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Sample records for level chemical analysis

  1. LEVEL 2 CHEMICAL ANALYSIS OF FLUIDIZED-BED COMBUSTOR SAMPLES

    EPA Science Inventory

    The report gives results of a Level 1 data evaluation and prioritization and the Level 2 environmental assessment (EA) chemical data acquired on a set of fluidized-bed combustor (FBC) particulate samples. The Level 2 analysis followed the approach described in 'Approach to Level ...

  2. Analysis of the level of comprehension of chemical hazard labels: a case for Zambia.

    PubMed

    Banda, Samuel F; Sichilongo, Kwenga

    2006-06-15

    We have surveyed the impact of chemical hazard label elements on four target sectors, i.e. the agricultural, industrial, transport and the consumer (the general public) sectors, in order to assess the type of reactions the respondents perceive to a given chemical label element such as symbol, hazard phrase, color, and hazard signal word. The survey revealed that the level of education, gender and/or age did not influence the respondents' perception of the extent of hazard but rather familiarity or frequency of use of the chemicals and acquaintance with chemical label elements was significant in the assessment of the extent of perceived hazard posed by a given chemical. Symbols such as the St Andrews Cross--though common--is virtually not understood by more than 80% of the respondents in all the sectors. We noted that respondents appreciate symbols they can relate to, which are flame-like, ghost-like and exert immediate impacts to respondents. Color codes have found use in the agriculture sector because of their ease to be recalled especially by the majority of illiterate farm workers. The survey revealed that red in agricultural circles is well associated with high toxicity while other colors such as yellow and blue can not clearly be associated with hazard. The word "toxic" is not used in the industry and transport sectors where the most hazard signal word is "danger". The Globally Harmonized System (GHS) classification adopted "danger" and "warning" for use as signal words. The survey revealed that effective chemical hazard symbols must not be too abstract to the client but should contain features that are known or easily comprehended. PMID:16426665

  3. Particle Generation by Laser Ablation in Support of Chemical Analysis of High Level Mixed Waste from Plutonium Production Operations

    SciTech Connect

    J. Thomas Dickinson; Michael L. Alexander

    2001-11-30

    Investigate particles produced by laser irradiation and their analysis by Laser Ablation Inductively Coupled Plasma Mass Spectroscopy (LA/ICP-MS), with a view towards optimizing particle production for analysis of high level waste materials and waste glass. LA/ICP-MS has considerable potential to increase the safety and speed of analysis required for the remediation of high level wastes from cold war plutonium production operations. In some sample types, notably the sodium nitrate-based wastes at Hanford and elsewhere, chemical analysis using typical laser conditions depends strongly on the details of sample history composition in a complex fashion, rendering the results of analysis uncertain. Conversely, waste glass materials appear to be better behaved and require different strategies to optimize analysis.

  4. CHEMICAL ANALYSIS OF SIMULATED HIGH LEVEL WASTE GLASSES TO SUPPORT SULFATE SOLUBILITY MODELING

    SciTech Connect

    Fox, K.; Marra, J.

    2014-08-14

    The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms both within the DOE complex and to some extent at U.K. sites. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerated cleanup missions. Much of the previous work on improving sulfate retention in waste glasses has been done on an empirical basis, making it difficult to apply the findings to future waste compositions despite the large number of glass systems studied. A more fundamental, rather than empirical, model of sulfate solubility in glass, under development at Sheffield Hallam University (SHU), could provide a solution to the issues of sulfate solubility. The model uses the normalized cation field strength index as a function of glass composition to predict sulfate capacity, and has shown early success for some glass systems. The objective of the current scope is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DOE waste vitrification efforts, allowing for enhanced waste loadings and waste throughput. A series of targeted glass compositions was selected to resolve data gaps in the current model. SHU fabricated these glasses and sent samples to the Savannah River National Laboratory (SRNL) for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for simulated waste glasses fabricated SHU in support of sulfate solubility model development. A review of the measured compositions revealed that there are issues with the B{sub 2}O{sub 3} and Fe{sub 2}O{sub 3} concentrations

  5. Analysis of chemical samples for environmental levels of radioactivity using a massively shielded 18% Ge(Li) system

    NASA Astrophysics Data System (ADS)

    Blanchard, Fred A.; Lickly, Tim D.

    1984-01-01

    An environmental level gamma radioactivity analysis system has been assembled from a commercially available, high sensitivity, high resolution, low background Ge(Li) detector with associated electronics (without coincidence or anticoincidence) and massive shielding with old iron. A variety of chemicals have been examined as part of a background baseline survey using quantitative peak or gross gamma analysis of the Ge(Li) gamma ray spectrum from a two liter sample in a Marinelli beaker. Gamma peak analysis had a calculated sensitivity (for a 30 min count) of 0.01 to 0.21 pCi/g, depending on sample bulk density, for an isotope such as 137Cs. A similar sensitivity (0.1 pCi/g) was obtained by gross gamma analysis for any mixture of isotopes. A method for estimating the necessary integral background value for samples of different bulk densities was developed. The methods are capable of demonstrating existing natural radioactivity as shown by the 40K and uranium, thorium and their daughters observed in about 16% of the chemicals tested. Especially noticeable were 40K, 228Ac, 212Pb, 208Tl, 214Pb, and 214Bi. The levels and isotopes were similar to those found in soils and common salts.

  6. Investigating chlorophyll and nitrogen levels of mangroves at Al-Khor, Qatar: an integrated chemical analysis and remote sensing approach.

    PubMed

    Al-Naimi, Noora; Al-Ghouti, Mohammad A; Balakrishnan, Perumal

    2016-05-01

    Mangroves are unique ecosystems that dominate tropical and subtropical coastlines around the world. They provide shelter and nursery to wide variety of species such as fish and birds. Around 73 species of mangroves were recognized around the world. In Qatar, there is only one mangrove species Avicennia marina that is predominant along the northeastern coast. Assessing the health of these valuable ecosystems is vital for protection, management, and conservation of those resources. In this study, an integrated approach of chemical and remote sensing analysis was implemented to investigate the current status of the mangrove trees in Al-Khor, Qatar. Fifteen different A. marina trees from different locations in the mangrove forest were examined for their chlorophyll and nitrogen content levels. Soil analysis was also conducted to understand the effect of moisture on nitrogen availability. Results shows that currently, mangroves are in a good status in terms of nitrogen availability and chlorophyll levels which are related and both are key factors for photosynthesis. Remote sensing techniques were used for chlorophyll prediction. The results showed that these methods have the potential to be used for chlorophyll prediction and estimation. PMID:27048493

  7. Chemical and Thermal Analysis

    NASA Technical Reports Server (NTRS)

    Bulluck, J. W.; Rushing, R. A.; Thornton, C. P.

    1996-01-01

    Work has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) for 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 changes in the molecular weight distribution of the Coflon material using a dual detector Gel Permeation Analysis. Again these changes may result in variation 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, Thermogravimetric Analysis, and Differential Scanning Calorimetry. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. Pressurized tests were performed in a modified Fluid G, which we will call G2. In this case the ethylene diamine concentration was increased to 3 percent in methanol. Coflon pipe sections and powdered Coflon were exposed in pressure cells at 1700 psi at three separate test temperatures, 70 C, 110 C, and 130 C. The primary purpose of the pressure tests in Fluid G2 was to further elucidate the aging mechanism of PVDF degradation.

  8. Chemical and Thermal Analysis

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

    Work during the past three years has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) for 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 changes in the molecular weight distribution and the increased crosslinking of the Coflon material using Gel Permeation Chromatographic Analysis. 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, and Differential Scanning Calorimetry. We investigated a plethora of aged samples of both Tefzel and Coflon that were forwarded from MERL. Pressurized tests were performed on powdered PVDF in a modified Fluid A, which we will call A-2. In this case the ethylene diamine concentration was increased to 3 percent in methanol. Coflon pipe sections and powdered Coflon were exposed in pressure cells at 1700 psi at three separate test temperatures.

  9. Vitrification and testing of a Hanford high-level waste sample. Part 1: Glass fabrication, and chemical and radiochemical analysis

    SciTech Connect

    Hrma, Pavel R.; Crum, Jarrod V.; Bates, Derrick J.; Bredt, Paul; Greenwood, Lawrence R.; Smith, H D.

    2005-10-01

    The Hanford radioactive tank waste will be separated into low-activity waste and high-level waste that will both be vitrified into borosilicate glasses. To demonstrate the feasibility of vitrification and the durability of the high-level waste glass, a high-level waste sample from Tank AZ-101 was processed to glass in a hot cell and analyzed with respect to chemical composition, radionuclide content, waste loading, and the presence of crystalline phases and then tested for leachability. The glass was analyzed with inductively coupled plasma-atomic emission spectroscopy, inductively coupled plasma-mass spectrometry, γ energy spectrometry, α spectrometry, and liquid scintillation counting. The WISE Uranium Project calculator was used to calculate the main sources of radioactivity to the year 3115. The observed crystallinity and the results of leachability testing of the glass will be reported in Part 2 of this paper.

  10. Vitrification and testing of a Hanford high-level waste sample. Part 1: Glass fabrication, and chemical and radiochemical analysis

    NASA Astrophysics Data System (ADS)

    Hrma, P.; Crum, J. V.; Bates, D. J.; Bredt, P. R.; Greenwood, L. R.; Smith, H. D.

