Breakdown Spectroscopy). The technique is applied to several test cases (Dhofar 019, Dhofar 461, Sahara 98222, Toluca, Sikhote Alin and Campo del Cielo) and can be useful for rapid meteorite identification providing geologists with specific chemical information for meteorite classification. Concentration profiles of Fe, Ni and Co are simultaneously detected across the Widmanstätten structure of the iron meteorite Toluca with a view to determining cooling rates. The LIBS analysis of meteorites is also used as a laboratory test for analogous studies on the respective parent bodies (Mars, asteroids) in space exploration missions where one clear advantage of the proposed technique is that no direct contact with the sample is required.

  17. Isotopic Abundance and Chemical Purity Analysis of Stable Isotope Deuterium Labeled Sudan I

    Directory of Open Access Journals (Sweden)

    CAI Yin-ping;LEI Wen;ZHENG Bo;DU Xiao-ning

    2014-02-01

    Full Text Available It is important that to analysis of the isotopic abundance and chemical purity of Sudan I-D5, which is the internal standard of isotope dilution mass spectrometry. The isotopic abundance of Sudan I-D5 is detected by “mass cluster” classification method and LC-MS. The repeatability and reproducibility experiments were carried out by using different mass spectrometers and different operators. The RSD was less than 0.1%, so the repeatability and reproducibility were satisfactory. The accuracy and precision of the isotopic abundance analysis method was good with the results of F test and t test. The high performance liquid chromatography (HPLC had been used for detecting the chemical purity of Sudan I-D5 as external standard method.

  18. Analysis of quantum ballistic electron transport in ultrasmall silicon devices including space-charge and geometric effects

    Science.gov (United States)

    Laux, S. E.; Kumar, A.; Fischetti, M. V.

    2004-05-01

    A two-dimensional device simulation program which self consistently solves the Schrödinger and Poisson equations with current flow is described in detail. Significant approximations adopted in this work are the absence of scattering and a simple six-valley, parabolic band structure for silicon. A modified version of the quantum transmitting boundary method is used to describe open boundary conditions permitting current flow in device solutions far from equilibrium. The continuous energy spectrum of the system is discretized by temporarily imposing two different forms of closed boundary conditions, resulting in energies which sample the density-of-states and establish the wave function normalization conditions. These standing wave solutions ("normal modes") are decomposed into their traveling wave constituents, each of which represents injection from only one of the open boundary contacts ("traveling eigencomponents"). These current-carrying states are occupied by a drifted Fermi distribution associated with their injecting contact and summed to form the electron density in the device. Holes are neglected in this calculation. The Poisson equation is solved on the same finite element computational mesh as the Schrödinger equation; devices of arbitrary geometry can be modeled. Computational performance of the program including characterization of a "Broyden+Newton" algorithm employed in the iteration for self consistency is described. Device results are presented for a narrow silicon resonant tunneling diode (RTD) and many variants of idealized silicon double-gate field effect transistors (DGFETs). The RTD results show two resonant conduction peaks, each of which demonstrates hysteresis. Three 7.5 nm channel length DGFET structures with identical intrinsic device configurations but differing access geometries (straight, taper and "dog bone") are studied and found to have differing current flows owing to quantum-mechanical reflection in their access regions

  19. Primary reference materials for chemical composition analysis - Proposal for an operational definition.

    Science.gov (United States)

    Hässelbarth, W

    1996-01-01

    A metrologically motivated concept of a "Primary reference material (PRM)" for chemical composition analysis is proposed. This concept turns out to be essentially equivalent to that of a "Certified reference material (CRM)", as described in the relevant ISO Guides. Since the majority of actually available CRMs are far from realizing the theoretical concept, it is proposed to re-name and moderately revise the theoretical concept and to give it a new try to be put into practice.

  20. Adaptation of chemical methods of analysis to the matrix of pyrite-acidified mining lakes

    International Nuclear Information System (INIS)

    Herzsprung, P.; Friese, K.

    2000-01-01

    Owing to the unusual matrix of pyrite-acidified mining lakes, the analysis of chemical parameters may be difficult. A number of methodological improvements have been developed so far, and a comprehensive validation of methods is envisaged. The adaptation of the available methods to small-volume samples of sediment pore waters and the adaptation of sensitivity to the expected concentration ranges is an important element of the methods applied in analyses of biogeochemical processes in mining lakes [de

  1. Quality system of the Chemical Analysis Laboratory to fulfill the requirements with Certification Organizations

    International Nuclear Information System (INIS)

    Merlo S, L.; Rodriguez L, R.; Cota S, G.