    2005-10-01

    The Hanford radioactive tank waste will be separated into low-activity waste and high-level waste that will both be vitrified into borosilicate glasses. To demonstrate the feasibility of vitrification and the durability of the high-level waste glass, a high-level waste sample from Tank AZ-101 was processed to glass, analyzed with respect to chemical composition, radionuclide content, waste loading, and the presence of crystalline phases and then tested for leachability. The glass was analyzed with inductively coupled plasma-atomic emission spectroscopy, inductively coupled plasma-mass spectrometry, γ-energy spectrometry, α-spectrometry, and liquid scintillation counting. The WISE Uranium Project calculator was used to calculate the main sources of radioactivity to the year 3115. The observed crystallinity and the results of leachability testing of the glass will be reported in Part 2 of this paper.

  11. Atomic-level structural and chemical analysis of Cr-doped Bi2Se3 thin films

    PubMed Central

    Ghasemi, A.; Kepaptsoglou, D.; Collins-McIntyre, L. J.; Ramasse, Q.; Hesjedal, T.; Lazarov, V. K.

    2016-01-01

    We present a study of the structure and chemical composition of the Cr-doped 3D topological insulator Bi2Se3. Single-crystalline thin films were grown by molecular beam epitaxy on Al2O3 (0001), and their structural and chemical properties determined on an atomic level by aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy. A regular quintuple layer stacking of the Bi2Se3 film is found, with the exception of the first several atomic layers in the initial growth. The spectroscopy data gives direct evidence that Cr is preferentially substituting for Bi in the Bi2Se3 host. We also show that Cr has a tendency to segregate at internal grain boundaries of the Bi2Se3 film. PMID:27221782

  12. Atomic-level structural and chemical analysis of Cr-doped Bi2Se3 thin films.

    PubMed

    Ghasemi, A; Kepaptsoglou, D; Collins-McIntyre, L J; Ramasse, Q; Hesjedal, T; Lazarov, V K

    2016-01-01

    We present a study of the structure and chemical composition of the Cr-doped 3D topological insulator Bi2Se3. Single-crystalline thin films were grown by molecular beam epitaxy on Al2O3 (0001), and their structural and chemical properties determined on an atomic level by aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy. A regular quintuple layer stacking of the Bi2Se3 film is found, with the exception of the first several atomic layers in the initial growth. The spectroscopy data gives direct evidence that Cr is preferentially substituting for Bi in the Bi2Se3 host. We also show that Cr has a tendency to segregate at internal grain boundaries of the Bi2Se3 film. PMID:27221782

  13. Atomic-level structural and chemical analysis of Cr-doped Bi2Se3 thin films

    NASA Astrophysics Data System (ADS)

    Ghasemi, A.; Kepaptsoglou, D.; Collins-McIntyre, L. J.; Ramasse, Q.; Hesjedal, T.; Lazarov, V. K.

    2016-05-01

    We present a study of the structure and chemical composition of the Cr-doped 3D topological insulator Bi2Se3. Single-crystalline thin films were grown by molecular beam epitaxy on Al2O3 (0001), and their structural and chemical properties determined on an atomic level by aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy. A regular quintuple layer stacking of the Bi2Se3 film is found, with the exception of the first several atomic layers in the initial growth. The spectroscopy data gives direct evidence that Cr is preferentially substituting for Bi in the Bi2Se3 host. We also show that Cr has a tendency to segregate at internal grain boundaries of the Bi2Se3 film.

  14. Chemical process hazards analysis

    SciTech Connect

    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.

  15. Chemical and Thermal Analysis

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

    Thermal decomposition activation energies have been determined using two methods of Thermogravimetric Analysis (TGA), with good correlation being obtained between the two techniques. Initial heating curves indicated a two-component system for Coflon (i.e. polymer plus placticizer) but a single component system for Tefzel. Two widely differing activation energies were for Coflon supported this view, 15 kcl/mol being associated with plasticizer, and 40 kcal/mol with polymer degradation. With Tefzel, values were 40-45 kcal/mol, the former perhaps being associated with a low molecular weight fraction. Appropriate acceleration factors have been determined. Thermomechanical Analysis (TMA) has shown considerable dimensional change during temperature cycles. For unaged pipe sections heating to 100 C and then holding the temperature resulted in a stable thickness increase of 2%, whereas the Coflon thickness decreased continuously, reaching -4% in 2.7 weeks. Previously strained tensile bars of Tefzel expanded on cooling during TMA. SEM performed on H2S-aged Coflon samples showed significant changes in both physical and chemical nature. The first may have resulted from explosive decompression after part of the aging process. Chemically extensive dehydrofluorination was indicated, and sulfur was present as a result of the aging. These observations indicate that chemical attack of PVDF can occur in some circumstances.

  16. Chemical and Thermal Analysis

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

    During the past six months we have conducted significant research in several domains in order to clarify and understanding the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) for pipes. We organized numerous analytical studies with methods including Fourier Transform Infrared Spectroscopy, Dynamic Mechanical Analysis, Differential Scanning Calorimetry, and Stress Relaxation experiments. In addition we have reanalyzed previous thermogravimetric data concerning the rate of deplasticization of Coflon pipe. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We conducted stress relaxation experiments of Coflon pipe at several temperatures and determined an activation energy. We also examined the dynamic mechanical response PVDF during deplasticization and during methanol plasticization. We performed numerous DSC analyses to research the changing crystalline morphology. We have noted significant changes in crystallinity upon aging for both PVDF and Tefzel. Little variation in elemental composition was noted for many of the aged Coflon and Tefzel samples tested.

  17. Chemical Sensing in Process Analysis.

    ERIC Educational Resources Information Center

    Hirschfeld, T.; And Others

    1984-01-01

    Discusses: (1) rationale for chemical sensors in process analysis; (2) existing types of process chemical sensors; (3) sensor limitations, considering lessons of chemometrics; (4) trends in process control sensors; and (5) future prospects. (JN)

  18. PARTICLE GENERATION BY LASER ABLATION IN SUPPORT OF CHEMICAL ANALYSIS OF HIGH LEVEL MIXED WASTE FROM PLUTONIUM PRODUCTION OPERATIONS

    EPA Science Inventory

    Methods for compositional analysis of fissile materials and radioactive/toxic wastes are being developed to support characterization prior to treatment and remediation. The need for rapid, real-time, on site characterization of waste at DOE sites has led to deployment of laser ab...

  19. A natural analogue for high-level waste in tuff: Chemical analysis and modeling of the Valles site

    SciTech Connect

    Stockman, H.W.; Krumhansl, J.L.; Ho, C.K.; Kovach, L.; McConnell, V.S.

    1995-03-01

    The contact between an obsidian flow and a steep-walled tuff canyon was examined as an analogue for a high-level waste repository. The analogue site is located in the Valles Caldera in New Mexico, where a massive obsidian flow filled a paleocanyon in the Battleship Rock Tuff. The obsidian flow provided a heat source, analogous to waste panels or an igneous intrusion in a repository, and caused evaporation and migration of water. The tuff and obsidian samples were analyzed for major and trace elements and mineralogy by INAA, XRF, x-ray diffraction, and scanning electron microscopy and electron microprobe. Samples were also analyzed for D/H and {sup 39}Ar/{sup 40}Ar isotopic composition. Overall, the effects of the heating event seem to have been slight and limited to the tuff nearest the contact. There is some evidence of devitrification and migration of volatiles in the tuff within 10 m of the contact, but variations in major and trace element chemistry are small and difficult to distinguish from the natural (pre-heating) variability of the rocks.

  20. Disentangling Detoxification: Gene Expression Analysis of Feeding Mountain Pine Beetle Illuminates Molecular-Level Host Chemical Defense Detoxification Mechanisms

    PubMed Central

    Robert, Jeanne A.; Pitt, Caitlin; Bonnett, Tiffany R.; Yuen, Macaire M. S.; Keeling, Christopher I.; Bohlmann, Jörg; Huber, Dezene P. W.

    2013-01-01

    The mountain pine beetle, Dendroctonus ponderosae, is a native species of bark beetle (Coleoptera: Curculionidae) that caused unprecedented damage to the pine forests of British Columbia and other parts of western North America and is currently expanding its range into the boreal forests of central and eastern Canada and the USA. We conducted a large-scale gene expression analysis (RNA-seq) of mountain pine beetle male and female adults either starved or fed in male-female pairs for 24 hours on lodgepole pine host tree tissues. Our aim was to uncover transcripts involved in coniferophagous mountain pine beetle detoxification systems during early host colonization. Transcripts of members from several gene families significantly increased in insects fed on host tissue including: cytochromes P450, glucosyl transferases and glutathione S-transferases, esterases, and one ABC transporter. Other significantly increasing transcripts with potential roles in detoxification of host defenses included alcohol dehydrogenases and a group of unexpected transcripts whose products may play an, as yet, undiscovered role in host colonization by mountain pine beetle. PMID:24223726

  1. Level crossing analysis of chemically induced dynamic nuclear polarization: Towards a common description of liquid-state and solid-state cases

    NASA Astrophysics Data System (ADS)

    Sosnovsky, Denis V.; Jeschke, Gunnar; Matysik, Jörg; Vieth, Hans-Martin; Ivanov, Konstantin L.

    2016-04-01

    Chemically Induced Dynamic Nuclear Polarization (CIDNP) is an efficient method of creating non-equilibrium polarization of nuclear spins by using chemical reactions, which have radical pairs as intermediates. The CIDNP effect originates from (i) electron spin-selective recombination of radical pairs and (ii) the dependence of the inter-system crossing rate in radical pairs on the state of magnetic nuclei. The CIDNP effect can be investigated by using Nuclear Magnetic Resonance (NMR) methods. The gain from CIDNP is then two-fold: it allows one to obtain considerable amplification of NMR signals; in addition, it provides a very useful tool for investigating elusive radicals and radical pairs. While the mechanisms of the CIDNP effect in liquids are well established and understood, detailed analysis of solid-state CIDNP mechanisms still remains challenging; likewise a common theoretical frame for the description of CIDNP in both solids and liquids is missing. Difficulties in understanding the spin dynamics that lead to the CIDNP effect in the solid-state case are caused by the anisotropy of spin interactions, which increase the complexity of spin evolution. In this work, we propose to analyze CIDNP in terms of level crossing phenomena, namely, to attribute features in the CIDNP magnetic field dependence to Level Crossings (LCs) and Level Anti-Crossings (LACs) in a radical pair. This approach allows one to describe liquid-state CIDNP; the same holds for the solid-state case where anisotropic interactions play a significant role in CIDNP formation. In solids, features arise predominantly from LACs, since in most cases anisotropic couplings result in perturbations, which turn LCs into LACs. We have interpreted the CIDNP mechanisms in terms of the LC/LAC concept. This consideration allows one to find analytical expressions for a wide magnetic field range, where several different mechanisms are operative; furthermore, the LAC description gives a way to determine CIDNP sign

  2. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2009-01-01

    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. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection 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 simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  3. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2010-01-01

    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. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection 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 simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  4. Chemical substructure analysis in toxicology

    SciTech Connect

    Beauchamp, R.O. Jr.

    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.

  5. Laser Chemical Analysis.

    ERIC Educational Resources Information Center

    Zare, Richard N.

    1984-01-01

    Reviews applications of laser methods to analytical problems, selecting examples from multiphoton ionization and fluorescence analysis. Indicates that laser methodologies promise to improve dramatically the detection of trace substances embedded in "real" matrices, giving the analyst a most powerful means for determining the composition of…

  6. FINAL REPORT. PARTICLE GENERATION BY LASER ABLATION IN SUPPORT OF CHEMICAL ANALYSIS OF HIGH LEVEL MIXED WASTE FROM PLUTONIUM PRODUCTION OPERATIONS

    EPA Science Inventory

    We investigate particles produced by laser irradiation and their analysis by Laser Ablation Inductively Coupled Plasma Mass Spectroscopy (LA/ICP-MS), with a view towards optimizing particle production for analysis of high level waste materials and waste glass. LA/ICP-MS has consi...

  7. Chemically Induced Surface Evolutions with Level Sets

    SciTech Connect

    2006-11-17

    ChISELS is used for the theoretical modeling of detailed surface chemistry and consomitant surface evolutions occurring during microsystem fabrication processes conducted at low pressures. Examples include physical vapor deposition (PVD), low pressure chemical vapor deposition (PECVD), and plasma etching. Evolving interfaces are represented using the level-set method and the evolution equations time integrated using a Semi-Lagrangian approach. A Ballistic transport model is employed to solve for the fluxes incident on each of the surface elements. Surface chemistry leading to etching or deposition is computed by either coupling to Surface Chemkin (a commercially available code) or by providing user defined subroutines. The computational meshes used are quad-trees (2-D) and oct-trees (3-D), constructed such that grid refinement is localized to regions near the surface interfaces. As the interface evolves, the mesh is dynamically reconstructed as needed for the grid to remain fine only around the interface. For parallel computation, a domain decomposition scheme with dynamic load balancing is used to distribute the computational work across processors.

  8. Chemically Induced Surface Evolutions with Level Sets

    Energy Science and Technology Software Center (ESTSC)

    2006-11-17

    ChISELS is used for the theoretical modeling of detailed surface chemistry and consomitant surface evolutions occurring during microsystem fabrication processes conducted at low pressures. Examples include physical vapor deposition (PVD), low pressure chemical vapor deposition (PECVD), and plasma etching. Evolving interfaces are represented using the level-set method and the evolution equations time integrated using a Semi-Lagrangian approach. A Ballistic transport model is employed to solve for the fluxes incident on each of the surface elements.more » Surface chemistry leading to etching or deposition is computed by either coupling to Surface Chemkin (a commercially available code) or by providing user defined subroutines. The computational meshes used are quad-trees (2-D) and oct-trees (3-D), constructed such that grid refinement is localized to regions near the surface interfaces. As the interface evolves, the mesh is dynamically reconstructed as needed for the grid to remain fine only around the interface. For parallel computation, a domain decomposition scheme with dynamic load balancing is used to distribute the computational work across processors.« less

  9. Mapping students' ideas about chemical reactions at different educational levels

    NASA Astrophysics Data System (ADS)

    Yan, Fan

    Understanding chemical reactions is crucial in learning chemistry at all educational levels. Nevertheless, research in science education has revealed that many students struggle to understand chemical processes. Improving teaching and learning about chemical reactions demands that we develop a clearer understanding of student reasoning in this area and of how this reasoning evolves with training in the discipline. Thus, we have carried out a qualitative study using semi-structured interviews as the main data collection tool to explore students reasoning about reaction mechanism and causality. The participants of this study included students at different levels of training in chemistry: general chemistry students (n=22), organic chemistry students (n=16), first year graduate students (n=13) and Ph.D. candidates (n=14). We identified major conceptual modes along critical dimensions of analysis, and illustrated common ways of reasoning using typical cases. Main findings indicate that although significant progress is observed in student reasoning in some areas, major conceptual difficulties seem to persist even at the more advanced educational levels. In addition, our findings suggest that students struggle to integrate important concepts when thinking about mechanism and causality in chemical reactions. The results of our study are relevant to chemistry educators interested in learning progressions, assessment, and conceptual development.

  10. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

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

    2013-01-01

    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. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection 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.

  11. 33 CFR 159.65 - Chemical level indicator.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 33 Navigation and Navigable Waters 2 2014-07-01 2014-07-01 false Chemical level indicator. 159.65...) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.65 Chemical level indicator. The... any chemical that is necessary for its effective operation. (b) A means of indicating when...

  12. 33 CFR 159.65 - Chemical level indicator.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 33 Navigation and Navigable Waters 2 2013-07-01 2013-07-01 false Chemical level indicator. 159.65...) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.65 Chemical level indicator. The... any chemical that is necessary for its effective operation. (b) A means of indicating when...

  13. 33 CFR 159.65 - Chemical level indicator.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 33 Navigation and Navigable Waters 2 2012-07-01 2012-07-01 false Chemical level indicator. 159.65...) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.65 Chemical level indicator. The... any chemical that is necessary for its effective operation. (b) A means of indicating when...

  14. Chemical Analysis of Single Cells

    NASA Astrophysics Data System (ADS)

    Borland, Laura M.; Kottegoda, Sumith; Phillips, K. Scott; Allbritton, Nancy L.

    2008-07-01

    Chemical analysis of single cells requires methods for quickly and quantitatively detecting a diverse array of analytes from extremely small volumes (femtoliters to nanoliters) with very high sensitivity and selectivity. Microelectrophoretic separations, using both traditional capillary electrophoresis and emerging microfluidic methods, are well suited for handling the unique size of single cells and limited numbers of intracellular molecules. Numerous analytes, ranging from small molecules such as amino acids and neurotransmitters to large proteins and subcellular organelles, have been quantified in single cells using microelectrophoretic separation techniques. Microseparation techniques, coupled to varying detection schemes including absorbance and fluorescence detection, electrochemical detection, and mass spectrometry, have allowed researchers to examine a number of processes inside single cells. This review also touches on a promising direction in single cell cytometry: the development of microfluidics for integrated cellular manipulation, chemical processing, and separation of cellular contents.

  15. Derived no-effect levels (DNELs) under the European chemicals regulation REACH--an analysis of long-term inhalation worker-DNELs presented by industry.

    PubMed

    Schenk, Linda; Deng, Uriell; Johanson, Gunnar

    2015-05-01

    The European REACH regulation places responsibility for providing safety information, including derived no-effect levels (DNELs), on chemicals and chemical products on 'industry', i.e. manufacturers and importers. We compared long-term inhalation worker-DNELs (wDNELs) presented by industry with the corresponding Swedish occupational exposure limits (OELs), and for a subset, with wDNELs derived by us. Our wDNELs were derived using toxicological evaluations published by the Swedish Criteria Group and our interpretation of the REACH Guidance. On average, industry's wDNELs were the same as the Swedish OELs (median of wDNEL-OEL ratios: 0.98, n = 235). However, the variation was huge, the extremes being up to 450 times higher, and up to 230 times lower than the corresponding OEL. Nearly one-fifth of the wDNELs were ≥2 times higher and one-third ≥2 times lower than the OEL. No time trend was seen in the wDNEL/OEL ratios, suggesting that older OELs were not systematically higher than the more recent ones. Industry's wDNELs varied widely and were generally higher (median 4.2 times, up to 435 times higher, down to 13 times lower, n = 23) also compared to our wDNELs. Only five industry wDNELs were equal to or lower than ours. The choices of key studies, dose descriptors, and assessment factors all seemed to contribute to the discrepancies. We conclude that although the REACH guidance is detailed, many choices that will influence the wDNEL lack firm instructions. A major problem is that little advice is given on when and how to depart from default assessment factors. PMID:25471229

  16. 33 CFR 159.65 - Chemical level indicator.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false Chemical level indicator. 159.65 Section 159.65 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.65 Chemical level indicator. The device must be equipped with one...

  17. 33 CFR 159.65 - Chemical level indicator.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Chemical level indicator. 159.65 Section 159.65 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.65 Chemical level indicator. The device must be equipped with one...

  18. Accident analysis of railway transportation of low-level radioactive and hazardous chemical wastes: Application of the /open quotes/Maximum Credible Accident/close quotes/ concept

    SciTech Connect

    Ricci, E.; McLean, R.B.