    1996-01-01

    In the present work was described the Quality System established in the Chemical Analysis Department to fulfill with the Organization requirements, personnel, measurement equipment, calibration, working procedures, etc. to get official acknowledgment by the National Assurance System for Testing laboratories, dependent of the General Standards Direction. There are described the available resources, the performance and control of each of one principal points of the system. (Author)

  2. Qualitative analysis of the crystalline and chemical content of the Teredo sp. (Turu)

    International Nuclear Information System (INIS)

    Matos, E.; Matos, M.; Matos, P.

    1990-01-01

    A qualitative analysis of the crystalline and elementary content of the Teredo sp. (Turu) is realised by diffraction and fluorescence Phillips equipment. A diffractogram and X-ray spectra are studied. The head constitution is almost exclusively formed by aragonite and calcite, visceral mass and coat, formed by Ca, K, S, P, Cl, Si, Fe and Ti. The relative amount of these chemical elements is the difference between each part of the Teredo sp. (Turu). (M.A.C.)

  3. Analysis of scientific papers included in the sciences citation index expanded written by South korean plastic surgeons: 2001-2010.

    Science.gov (United States)

    Go, Ju Young; Mun, Goo-Hyun; Jeon, Byung-Joon; Lim, So-Young; Pyon, Jai-Kyong; Bang, Sa-Ik; Oh, Kap Sung; Shin, Myoung-Soo

    2012-01-01

    The purpose of our study was to analyze scientific papers published by South Korean plastic surgeons in journals included in the Science Citation Index Expanded (SCIE), and to evaluate the publication and research activities of Korean plastic surgeon. We conducted a survey of SCIE papers in the field of plastic surgery published by South Korean authors between 2001 and 2010 using Web of Science software. We further analyzed these results according to the number of publications per year, journals, institution, and type of papers. We also compared the total number of citations to published scientific papers. We analyzed the rank of South Korea among other countries in representative journals. Overall, 667 papers were published by South Korean authors between 2001 and 2010. The number of publications increased dramatically from 2003 (n=31) to 2010 (n=139). Subsequently, the ten most productive Korean medical colleges were identified. All published papers received 2,311 citations and the citation to paper ratio was 3.49. The rank of Korea among other countries in terms of the number of published papers remained in the top 10 during the recent 10 years. Publication output of Korean plastic surgeon over the last 10 years showed a remarkable growth in terms of quantity and quality. Currently, Korea is among the top six countries in representative plastic surgery journals. Korean plastic surgeons have played a central role in this progress, and it is anticipated that they will continue to do so in the future.

  4. Performance Analysis of a Six-Port Receiver in a WCDMA Communication System including a Multipath Fading Channel

    Directory of Open Access Journals (Sweden)

    A. O. Olopade

    2014-01-01

    Full Text Available Third generation communication systems require receivers with wide bandwidth of operation to support high transmission rates and are also reconfigurable to support various communication standards with different frequency bands. An ideal software defined radio (SDR will be the absolute answer to this requirement but it is not achievable with the current level of technology. This paper proposes the use of a six-port receiver (SPR front-end (FE in a WCDMA communication system. A WCDMA end-to-end physical layer MATLAB demo which includes a multipath channel distortion block is used to determine the viability of the six-port based receiver. The WCDMA signal after passing through a multipath channel is received using a constructed SPR FE. The baseband signal is then calibrated and corrected in MATLAB. The six-port receiver performance is measured in terms of bit error rate (BER. The signal-to-noise ratio (SNR of the transmitted IQ data is varied and the BER profile of the communication system is plotted. The effect of the multipath fading on the receiver performance and the accuracy of the calibration algorithm are obtained by comparing two different measured BER curves for different calibration techniques to the simulated BER curve of an ideal receiver.