    1988-09-01

    The maximum credible accident (MCA) approach to accident analysis places an upper bound on the potential adverse effects of a proposed action by using conservative but simplifying assumptions. It is often used when data are lacking to support a more realistic scenario or when MCA calculations result in acceptable consequences. The MCA approach can also be combined with realistic scenarios to assess potential adverse effects. This report presents a guide for the preparation of transportation accident analyses based on the use of the MCA concept. Rail transportation of contaminated wastes is used as an example. The example is the analysis of the environmental impact of the potential derailment of a train transporting a large shipment of wastes. The shipment is assumed to be contaminated with polychlorinated biphenyls and low-level radioactivities of uranium and technetium. The train is assumed to plunge into a river used as a source of drinking water. The conclusions from the example accident analysis are based on the calculation of the number of foreseeable premature cancer deaths the might result as a consequence of this accident. These calculations are presented, and the reference material forming the basis for all assumptions and calculations is also provided.

  19. Chemical Analysis Of Beryllium Shells

    SciTech Connect

    Gunther, J; Cook, R

    2005-11-17

    There is a need to understand the level of high-Z impurities in Beryllium shells prepared by sputter coating. The Ignition Point Design Requirements state the following: ''Except for allowed ingredients, as listed in the ablator composition entries, the ablator material in all layers shall contain sufficiently low impurity levels that the sum over all impurities of atom fraction*Z{sup 2} shall be less than or equal to 0.2''. This is a tight specification that requires careful materials analysis. Early in the first quarter of FY06, we undertook a study of Be shell impurities via ICP-MS{sup 2} and determined that the impurity levels in the sputtered shells are very close to the specification.

  20. Gas Phase Chemical Detection with an Integrated Chemical Analysis System

    SciTech Connect

    Baca, Albert G.; Casalnuovo, Stephen A.; Frye-Mason, Gregory C.; Heller, Edwin J.; Hietala, Susan L.; Hietala, Vincent M.; Kottenstette, Richard J.; Lewis, Patrick R.; Manginell, Ronald P.; Matzke, Carloyn M.; Reno, John L.; Sasaki, Darryl Y.; Schubert, W. Kent

    1999-07-08

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample concentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described. The design and performance of novel micromachined acoustic wave devices, with the potential for improved chemical sensitivity, are also described.

  1. The levels of analysis revisited.

    PubMed

    MacDougall-Shackleton, Scott A

    2011-07-27

    The term levels of analysis has been used in several ways: to distinguish between ultimate and proximate levels, to categorize different kinds of research questions and to differentiate levels of reductionism. Because questions regarding ultimate function and proximate mechanisms are logically distinct, I suggest that distinguishing between these two levels is the best use of the term. Integrating across levels in research has potential risks, but many benefits. Consideration at one level can help generate novel hypotheses at the other, define categories of behaviour and set criteria that must be addressed. Taking an adaptationist stance thus strengthens research on proximate mechanisms. Similarly, it is critical for researchers studying adaptation and function to have detailed knowledge of proximate mechanisms that may constrain or modulate evolutionary processes. Despite the benefits of integrating across ultimate and proximate levels, failure to clearly identify levels of analysis, and whether or not hypotheses are exclusive alternatives, can create false debates. Such non-alternative hypotheses may occur between or within levels, and are not limited to integrative approaches. In this review, I survey different uses of the term levels of analysis and the benefits of integration, and highlight examples of false debate within and between levels. The best integrative biology reciprocally uses ultimate and proximate hypotheses to generate a more complete understanding of behaviour. PMID:21690126

  2. Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis.

    PubMed

    Nguyen, Thanh Lam; Lee, Hyunwoo; Matthews, Devin A; McCarthy, Michael C; Stanton, John F

    2015-06-01

    The fraction of the collisionally stabilized Criegee species CH2OO produced from the ozonolysis of ethylene is calculated using a two-dimensional (E, J)-grained master equation technique and semiclassical transition-state theory based on the potential energy surface obtained from high-accuracy quantum chemical calculations. Our calculated yield of 42 ± 6% for the stabilized CH2OO agrees well, within experimental error, with available (indirect) experimental results. Inclusion of angular momentum in the master equation is found to play an essential role in bringing the theoretical results into agreement with the experiment. Additionally, yields of HO and HO2 radical products are predicted to be 13 ± 6% and 17 ± 6%, respectively. In the kinetic simulation, the HO radical product is produced mostly from the stepwise decomposition mechanism of primary ozonide rather than from dissociation of hot CH2OO. PMID:25945650

  3. Chemical digestion of low level nuclear solid waste material

    DOEpatents

    Cooley, Carl R.; Lerch, Ronald E.

    1976-01-01

    A chemical digestion for treatment of low level combustible nuclear solid waste material is provided and comprises reacting the solid waste material with concentrated sulfuric acid at a temperature within the range of 230.degree.-300.degree.C and simultaneously and/or thereafter contacting the reacting mixture with concentrated nitric acid or nitrogen dioxide. In a special embodiment spent ion exchange resins are converted by this chemical digestion to noncombustible gases and a low volume noncombustible residue.

  4. Space elevator systems level analysis

    SciTech Connect

    Laubscher, B. E.

    2004-01-01

    The Space Elevator (SE) represents a major paradigm shift in space access. It involves new, untried technologies in most of its subsystems. Thus the successful construction of the SE requires a significant amount of development, This in turn implies a high level of risk for the SE. This paper will present a systems level analysis of the SE by subdividing its components into their subsystems to determine their level of technological maturity. such a high-risk endeavor is to follow a disciplined approach to the challenges. A systems level analysis informs this process and is the guide to where resources should be applied in the development processes. It is an efficient path that, if followed, minimizes the overall risk of the system's development. systems level analysis is that the overall system is divided naturally into its subsystems, and those subsystems are further subdivided as appropriate for the analysis. By dealing with the complex system in layers, the parameter space of decisions is kept manageable. Moreover, A rational way to manage One key aspect of a resources are not expended capriciously; rather, resources are put toward the biggest challenges and most promising solutions. This overall graded approach is a proven road to success. The analysis includes topics such as nanotube technology, deployment scenario, power beaming technology, ground-based hardware and operations, ribbon maintenance and repair and climber technology.

  5. SALI chemical analysis of provided samples

    NASA Technical Reports Server (NTRS)

    Becker, Christopher H.

    1993-01-01

    SRI has completed the chemical analysis of all the samples supplied by NASA. The final batch of four samples consisted of: one inch diameter MgF2 mirror, control 1200-ID-FL3; one inch diameter neat resin, PMR-15, AO171-IV-55, half exposed and half unexposed; one inch diameter chromic acid anodized, EOIM-3 120-47 aluminum disc; and AO-exposed and unexposed samples of fullerene extract material in powdered form, pressed into In foil for analysis. Chemical analyses of the surfaces were performed by the surface analysis by laser ionization (SALI) method. The analyses emphasize surface contamination or general organic composition. SALI uses nonselective photoionization of sputtered or desorbed atoms and molecules above but close (approximately one mm) to the surface, followed by time-of-flight (TOF) mass spectrometry. In these studies, we used laser-induced desorption by 5-ns pulse-width 355-nm light (10-100 mJ/sq cm) and single-photon ionization (SPI) by coherent 118-nm radiation (at approximately 5 x 10(exp 5) W/sq cm). SPI was chosen primarily for its ability to obtain molecular information, whereas multiphoton ionization (not used in the present studies) is intended primarily for elemental and small molecule information. In addition to these four samples, the Au mirror (EOIM-3 200-11, sample four) was depth profiled again. Argon ion sputtering was used together with photoionization with intense 355-nm radiation (35-ps pulsewidths). Depth profiles are similar to those reported earlier, showing reproducibility. No chromium was found in the sample above noise level; its presence could at most be at the trace level. Somewhat more Ni appears to be present in the Au layer in the unexposed side, indicating thermal diffusion without chemical enhancement. The result of the presence of oxygen is apparently to tie-up/draw out the Ni as an oxide at the surface. The exposed region has a brownish tint appearance to the naked eye.

  6. Nature and Analysis of Chemical Species.

    ERIC Educational Resources Information Center

    Shuman, Mark S.; Fogleman, Wavell W.

    1978-01-01

    Presents a literature review of the nature and analysis of chemical species in water, covering publications of 1976-77. This review is concerned with inorganics, and it covers: (1) electrochemical analysis; (2) spectroscopy; (3) neutron activation, radiochemical analysis, and isotope dilution. A list of 262 references is also presented. (HM)

  7. Chemical Literacy Levels of Science and Mathematics Teacher Candidates

    ERIC Educational Resources Information Center

    Celik, Suat

    2014-01-01

    The goal of this study was to investigate Turkish science and mathematics teacher candidates' levels of attainment in chemical literacy. These candidates had all studied the new Turkish chemistry curriculum in high school. The sample of the study consisted of 112 students, who were first-year students in the Department of Secondary Science…

  8. New Laboratory Course for Senior-Level Chemical Engineering Students

    ERIC Educational Resources Information Center

    Aronson, Mark T.; Deitcher, Robert W.; Xi, Yuanzhou; Davis, Robert J.