  5. Analysis of the chromosome X exome in patients with autism spectrum disorders identified novel candidate genes, including TMLHE

    Science.gov (United States)

    Nava, C; Lamari, F; Héron, D; Mignot, C; Rastetter, A; Keren, B; Cohen, D; Faudet, A; Bouteiller, D; Gilleron, M; Jacquette, A; Whalen, S; Afenjar, A; Périsse, D; Laurent, C; Dupuits, C; Gautier, C; Gérard, M; Huguet, G; Caillet, S; Leheup, B; Leboyer, M; Gillberg, C; Delorme, R; Bourgeron, T; Brice, A; Depienne, C

    2012-01-01

    The striking excess of affected males in autism spectrum disorders (ASD) suggests that genes located on chromosome X contribute to the etiology of these disorders. To identify new X-linked genes associated with ASD, we analyzed the entire chromosome X exome by next-generation sequencing in 12 unrelated families with two affected males. Thirty-six possibly deleterious variants in 33 candidate genes were found, including PHF8 and HUWE1, previously implicated in intellectual disability (ID). A nonsense mutation in TMLHE, which encodes the ɛ-N-trimethyllysine hydroxylase catalyzing the first step of carnitine biosynthesis, was identified in two brothers with autism and ID. By screening the TMLHE coding sequence in 501 male patients with ASD, we identified two additional missense substitutions not found in controls and not reported in databases. Functional analyses confirmed that the mutations were associated with a loss-of-function and led to an increase in trimethyllysine, the precursor of carnitine biosynthesis, in the plasma of patients. This study supports the hypothesis that rare variants on the X chromosome are involved in the etiology of ASD and contribute to the sex-ratio disequilibrium. PMID:23092983

  6. Static response of coated microbubbles compressed between rigid plates: Simulations and asymptotic analysis including elastic and adhesive forces

    Science.gov (United States)

    Lytra, A.; Pelekasis, N.

    2018-03-01

    The static response of coated microbubbles is investigated with a novel approach employed for modeling contact between a microbubble and the cantilever of an atomic force microscope. Elastic tensions and moments are described via appropriate constitutive laws. The encapsulated gas is assumed to undergo isothermal variations. Due to the hydrophilic nature of the cantilever, an ultrathin aqueous film is formed, which transfers the force onto the shell. An interaction potential describes the local pressure applied on the shell. The problem is solved in axisymmetric form with the finite element method. The response is governed by the dimensionless bending, k^ b=kb/(χ R02 ), pressure, P^ A=(PAR0 )/χ , and interaction potential, W ^ =w0/χ . Hard polymeric shells have negligible resistance to gas compression, while for the softer lipid shells gas compressibility is comparable with shell elasticity. As the external force increases, numerical simulations reveal that the force versus deformation (f vs d) curve of polymeric shells exhibits a transition from the linear O(d) (Reissner) regime, marked by flattened shapes around the contact region, to a non-linear O(d1/2) (Pogorelov) regime dominated by shapes exhibiting crater formation due to buckling. When lipid shells are tested, buckling is bypassed as the external force increases and flattened shapes prevail in an initially linear f vs d curve. Transition to a curved upwards regime is observed as the force increases, where gas compression and area dilatation form the dominant balance providing a nonlinear regime with an O(d3) dependence. Asymptotic analysis recovers the above patterns and facilitates estimation of the shell mechanical properties.

  7. Ultrasonic nebulization extraction/low pressure photoionization mass spectrometry for direct analysis of chemicals in matrices.

    Science.gov (United States)

    Liu, Chengyuan; Zhu, Yanan; Zhou, Zhongyue; Yang, Jiuzhong; Qi, Fei; Pan, Yang

    2015-09-03

    A novel ultrasonic nebulization extraction/low-pressure photoionization (UNE-LPPI) system has been designed and employed for the rapid mass spectrometric analysis of chemicals in matrices. An ultrasonic nebulizer was used to extract the chemicals in solid sample and nebulize the solvent in the nebulization cell. Aerosols formed by ultrasonic were evaporated by passing through a transferring tube, and desolvated chemicals were ionized by the emitted light (10.6 eV) from a Krypton discharge lamp at low pressure (∼68 Pa). First, a series of semi/non-volatile compounds with different polarities, such as polycyclic aromatic hydrocarbons (PAHs), amino acids, dipeptides, drugs, nucleic acids, alkaloids, and steroids were used to test the system. Then, the quantification capability of UNE-LPPI was checked with: 1) pure chemicals, such as 9,10-phenanthrenequinone and 1,4-naphthoquinone dissolved in solvent; 2) soil powder spiked with different amounts of phenanthrene and pyrene. For pure chemicals, the correlation coefficient (R(2)) for the standard curve of 9,10-phenanthrenequinone in the range of 3 ng-20 μg mL(-1) was 0.9922, and the measured limits of detection (LOD) was 1 ng ml(-1). In the case of soil powder, linear relationships for phenanthrene and pyrene from 10 to 400 ng mg(-1) were obtained with correlation coefficients of 0.9889 and 0.9893, respectively. At last, the feasibility of UNE-LPPI for the detection of chemicals in real matrices such as tablets and biological tissues (tea, Citrus aurantium peel and sage (Salvia officinalis) leaf) were successfully demonstrated. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Chemical characterization of ancient pottery from the southwest Amazonia using neutron activation analysis