    2009-01-01

    A new laboratory course has been developed at the University of Virginia for senior- level chemical engineering students. The new course is based on three 4-week long experiments in bioprocess engineering, energy conversion and catalysis, and polymer synthesis and characterization. The emphasis is on the integration of process steps and the…

  9. Sample processor for chemical analysis

    NASA Technical Reports Server (NTRS)

    Boettger, Heinz G. (Inventor)

    1980-01-01

    An apparatus is provided which can process numerous samples that must be chemically analyzed by the application of fluids such as liquid reagents, solvents and purge gases, as well as the application of dumps for receiving the applied fluid after they pass across the sample, in a manner that permits numerous samples to be processed in a relatively short time and with minimal manpower. The processor includes a rotor which can hold numerous cartridges containing inert or adsorbent material for holding samples, and a pair of stators on opposite sides of the rotor. The stators form stations spaced along the path of the cartridges which lie in the rotor, and each station can include an aperture in one stator through which a fluid can be applied to a cartridge resting at that station, and an aperture in the other stator which can receive the fluid which has passed through the cartridge. The stators are sealed to the ends of the cartridges lying on the rotor, to thereby isolate the stations from one another.

  10. Exposure levels for chemical threat compounds: information to facilitate chemical incident response.

    PubMed

    Hauschild, Veronique D; Watson, Annetta

    2013-01-01

    Although not widely known, a robust set of peer-reviewed public health and occupational exposure levels presently exist for key chemical warfare agents (CWAs) and certain acutely toxic industrial chemicals (TICs) identified as terrorist attack threats. Familiarity with these CWA and TIC exposure levels and their historic applications has facilitated emergency management decision-making by public and environmental health decision-makers. Specifically, multiple air, soil, and water exposure levels for CWAs and TICs summarized here have been extensively peer-reviewed and published; many have been recognized and are in use by federal and state health agencies as criteria for hazard zone prediction and assessment, occupational safety, and "how clean is clean enough" decisions. The key, however, is to know which criteria are most appropriate for specific decisions. While public safety is critical, high levels of concern often associated with perceived or actual proximity to extremely toxic chemical agents could result in overly cautious decisions that generate excessive delays, expenditure of scarce resources, and technological difficulties. Rapid selection of the most appropriate chemical exposure criteria is recommended to avoid such problems and expedite all phases of chemical incident response and recovery. PMID:24340456

  11. 40 CFR 761.253 - Chemical analysis.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... analysis. (a) Extract PCBs from the standard wipe sample collection medium and clean-up the extracted...

  12. 40 CFR 761.253 - Chemical analysis.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... analysis. (a) Extract PCBs from the standard wipe sample collection medium and clean-up the extracted...

  13. Doping level influence on chemical surface of diamond electrodes

    NASA Astrophysics Data System (ADS)

    Azevedo, A. F.; Baldan, M. R.; Ferreira, N. G.

    2013-04-01

    The modification of surface bond termination promoted by the doping level on diamond electrodes is analyzed. The films were prepared by hot filament chemical vapor deposition technique using the standard mixture of H2/CH4 with an extra H2 flux passing through a bubbler containing different concentrations of B2O3 dissolved in methanol. Diamond morphology and quality were characterized by scanning electron microscopy and Raman scattering spectroscopy techniques while the changes in film surfaces were analyzed by contact angle, cyclic voltammetry and synchrotron X-ray photoelectron spectroscopy (XPS). The boron-doped diamond (BDD) films hydrophobicity, reversibility, and work potential window characteristics were related to their physical properties and chemical surface, as a function of the doping level. From the Mott-Schottky plots (MSP) and XPS analyzes, for the lightly (1018 cm-3) and highly (1020 cm-3) BDD films, the relationship between the BDD electrochemical responses and their surface bond terminations is discussed.

  14. In-Situ Planetary Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Kounaves, S. P.; Buehler, M. G.; Grannan, S. M.; Hecht, M. H.; Kuhlman, K. R.

    2000-01-01

    Both, the search for evidence of life on Mars and the assessment of the Martian environment in respect to its compatibility with human explorers, will require the ability to measure and understand the aqueous chemistry of the Martian regolith. Direct in-situ chemical analysis is the only method by which chemical biosignatures can be reliably recognized and the toxicity of the regolith accurately assessed. Qualitative and quantitative determination of the aqueous ionic constituents and their concentrations is critical in developing kinetic and thermodynamic models that can be used to accurately predict the potential of the past or present Martian geochemical environment to have either generated or still sustain life. In-situ chemical characterization could provide evidence as to whether the chemical composition of the regolith or evaporates in suspected ancient water bodies have been biologically influenced.

  15. Probabilistic Exposure Analysis for Chemical Risk Characterization

    PubMed Central

    Bogen, Kenneth T.; Cullen, Alison C.; Frey, H. Christopher; Price, Paul S.

    2009-01-01

    This paper summarizes the state of the science of probabilistic exposure assessment (PEA) as applied to chemical risk characterization. Current probabilistic risk analysis methods applied to PEA are reviewed. PEA within the context of risk-based decision making is discussed, including probabilistic treatment of related uncertainty, interindividual heterogeneity, and other sources of variability. Key examples of recent experience gained in assessing human exposures to chemicals in the environment, and other applications to chemical risk characterization and assessment, are presented. It is concluded that, although improvements continue to be made, existing methods suffice for effective application of PEA to support quantitative analyses of the risk of chemically induced toxicity that play an increasing role in key decision-making objectives involving health protection, triage, civil justice, and criminal justice. Different types of information required to apply PEA to these different decision contexts are identified, and specific PEA methods are highlighted that are best suited to exposure assessment in these separate contexts. PMID:19223660

  16. 40 CFR 761.253 - Chemical analysis.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.253...

  17. 40 CFR 761.253 - Chemical analysis.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.253...

  18. 40 CFR 761.253 - Chemical analysis.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.253...

  19. Chemical analysis of some standard carbonate rocks

    USGS Publications Warehouse

    Galle, O.K.

    1969-01-01

    Twenty limestone, dolomite and limestone-dolomite blends were analyzed. The samples, which are available from the G. Fredrick Smith Chemical Company of Columbus, Ohio, were issued with an analysis certificate listing values for SiO2, Fe2O3, CaO and MgO. Additional analyses are reported and results compared with certificate values. ?? 1969.

  20. System for chemically digesting low level radioactive, solid waste material

    DOEpatents

    Cowan, Richard G.; Blasewitz, Albert G.

    1982-01-01

    An improved method and system for chemically digesting low level radioactive, solid waste material having a high through-put. The solid waste material is added to an annular vessel (10) substantially filled with concentrated sulfuric acid. Concentrated nitric acid or nitrogen dioxide is added to the sulfuric acid within the annular vessel while the sulfuric acid is reacting with the solid waste. The solid waste is mixed within the sulfuric acid so that the solid waste is substantilly fully immersed during the reaction. The off gas from the reaction and the products slurry residue is removed from the vessel during the reaction.

  1. Electron spectroscopy for chemical analysis: Sample analysis

    NASA Technical Reports Server (NTRS)

    Carter, W. B.

    1989-01-01

    Exposure conditions in atomic oxygen (ESCA) was performed on an SSL-100/206 Small Spot Spectrometer. All data were taken with the use of a low voltage electron flood gun and a charge neutralization screen to minimize charging effects on the data. The X-ray spot size and electron flood gun voltage used are recorded on the individual spectra as are the instrumental resolutions. Two types of spectra were obtained for each specimen: (1) general surveys, and (2) high resolution spectra. The two types of data reduction performed are: (1) semiquantitative compositional analysis, and (2) peak fitting. The materials analyzed are: (1) kapton 4, 5, and 6, (2) HDPE 19, 20, and 21, and (3) PVDF 4, 5, and 6.

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

    ERIC Educational Resources Information Center

    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)

  3. Low level exposure to chemicals and immune system

    SciTech Connect

    Colosio, C. . E-mail: claudio.colosio@icps.it; Birindelli, S.; Corsini, E.; Galli, C.L.; Maroni, M.

    2005-09-01

    Industrialized countries are facing an increase of diseases attributable to an alteration of the immune system function, and concern is growing that this trend could be at least partially attributable to new and modified patterns of exposure to chemicals. Among chemicals matter of concern, pesticides can be included. The Authors have reviewed the existing evidence of pesticide immunotoxicity in humans, showing that existing data are inadequate to raise conclusions on the immunotoxic risk related to these compounds. The limits of existing studies are: poor knowledge on exposure levels, heterogeneity of the approach, and difficulty in giving a prognostic significance to the slight changes often observed. To overcome these limits, the Authors have proposed a tier approach, based on three steps: the first, addressed at pointing out a possible immunomodulation; the second, at refining the results and the third one, when needed, to finalize the study and to point out concordance with previous results. Studies should preferably be carried out through comparison of pre- and post-exposure findings in the same groups of subjects to be examined immediately after the end of the exposure. A simplification of the first step approach can be used by the occupational health physician and the occupational toxicologist. Conclusions on the prognostic significance of the slight changes often observed will be reached only by validating the hypothesis generated by field studies with an epidemiological approach. In this field, the most useful option is represented by longitudinal perspective studies.

  4. Updated Chemical Kinetics and Sensitivity Analysis Code

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan

    2005-01-01

    An updated version of the General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code has become available. A prior version of LSENS was described in "Program Helps to Determine Chemical-Reaction Mechanisms" (LEW-15758), NASA Tech Briefs, Vol. 19, No. 5 (May 1995), page 66. To recapitulate: LSENS solves complex, homogeneous, gas-phase, chemical-kinetics problems (e.g., combustion of fuels) that are represented by sets of many coupled, nonlinear, first-order ordinary differential equations. LSENS has been designed for flexibility, convenience, and computational efficiency. The present version of LSENS incorporates mathematical models for (1) a static system; (2) steady, one-dimensional inviscid flow; (3) reaction behind an incident shock wave, including boundary layer correction; (4) a perfectly stirred reactor; and (5) a perfectly stirred reactor followed by a plug-flow reactor. In addition, LSENS can compute equilibrium properties for the following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static and one-dimensional-flow problems, including those behind an incident shock wave and following a perfectly stirred reactor calculation, LSENS can compute sensitivity coefficients of dependent variables and their derivatives, with respect to the initial values of dependent variables and/or the rate-coefficient parameters of the chemical reactions.