    International Nuclear Information System (INIS)

    Carvalho, Patricia R.; Munita, Casimiro S.; Neves, Eduardo G.; Zimpel, Carlos A.; Universidade de Sao Paulo

    2017-01-01

    The analyzes carried out in this work aims to contribute to the discussion about the ceramic objects founded in Monte Castelo's sambaqui located at Southwest Amazonia. The first study accomplished by Miller in 1980 suggests that this archaeological site is inserted in the old contexts of production of ceramics in the Amazon. Until today, there are not any physical and chemical analysis studies in this ceramics and this kind of studies may help archaeological studies performed at the sambaqui. With this purpose, this work presents a preliminary study of chemical characterization of eighty-seven ceramic samples using the Neutron Activation Analysis (NAA). The analyzed elements were: As, K, La, Lu, Na, Nd, Sm, U, Yb, Ce, Co, Cr, Cs, Eu, Fe, Hf, Rb, Sc, Ta, Tb, Th. With the purpose to study the similarity/dissimilarity between the samples cluster and discriminant analysis were used. The results showed the existence of three different chemical groups that are in agreement with the archaeological studies made by Miller which found a sequence of cultural development, with three main occupational components whose dating ranging from 8.400 to 4.000 b.P. In this way, the results of this work are in agreement with miller's studies and suggest Bacabal's phase as the oldest ceramist culture in the Southwest of the Amazon. (author)

  9. Chemical characterization of ancient pottery from the southwest Amazonia using neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Patricia R.; Munita, Casimiro S.; Neves, Eduardo G.; Zimpel, Carlos A., E-mail: camunita@ipen.br, E-mail: edgneves@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Universidade de Sao Paulo (MAE/USP), SP (Brazil). Museu de Arqueologia e Etnologia

    2017-11-01

    The analyzes carried out in this work aims to contribute to the discussion about the ceramic objects founded in Monte Castelo's sambaqui located at Southwest Amazonia. The first study accomplished by Miller in 1980 suggests that this archaeological site is inserted in the old contexts of production of ceramics in the Amazon. Until today, there are not any physical and chemical analysis studies in this ceramics and this kind of studies may help archaeological studies performed at the sambaqui. With this purpose, this work presents a preliminary study of chemical characterization of eighty-seven ceramic samples using the Neutron Activation Analysis (NAA). The analyzed elements were: As, K, La, Lu, Na, Nd, Sm, U, Yb, Ce, Co, Cr, Cs, Eu, Fe, Hf, Rb, Sc, Ta, Tb, Th. With the purpose to study the similarity/dissimilarity between the samples cluster and discriminant analysis were used. The results showed the existence of three different chemical groups that are in agreement with the archaeological studies made by Miller which found a sequence of cultural development, with three main occupational components whose dating ranging from 8.400 to 4.000 b.P. In this way, the results of this work are in agreement with miller's studies and suggest Bacabal's phase as the oldest ceramist culture in the Southwest of the Amazon. (author)

  10. Systematic analysis of Ca2+ homeostasis in Saccharomyces cerevisiae based on chemical-genetic interaction profiles

    Science.gov (United States)

    Ghanegolmohammadi, Farzan; Yoshida, Mitsunori; Ohnuki, Shinsuke; Sukegawa, Yuko; Okada, Hiroki; Obara, Keisuke; Kihara, Akio; Suzuki, Kuninori; Kojima, Tetsuya; Yachie, Nozomu; Hirata, Dai; Ohya, Yoshikazu