  5. Improving Molecular Level Chemical Speciation of Organic Aerosols

    NASA Astrophysics Data System (ADS)

    Worton, D. R.; Decker, M.; Isaacman, G. A.; Chan, A.; Wilson, K. R.; Goldstein, A. H.

    2013-12-01

    from the high resolution VUV analysis we characterized the observed peaks into those that were: (i) confidently identified by EI and confirmed by VUV (154 compounds), (ii) not matched by EI but assigned molecular formulas from VUV (230), (iii) EI matched but not confirmed by VUV (32), and (iv) not matched by EI and no molecular formula obtained from VUV (92). By combining the molecular formula information with both gas chromatography retention information and the EI mass fragmentation patterns it is possible to characterize previously unidentified compounds in chemically relevant functional group classes. Temporal patterns of all these tracers together provide a new and more complete lens through which to study SOA formation and transformation processes than has previously been possible.

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

    EPA Science Inventory

    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...

  7. Synthesis and analysis in chemical evolution.

    NASA Astrophysics Data System (ADS)

    Ponnamperuma, C.

    In the first part the author examines the synthesis of the fundamental complex molecules of life (aminoacids and their polymerization to proteins, lipids, sugars, purines and pyrimidines, and nucleic acids) from simple molecules (H2O, CH4, NH3, HCN, CO2, etc.) under a variety of natural and laboratory conditions and sources of energy. In the second part the author examines the analysis of the data that confirm the early appearance of life on Earth and the presence of complex organic compounds in a variety of environments (carbonaceous chondritic meteorites, the atmospheres of Jupiter and Titan, interstellar space, etc.). All these results confirm the universal effectiveness of chemical evolution.

  8. Stochastic flux analysis of chemical reaction networks

    PubMed Central

    2013-01-01

    Background 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. Results 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. Conclusions 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. PMID:24314153

  9. USEPA EXAMPLE EXIT LEVEL ANALYSIS RESULTS

    EPA Science Inventory

    Developed by NERL/ERD for the Office of Solid Waste, the enclosed product provides an example uncertainty analysis (UA) and initial process-based sensitivity analysis (SA) of hazardous waste "exit" concentrations for 7 chemicals and metals using the 3MRA Version 1.0 Modeling Syst...

  10. 21 CFR 880.6885 - Liquid chemical sterilants/high level disinfectants.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Liquid chemical sterilants/high level... and Personal Use Miscellaneous Devices § 880.6885 Liquid chemical sterilants/high level disinfectants. (a) Identification. A liquid chemical sterilant/high level disinfectant is a germicide that...

  11. 21 CFR 880.6885 - Liquid chemical sterilants/high level disinfectants.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Liquid chemical sterilants/high level... and Personal Use Miscellaneous Devices § 880.6885 Liquid chemical sterilants/high level disinfectants. (a) Identification. A liquid chemical sterilant/high level disinfectant is a germicide that...

  12. 21 CFR 880.6885 - Liquid chemical sterilants/high level disinfectants.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Liquid chemical sterilants/high level... and Personal Use Miscellaneous Devices § 880.6885 Liquid chemical sterilants/high level disinfectants. (a) Identification. A liquid chemical sterilant/high level disinfectant is a germicide that...

  13. 21 CFR 880.6885 - Liquid chemical sterilants/high level disinfectants.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Liquid chemical sterilants/high level... and Personal Use Miscellaneous Devices § 880.6885 Liquid chemical sterilants/high level disinfectants. (a) Identification. A liquid chemical sterilant/high level disinfectant is a germicide that...

  14. 21 CFR 880.6885 - Liquid chemical sterilants/high level disinfectants.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Liquid chemical sterilants/high level... and Personal Use Miscellaneous Devices § 880.6885 Liquid chemical sterilants/high level disinfectants. (a) Identification. A liquid chemical sterilant/high level disinfectant is a germicide that...

  15. Application of ultrasonics to chemical analysis

    SciTech Connect

    Chmilenko, F.A.; Baklanov, A.N.; Sidorova, L.P.; Piskun, Yu.M.

    1994-06-01

    Ultrasonics has found a wide utility in chemistry, making available energy densities of the order of 10{sup 3} to 10{sup 6} W/cm{sup 3}, which is 3-5 orders of magnitude greater than the energy densities used in some physical methods like radiolysis and photolysis. The paper overviews several techniques of ultrasound to chemical analysis with the greatest effect obtained by using a wide range of ultrasound frequencies. The methods described include: using different ultrasound properties like velocity of propagation, decay rate, acoustic resistance, and relaxational absorption as analytical signals; the use of sonoluminescence; applications for oxidation, coagulating, and dispersion by ultrasound methods; use of ultrasound for sample preparation; and the use of ultrasound for widening the scope of the atomic spectroscopy and electrochemcial methods of analysis.

  16. Interlaboratory comparison of chemical analysis of uranium mononitride

    NASA Technical Reports Server (NTRS)

    Merkle, E. J.; Davis, W. F.; Halloran, J. T.; Graab, J. W.

    1974-01-01

    Analytical methods were established in which the critical variables were controlled, with the result that acceptable interlaboratory agreement was demonstrated for the chemical analysis of uranium mononitride. This was accomplished by using equipment readily available to laboratories performing metallurgical analyses. Agreement among three laboratories was shown to be very good for uranium and nitrogen. Interlaboratory precision of + or - 0.04 percent was achieved for both of these elements. Oxygen was determined to + or - 15 parts per million (ppm) at the 170-ppm level. The carbon determination gave an interlaboratory precision of + or - 46 ppm at the 320-ppm level.

  17. Selenium metabolite levels in human urine after dosing selenium in different chemical forms

    SciTech Connect

    Hasunuma, Ryoichi; Tsuda, Morizo; Ogawa, Tadao; Kawanishi, Yasuhiro

    1993-11-01

    It has been well known that selenium in marine fish such as tuna and swordfish protects the toxicity of methylmercury in vivo. The protective potency might depend on the chemical forms of selenium in the meat of marine fish sebastes and sperm whale. Little has been revealed, however, on the chemical forms of selenium in the meat of these animals or the selenium metabolites in urine, because the amount of the element is very scarce. Urine is the major excretory route for selenium. The chemical forms of urinary selenium may reflect the metabolism of the element. We have developed methodology for analysis of selenium-containing components in human urine. Using this method, we have observed the time courses of excretory levels of urinary selenium components after a single dose of selenium as selenious acid, selenomethionine, trimethylselenonium ion or tuna meat. 14 refs., 6 figs., 1 tab.

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

    SciTech Connect

    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.

  19. Chemical analysis of LARC-160 polyimide

    NASA Technical Reports Server (NTRS)

    Dynes, P. J.

    1980-01-01

    As part of a detailed NASA-sponsored study of chemical composition/property sensitivity of the LARC-160 polymerization of monomeric reactants (PMR) polyimide system, a number of liquid chromatographic techniques have been employed. The ester monomers in this system are characterized by a reverse-phase ion-suppression method. Mono, di, and triesters of the 3,3',4,4'-benzophenonetetracarboxylic acid ingredient are identified and their isomeric forms resolved. The 5-norbornene-2,3-dicarboxylic acid ester (nadic ester) endcapper is detected by low wavelength ultraviolet sensing. A second method, reverse-phase ion-pair chromatography, is employed for determining unreacted amines. The extent of resin B-staging is monitored through analysis of the ester/amine oligomers.

  20. Advanced development in chemical analysis of Cordyceps.

    PubMed

    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. PMID:23688494

  1. Chemical resistance of optical plastics and resin for level detectors

    NASA Astrophysics Data System (ADS)

    Omegna, Cicero L.; Fontes Garcia, Jonas; Ramos-Gonzáles, Roddy E.; Barbosa, Luiz C.

    2015-09-01

    A test method was developed to find the ideal optical material that supports the chemical reaction of some fuels. Optical plastics and resin were submerged for long periods of time in reservoirs of ethanol, gasoline, Diesel and biodiesel. The dimensional change and weight change of the submerged samples was measured. A special resin successfully supported the chemical attack of fuels. Samples of acrylic polymer and polycarbonate were used as type of optical plastic.

  2. Levels of Analysis in Higher Education Research

    ERIC Educational Resources Information Center

    Tight, Malcolm

    2012-01-01

    This article examines the levels of analysis adopted in higher education research, using a database of 567 articles published in 15 leading higher education journals internationally during 2010. Level of analysis is a relatively overlooked issue in this field of research, when compared with methodology, theory and/or topic--to which it is, of…

  3. Exposure Levels for Chemical Threat Compounds; Information to Facilitate Chemical Incident Response

    SciTech Connect

    Hauschild, Veronique; Watson, Annetta Paule

    2013-01-01

    Exposure Standards, Limits and Guidelines for Chemical Threat Compunds ABSTRACT Exposure criteria for chemical warfare (CW) agents and certain toxic industrial chemicals (TICs) used as CW agents (such as chlorine fill in an improvised explosive device) have been developed for protection of the civilian general public, civilian employees in chemical agent processing facilities and deployed military populations. In addition, compound-specific concentrations have been developed to serve as how clean is clean enough clearance criteria guiding facility recovery following chemical terrorist or other hazardous release events. Such criteria are also useful to verify compound absence, identify containment boundaries and expedite facility recovery following chemical threat release. There is no single right value or concentration appropriate for all chemical hazard control applications. It is acknowledged that locating and comparing the many sources of CW agent and TIC exposure criteria has not been previously well-defined. This paper summarizes many of these estimates and assembles critical documentation regarding their derivation and use.