    2017-01-01

    We investigated the global landscape of Ca2+ homeostasis in budding yeast based on high-dimensional chemical-genetic interaction profiles. The morphological responses of 62 Ca2+-sensitive (cls) mutants were quantitatively analyzed with the image processing program CalMorph after exposure to a high concentration of Ca2+. After a generalized linear model was applied, an analysis of covariance model was used to detect significant Ca2+–cls interactions. We found that high-dimensional, morphological Ca2+–cls interactions were mixed with positive (86%) and negative (14%) chemical-genetic interactions, whereas one-dimensional fitness Ca2+–cls interactions were all negative in principle. Clustering analysis with the interaction profiles revealed nine distinct gene groups, six of which were functionally associated. In addition, characterization of Ca2+–cls interactions revealed that morphology-based negative interactions are unique signatures of sensitized cellular processes and pathways. Principal component analysis was used to discriminate between suppression and enhancement of the Ca2+-sensitive phenotypes triggered by inactivation of calcineurin, a Ca2+-dependent phosphatase. Finally, similarity of the interaction profiles was used to reveal a connected network among the Ca2+ homeostasis units acting in different cellular compartments. Our analyses of high-dimensional chemical-genetic interaction profiles provide novel insights into the intracellular network of yeast Ca2+ homeostasis. PMID:28566553

  11. Enhanced Chemical Incident Response Plan (ECIRP). Appendix F, remediation analysis with Decision Support Tools (DSTs) for wide-area chemical hazards.

    Energy Technology Data Exchange (ETDEWEB)

    Hassig, Nancy L. (Pacific Northwest National Laboratory, Richland, WA); Pulsipher, Brent A. (Pacific Northwest National Laboratory, Richland, WA); Foltz, Greg W.; Hoette, Trisha Marie

    2011-07-01

    The Defense Threat Reduction Agency (DTRA) commissioned an assessment of the Consequence Management (CM) plans in place on military bases for response to a chemical attack. The effectiveness of the CM plans for recovering from chemical incidents was modeled using a multiple Decision Support Tools (DSTs). First, a scenario was developed based on an aerial dispersion of a chemical agent over a wide-area of land. The extent of contamination was modeled with the Hazard Prediction and Assessment Capability (HPAC) tool. Subsequently, the Analyzer for Wide Area Restoration Effectiveness (AWARE) tool was used to estimate the cost and time demands for remediation based on input of contamination maps, sampling and decontamination resources, strategies, rates and costs. The sampling strategies incorporated in the calculation were designed using the Visual Sample Plan (VSP) tool. Based on a gaps assessment and the DST remediation analysis, an Enhanced Chemical Incident Response Plan (ECIRP) was developed.

  12. Tocilizumab use in pregnancy: Analysis of a global safety database including data from clinical trials and post-marketing data.

    Science.gov (United States)

    Hoeltzenbein, Maria; Beck, Evelin; Rajwanshi, Richa; Gøtestam Skorpen, Carina; Berber, Erhan; Schaefer, Christof; Østensen, Monika

    2016-10-01

    Analyze the cumulative evidence for pregnancy outcomes after maternal exposure to tocilizumab, an anti-interleukin-6-receptor monoclonal antibody used for the treatment of rheumatoid arthritis and juvenile idiopathic arthritis. At present, published experience on tocilizumab use during pregnancy is very limited. We have analyzed all pregnancy-related reports documented in the Roche Global Safety Database until December 31, 2014 (n = 501). After exclusion of ongoing pregnancies, duplicates, and cases retrieved from the literature, 399 women were found to have been exposed to tocilizumab shortly before or during pregnancy, with pregnancy outcomes being reported in 288 pregnancies (72.2%). Of these 288 pregnancies, 180 were prospectively reported resulting in 109 live births (60.6%), 39 spontaneous abortions (21.7%), 31 elective terminations of pregnancy (17.2%), and 1 stillbirth. The rate of malformations was 4.5%. Co-medications included methotrexate in 21.1% of the prospectively ascertained cases. Compared to the general population, an increased rate of preterm birth (31.2%) was observed. Retrospectively reported pregnancies (n = 108) resulted in 55 live births (50.9%), 31 spontaneous abortions (28.7%), and 22 elective terminations (20.4%). Three infants/fetuses with congenital anomalies were reported in this group. No increased risks for adverse pregnancy outcomes were observed after paternal exposure in 13 pregnancies with known outcome. No indication for a substantially increased malformation risk was observed. Considering the limitations of global safety databases, the data do not yet prove safety, but provide information for physicians and patients to make informed decisions. This is particularly important after inadvertent exposure to tocilizumab, shortly before or during early pregnancy. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. One Dimensional Analysis Model of a Condensing Spray Chamber Including Rocket Exhaust Using SINDA/FLUINT and CEA