  4. Biological marker of furfural, chemicals without administrative control level.

    PubMed

    Morimoto, Yasuo; Hori, Hajime; Higashi, Toshiaki; Nagatomo, Hiroko; Hino, Yoshiyuki; Ohsato, Atsushi; Uchino, Bungo

    2007-06-01

    Furfural, a colorless liquid used in solvent-extraction processes, petroleum refining and as a rubber additive, has been assigned an occupational exposure limit of 2.5 ppm by the Japan Society for Occupational Health, but an administrative control level for furfural has not been established. In order to conduct effective occupational health management in workplaces where furfural is used, we measured furfural concentrations in working environments and collected urine samples to measure furoic acid levels (one of the principal metabolites), which act as a biomarker of exposure to furfural. The measurements of airborne concentrations in a working environment where furfural or a solution containing furfural was handled were made in 2004. Workers answered a questionnaire on working conditions, urine samples were collected at the end of the workshift, and furoic acid in the urine was measured by gas chromatography/flame ionization detector (GC/FID). The ambient concentrations of furfural during the period were 2.1 ppm in a mixer room and 1.6 ppm in a filling room. The mean concentrations of furoic acid in the workers' urine were 7.7 +/- 7.8 mg/g-creatinine in summer and winter, respectively (normal range: 3 - 60 mg/g-creatinine). The average exposure to furfural per month calculated by multiplying the concentration in the working environment by working hours for a month was 86.4 +/- 108.6 ppm hours/months (mean +/- standard deviation) (range; 0 - 336 ppm hours/month). The relationship between average exposure to furfural and furoic acid in the urine was analyzed by simple linear regression analysis and a positive correlation was found. These findings suggest that furoic acid in urine is useful for biological monitoring of exposure to furfural, and that the measurement of both furfural in the environment and furoic acid in the urine are beneficial in occupational health management of furfural. PMID:17582986

  5. Representational Competence in Chemistry: A Comparison between Students with Different Levels of Understanding of Basic Chemical Concepts and Chemical Representations

    ERIC Educational Resources Information Center

    Sim, Joong Hiong; Daniel, Esther Gnanamalar Sarojini

    2014-01-01

    Representational competence is defined as "skills in interpreting and using representations". This study attempted to compare students' of high, medium, and low levels of understanding of (1) basic chemical concepts, and (2) chemical representations, in their representational competence. A total of 411 Form 4 science students (mean age =…

  6. Chemical abundance analysis of 19 barium stars

    NASA Astrophysics Data System (ADS)

    Yang, Guo-Chao; Liang, Yan-Chun; Spite, Monique; Chen, Yu-Qin; Zhao, Gang; Zhang, Bo; Liu, Guo-Qing; Liu, Yu-Juan; Liu, Nian; Deng, Li-Cai; Spite, Francois; Hill, Vanessa; Zhang, Cai-Xia

    2016-01-01

    We aim at deriving accurate atmospheric parameters and chemical abundances of 19 barium (Ba) stars, including both strong and mild Ba stars, based on the high signal-to-noise ratio and high resolution Echelle spectra obtained from the 2.16 m telescope at Xinglong station of National Astronomical Observatories, Chinese Academy of Sciences. The chemical abundances of the sample stars were obtained from an LTE, plane-parallel and line-blanketed atmospheric model by inputting the atmospheric parameters (effective temperatures Teff, surface gravities log g, metallicity [Fe/H] and microturbulence velocity ξt) and equivalent widths of stellar absorption lines. These samples of Ba stars are giants as indicated by atmospheric parameters, metallicities and kinematic analysis about UVW velocity. Chemical abundances of 17 elements were obtained for these Ba stars. Their Na, Al, α- and iron-peak elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Ni) are similar to the solar abundances. Our samples of Ba stars show obvious overabundances of neutron-capture (n-capture) process elements relative to the Sun. Their median abundances of [Ba/Fe], [La/Fe] and [Eu/Fe] are 0.54, 0.65 and 0.40, respectively. The Y I and Zr I abundances are lower than Ba, La and Eu, but higher than the α- and iron-peak elements for the strong Ba stars and similar to the iron-peak elements for the mild stars. There exists a positive correlation between Ba intensity and [Ba/Fe]. For the n-capture elements (Y, Zr, Ba, La), there is an anti-correlation between their [X/Fe] and [Fe/H]. We identify nine of our sample stars as strong Ba stars with [Ba/Fe] >0.6 where seven of them have Ba intensity Ba=2-5, one has Ba=1.5 and another one has Ba=1.0. The remaining ten stars are classified as mild Ba stars with 0.17<[Ba/Fe] <0.54.

  7. Collection and chemical analysis of lichens for biomonitoring. Book chapter

    SciTech Connect

    Jackson, L.L.; Ford, J.; Schwartzman, D.

    1991-01-01

    The chapter discusses the interrelated aspects of biomonitoring using chemical analysis of lichens. Many unique aspects of study objectives, study design (including design tasks, considerations, and sampling schemes), sample collection, sample preparation, and sample analysis that are required for a successful biomonitoring program using chemical analysis are emphasized. The advantages and disadvantages of common analytical methods suitable for chemical analysis of lichens are briefly discussed. Aspects of a quality assurance program and final contract reports are highlighted. In addition, some examples of studies using chemical analysis of lichens are discussed.

  8. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F.; Reid, Ray D.

    2012-01-01

    This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses

  9. Chemical Kinetics at the Single-Molecule Level

    ERIC Educational Resources Information Center

    Levitus, Marcia

    2011-01-01

    For over a century, chemists have investigated the rates of chemical reactions using experimental conditions involving huge numbers of molecules. As a consequence, the description of the kinetics of the reaction in terms of average values was good enough for all practical purposes. From the pedagogical point of view, such a description misses the…

  10. 40 CFR 141.11 - Maximum contaminant levels for inorganic chemicals.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 22 2010-07-01 2010-07-01 false Maximum contaminant levels for inorganic chemicals. 141.11 Section 141.11 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... § 141.11 Maximum contaminant levels for inorganic chemicals. (a) The maximum contaminant level...

  11. 40 CFR 141.11 - Maximum contaminant levels for inorganic chemicals.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 24 2012-07-01 2012-07-01 false Maximum contaminant levels for inorganic chemicals. 141.11 Section 141.11 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... § 141.11 Maximum contaminant levels for inorganic chemicals. (a) The maximum contaminant level...

  12. Different Models Used to Interpret Chemical Changes: Analysis of a Curriculum and Its Impact on French Students' Reasoning

    ERIC Educational Resources Information Center

    Kermen, Isabelle; Meheut, Martine

    2009-01-01

    We present an analysis of the new French curriculum on chemical changes describing the underlying models and highlighting their relations to the empirical level. The authors of the curriculum introduced a distinction between the chemical change of a chemical system and the chemical reactions that account for it. We specify the different roles of…

  13. ISS Expeditions 16 & 17: Chemical Analysis Results for Potable Water

    NASA Technical Reports Server (NTRS)

    Straub, John E., II; Plumlee, Debrah K.; Schultz, John R.

    2009-01-01

    During the twelve month span of Expeditions 16 and 17 beginning October of 2007, the chemical quality of the potable water onboard the International Space Station (ISS) was verified safe for crew consumption through the return and chemical analysis of water samples by the Water and Food Analytical Laboratory (WAFAL) at Johnson Space Center (JSC). Reclaimed cabin humidity condensate and Russian ground-supplied water were the principle sources of potable water and for the first time, European groundsupplied water was also available. Although water was transferred from Shuttle to ISS during Expeditions 16 and 17, no Shuttle potable water was consumed during this timeframe. A total of 12 potable water samples were collected using U.S. hardware during Expeditions 16 and 17 and returned on Shuttle flights 1E (STS122), 1JA (STS123), and 1J (STS124). The average sample volume was sufficient for complete chemical characterization to be performed. The results of JSC chemical analyses of these potable water samples are presented in this paper. The WAFAL also received potable water samples for analysis from the Russian side collected inflight with Russian hardware, as well as preflight samples of Rodnik potable water delivered to ISS on Russian Progress vehicles 28 to 30. Analytical results for these additional potable water samples are also reported and discussed herein. Although the potable water supplies available during Expeditions 16 and 17 were judged safe for crew consumption, a recent trending of elevated silver levels in the SVOZV water is a concern for longterm consumption and efforts are being made to lower these levels.

  14. Physical and chemical characterization of beryllium particles from several workplaces in Québec, Canada--part A: determining methods for the analysis of low levels of beryllium.