    Science.gov (United States)

    Sakowski, Barbara; Edwards, Daryl; Dickens, Kevin

    2014-01-01

    Modeling droplet condensation via CFD codes can be very tedious, time consuming, and inaccurate. CFD codes may be tedious and time consuming in terms of using Lagrangian particle tracking approaches or particle sizing bins. Also since many codes ignore conduction through the droplet and or the degradating effect of heat and mass transfer if noncondensible species are present, the solutions may be inaccurate. The modeling of a condensing spray chamber where the significant size of the water droplets and the time and distance these droplets take to fall, can make the effect of droplet conduction a physical factor that needs to be considered in the model. Furthermore the presence of even a relatively small amount of noncondensible has been shown to reduce the amount of condensation [Ref 1]. It is desirable then to create a modeling tool that addresses these issues. The path taken to create such a tool is illustrated. The application of this tool and subsequent results are based on the spray chamber in the Spacecraft Propulsion Research Facility (B2) located at NASA's Plum Brook Station that tested an RL-10 engine. The platform upon which the condensation physics is modeled is SINDAFLUINT. The use of SINDAFLUINT enables the ability to model various aspects of the entire testing facility, including the rocket exhaust duct flow and heat transfer to the exhaust duct wall. The ejector pumping system of the spray chamber is also easily implemented via SINDAFLUINT. The goal is to create a transient one dimensional flow and heat transfer model beginning at the rocket, continuing through the condensing spray chamber, and finally ending with the ejector pumping system. However the model of the condensing spray chamber may be run independently of the rocket and ejector systems detail, with only appropriate mass flow boundary conditions placed at the entrance and exit of the condensing spray chamber model. The model of the condensing spray chamber takes into account droplet

  14. Probabilistic modelling of human exposure to intense sweeteners in Italian teenagers: validation and sensitivity analysis of a probabilistic model including indicators of market share and brand loyalty.

    Science.gov (United States)

    Arcella, D; Soggiu, M E; Leclercq, C

    2003-10-01

    For the assessment of exposure to food-borne chemicals, the most commonly used methods in the European Union follow a deterministic approach based on conservative assumptions. Over the past few years, to get a more realistic view of exposure to food chemicals, risk managers are getting more interested in the probabilistic approach. Within the EU-funded 'Monte Carlo' project, a stochastic model of exposure to chemical substances from the diet and a computer software program were developed. The aim of this paper was to validate the model with respect to the intake of saccharin from table-top sweeteners and cyclamate from soft drinks by Italian teenagers with the use of the software and to evaluate the impact of the inclusion/exclusion of indicators on market share and brand loyalty through a sensitivity analysis. Data on food consumption and the concentration of sweeteners were collected. A food frequency questionnaire aimed at identifying females who were high consumers of sugar-free soft drinks and/or of table top sweeteners was filled in by 3982 teenagers living in the District of Rome. Moreover, 362 subjects participated in a detailed food survey by recording, at brand level, all foods and beverages ingested over 12 days. Producers were asked to provide the intense sweeteners' concentration of sugar-free products. Results showed that consumer behaviour with respect to brands has an impact on exposure assessments. Only probabilistic models that took into account indicators of market share and brand loyalty met the validation criteria.

  15. Rapid analysis of the chemical composition of agricultural fibers using near infrared spectroscopy and pyrolysis molecular beam mass spectrometry

    Science.gov (United States)

    Stephen S. Kelley; Roger M. Rowell; Mark Davis; Cheryl K. Jurich; Rebecca Ibach

    2004-01-01

    The chemical composition of a variety of agricultural biomass samples was analyzed with near infrared spectroscopy and pyrolysis molecular beam mass spectroscopy. These samples were selected from a wide array of agricultural residue samples and included residues that had been subjected to a variety of di2erent treatments including solvent extractions and chemical...

  16. Pathway analysis and exposure assessment: MEPAS modeling for nonradiological chemical contaminants at the Hanford Site

    International Nuclear Information System (INIS)

    Blanton, M.L.; Dirkes, R.; Buck, J.; Cooper, A.; Castieton, K.; Glantz, C.

    1995-01-01

    A Chemical Pathway Analysis and Exposure Assessment was performed by the Surface Environmental Surveillance Project (SESP). The SESP monitors air, surface water, sediment, agricultural products, vegetation, soil, and wildlife in order to assess onsite of offsite environmental impacts and offsite human health risk at the Hanford Site. The objectives of this study are (1) determine if a nonradiological chemical monitoring program is warranted for the Hanford Site, (2) ensure that the selection of surveillance parameters such as media, sampling location, and analytes are chosen in a manner that is scientifically sound and cost-efficient, and (3) identify specific nonradiological chemicals of concern (COC) for the Hanford Site. The basis for identification of COC for the Hanford Site was an extensive literature review. The model was also used to predict COC concentrations required onsite to achieve an offsite cancer incidence of 1 E-6 and a hazard quotient of 1.0. This study indicated that nonradiological chemical contamination occurring onsite does not pose a significant offsite human health risk. The highest cancer incidence to the offsite maximally exposed individual from COC was from arsenic (1.76E-1 0); the highest hazard quotient was chromium VI (1.48E-04)

  17. Chemical Reactors.

    Science.gov (United States)

    Kenney, C. N.

    1980-01-01

    Describes a course, including content, reading list, and presentation on chemical reactors at Cambridge University, England. A brief comparison of chemical engineering education between the United States and England is also given. (JN)

  18. A chemical profiling strategy for semi-quantitative analysis of flavonoids in Ginkgo extracts.

    Science.gov (United States)

    Yang, Jing; Wang, An-Qi; Li, Xue-Jing; Fan, Xue; Yin, Shan-Shan; Lan, Ke

    2016-05-10

    Flavonoids analysis in herbal products is challenged by their vast chemical diversity. This work aimed to develop a chemical profiling strategy for the semi-quantification of flavonoids using extracts of Ginkgo biloba L. (EGB) as an example. The strategy was based on the principle that flavonoids in EGB have an almost equivalent molecular absorption coefficient at a fixed wavelength. As a result, the molecular-contents of flavonoids were able to be semi-quantitatively determined by the molecular-concentration calibration curves of common standards and recalculated as the mass-contents with the characterized molecular weight (MW). Twenty batches of EGB were subjected to HPLC-UV/DAD/MS fingerprinting analysis to test the feasibility and reliability of this strategy. The flavonoid peaks were distinguished from the other peaks with principle component analysis and Pearson correlation analysis of the normalized UV spectrometric dataset. Each flavonoid peak was subsequently tentatively identified by the MS data to ascertain their MW. It was highlighted that the flavonoids absorption at Band-II (240-280 nm) was more suitable for the semi-quantification purpose because of the less variation compared to that at Band-I (300-380 nm). The semi-quantification was therefore conducted at 254 nm. Beyond the qualitative comparison results acquired by common chemical profiling techniques, the semi-quantitative approach presented the detailed compositional information of flavonoids in EGB and demonstrated how the adulteration of one batch was achieved. The developed strategy was believed to be useful for the advanced analysis of herbal extracts with a high flavonoid content without laborious identification and isolation of individual components. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Design and analysis of questionnaires for survey skills in chemical engineering

    Directory of Open Access Journals (Sweden)

    Susana Lucas

    2011-09-01

    Full Text Available 800x600 Normal 0 21 false false false CA X-NONE X-NONE The new reorganization of university education has involved relevant changes in teaching and learning methodologies in order to help students to learn more effectively and to develop important skills and competences demanded by the professional world. In this sense the new configuration of the degree in Chemical Engineering required the identification of the main general and transferable skills, the implementation of the new teaching and learning strategies necessary to achieve them and, in addition, an evaluation procedure for determining the importance and the degree of development of a student´s skills and competences. In this exercise, two obligatory chemical reactor engineering subjects of the still in effect Chemical Engineering degree were chosen as examples of competence-based learning disciplines. For each one, a significant group of transferable and specific skills were selected to be developed. The identification and selection of skills was made according to the recommendations of the European Federation of Chemical Engineering (EFCE together with the established requirements in the ministerial order for the new Chemical Engineering Degree (Ministerial order CIN/351/2009. In order to check the effectiveness of teaching strategies in helping students to acquire these abilities, specific questionnaires were designed. These tests allowed for the utility of the competences in question to be evaluated in terms of the students´ professional work as future chemical engineering graduates and also facilitated the perception of skill development acquired through the methodology implemented in these subjects. The results of the skill evaluation questionnaires revealed the importance that both university collectives (students and professors give to the development of transferable skills. These skills included the ability to communicate effectively (including in English, to work in

  20. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages. Copyright © 2015 Elsevier B.V. All rights reserved.