    PubMed

    Rouleau, Mathieu; Dion, Chantal; Plamondon, Philippe; Kennedy, Greg; L'Espérance, Gilles; Zayed, Joseph

    2005-11-12

    Chemical and physical characterizations of beryllium (Be) particles found in settled dust samples from four industries based in Québec were attempted using a variety of analytical methods. Bulk particle chemistry was determined using inductively coupled plasma-mass spectrometry (ICP-MS), graphite furnace atomic absorption spectrometry (GFAAS), and instrumental neutron activation analysis (INAA). Time-of-flight secondary-ion mass spectrometry (TOF-SIMS), transmission electron microscopy, scanning electron microscopy, energy-dispersive spectroscopy, x-ray diffraction (XRD), electron energy loss spectrometry (EELS), and Auger microscopy were used to characterize physicochemical properties of particles. These analyses were deemed important based on the hypotheses that (1) different chemical forms of Be do not present the same risks, and (2) different morphologies lead to different risks. Standards were used to prove the adequacy of XRD, EELS, and Auger microscopy prior to the analyses of industrial samples. However, low concentrations of Be in samples were a limiting factor for most methods; few detected Be in industrial samples. Only ICP-MS, GFAAS, and TOF-SIMS were able to detect Be in industrial samples analyzed in this study. Characterization of settled dust samples showed high number of Be particles, even for Be concentrations below 100 ppm. Furthermore, Be seems to be present as fine particles of Be metal, possibly mechanically agglomerated or aggregated to larger particles or compounds such as cryolite. Other major elements detected with INAA present in the samples were limited to Na, Al, Ca, and F. It was concluded that TOF-SIMS is a valid method for characterizing particles containing approximately 0.01% Be. PMID:16207636

  15. Food Antioxidants: Chemical Insights at the Molecular Level.

    PubMed

    Galano, Annia; Mazzone, Gloria; Alvarez-Diduk, Ruslán; Marino, Tiziana; Alvarez-Idaboy, J Raúl; Russo, Nino

    2016-01-01

    In this review, we briefly summarize the reliability of the density functional theory (DFT)-based methods to accurately predict the main antioxidant properties and the reaction mechanisms involved in the free radical-scavenging reactions of chemical compounds present in food. The analyzed properties are the bond dissociation energies, in particular those involving OH bonds, electron transfer enthalpies, adiabatic ionization potentials, and proton affinities. The reaction mechanisms are hydrogen-atom transfer, proton-coupled electron transfer, radical adduct formation, single electron transfer, sequential electron proton transfer, proton-loss electron transfer, and proton-loss hydrogen-atom transfer. Furthermore, the chelating ability of these compounds and its role in decreasing or inhibiting the oxidative stress induced by Fe(III) and Cu(II) are considered. Comparisons between theoretical and experimental data confirm that modern theoretical tools are not only able to explain controversial experimental facts but also to predict chemical behavior. PMID:26772412

  16. Zeeman laser interferometry for detection and chemical analysis

    SciTech Connect

    Johnston, R.G.

    1993-12-01

    Zeeman interferometry has a number of applications for ultrasensitive detection and chemical analysis, including refractive index detection, micro-thermometry, thermooptic spectroscopy, and light scattering.

  17. Single-Level and Multilevel Mediation Analysis

    ERIC Educational Resources Information Center

    Tofighi, Davood; Thoemmes, Felix

    2014-01-01

    Mediation analysis is a statistical approach used to examine how the effect of an independent variable on an outcome is transmitted through an intervening variable (mediator). In this article, we provide a gentle introduction to single-level and multilevel mediation analyses. Using single-level data, we demonstrate an application of structural…

  18. The impact of infield biomass burning on PM levels and its chemical composition.

    PubMed

    Dambruoso, P; de Gennaro, G; Di Gilio, A; Palmisani, J; Tutino, M

    2014-12-01

    In the South of Italy, it is common for farmers to burn pruning waste from olive trees in spring. In order to evaluate the impact of the biomass burning source on the physical and chemical characteristics of the particulate matter (PM) emitted by these fires, a PM monitoring campaign was carried out in an olive grove. Daily PM10 samples were collected for 1 week, when there were no open fires, and when biomass was being burned, and at two different distances from the fires. Moreover, an optical particle counter and a polycyclic aromatic hydrocarbon (PAH) analyzer were used to measure the high time-resolved dimensional distribution of particles emitted and total PAHs concentrations, respectively. Chemical analysis of PM10 samples identified organic and inorganic components such as PAHs, ions, elements, and carbonaceous fractions (OC, EC). Analysis of the collected data showed the usefulness of organic and inorganic tracer species and of PAH diagnostic ratios for interpreting the impact of biomass fires on PM levels and on its chemical composition. Finally, high time-resolved monitoring of particle numbers and PAH concentrations was performed before, during, and after biomass burning, and these concentrations were seen to be very dependent on factors such as weather conditions, combustion efficiency, and temperature (smoldering versus flaming conditions), and moisture content of the wood burned. PMID:24310905

  19. Level and Chemical Composition of Cryoglobulins in Schizophrenia

    NASA Astrophysics Data System (ADS)

    Khoyetsyan, Aren; Boyajyan, Anna; Melkumova, Maya

    The blood samples of 40 schizophrenic patients were tested for the presence of cryoglobulins (Cgs) and composition of Cgs was examined. The elevated levels of type III Cgs, containing complement components, were detected in all study subjects.

  20. Chemical analysis of human blood for assessment of environmental exposure to semivolatile organochlorine chemical contaminants.

    PubMed

    Bristol, D W; Crist, H L; Lewis, R G; MacLeod, K E; Sovocool, G W

    1982-01-01

    A chemical method for the quantitative analysis of organochlorine pesticide residues present in human blood was scaled-up to provide increased sensitivity and extended to include organochlorine industrial chemicals. Whole blood samples were extracted with hexane, concentrated, and analyzed without further cleanup by gas chromatography with electron capture detection. The methodology used was validated by conducting recovery studies at 1 and 10 ng/g (ppb) levels. Screening and confirmational analyses were performed by gas chromatography/mass spectrometry on samples collected from potentially exposed residents of the Love Canal area of Niagara Falls, New York and from volunteers in the Research Triangle Park area of North Carolina for 25 specific semivolatile organochlorine contaminants including chlorobenzene and chlorotoluene congeners, hexachloro-1,3-butadiene, pesticides, and polychlorinated biphenyls as Aroclor 1260. Dichlorobenzene, hexachlorobenzene, and beta-hexachlorocyclohexane residues fell in the range of 0.1 to 26 ppb in a high percentage of both the field and volunteer blood samples analyzed. Levels of other organochlorine compounds were either non-detectable or present in sub-ppb ranges. PMID:6819409

  1. COLLECTION AND CHEMICAL ANALYSIS OF LICHENS FOR BIOMONITORING

    EPA Science Inventory

    This chapter discusses the interrelated aspects of biomonitoring using chemical analysis of lichens. Many unique aspects of study objectives, study design (including design tasks, considerations, and sampling schemes), sample collection, sample preparation, and sample analysis th...

  2. CHEMICAL ANALYSIS METHODS FOR ATMOSPHERIC AEROSOL COMPONENTS

    EPA Science Inventory

    This chapter surveys the analytical techniques used to determine the concentrations of aerosol mass and its chemical components. The techniques surveyed include mass, major ions (sulfate, nitrate, ammonium), organic carbon, elemental carbon, and trace elements. As reported in...

  3. Chemical Components of Cells at the Microscopic Level.

    ERIC Educational Resources Information Center

    Freeman, H. E.

    1985-01-01

    Thin slices of potato can be used to demonstrate the presence of protein, carbohydrates, and nucleic acids at the cellular level. Procedures and materials are provided for these simple tests. Also indicates that the presence of fat can be readily seen by staining avocado with Sudan red or Sudan black. (Author/DH)

  4. From Common Sense Concepts to Scientifically Conditioned Concepts of Chemical Bonding: An Historical and Textbook Approach Designed to Address Learning and Teaching Issues at the Secondary School Level

    ERIC Educational Resources Information Center

    Croft, Michael; de Berg, Kevin

    2014-01-01

    This paper selects six key alternative conceptions identified in the literature on student understandings of chemical bonding and illustrates how a historical analysis and a textbook analysis can inform these conceptions and lead to recommendations for improving the teaching and learning of chemical bonding at the secondary school level. The…

  5. Level of chemical and microbiological contaminations in chili bo (paste).

    PubMed

    Zaini, Nurul Aqilah Mohd; Harith, Hanis Hazeera; Olusesan, Akanbi Taiwo; Zulkifli, Anwarul Hidayah; Bakar, Fatimah Abu; Osman, Azizah; Hamid, Azizah Abd; Saari, Nazamid

    2010-03-01

    The objective of this study was to determine the level of preservatives and microbiological loads in various brands of commercially available chili bo (paste). Fifteen different brands of chili bo obtained from the local market and hypermarkets were analyzed for pH, moisture and benzoic acid content, microbiological loads (aerobic, anaerobic, aerobic spores, and fungi), and thermophilic microorganisms. Results showed that both moisture content and pH vary among samples. The concentrations of benzoic acid detected in chili bo were found to be in the range of 537 to 5,435 mg/kg. Nine of fifteen brands were found to exceed the maximum level permitted by the Malaysian Food Law in accordance with the Codex Alimentarius (1,000 mg/kg for benzoic acid). An apparent correlation between benzoic acid concentration and microbiological loads present in the chili bo was observed. The microbiological loads were found to be relatively low in the end products containing high amounts of benzoic acid. The heat-resistant (70 to 80 degrees C) microorganisms present in chili bo were identified as Ochrobacterum tritici, Stenotrophomonas rhizophila, Microbacterium maritypicum, Roseomonas spp., CDC group II-E subgroup A, Flavimonas oryzihabitans, and Pseudomonas aeruginosa, with M. maritypicum being the most frequently found (in 9 of 15 samples) microorganism. Most of these identified microorganisms were not known to cause foodborne illnesses. PMID:20202342

  6. DRILLING MUD ASSESSMENT CHEMICAL ANALYSIS REFERENCE VOLUME

    EPA Science Inventory

    This report presents concentrations of specific metals and hydrocarbons in eleven drilling fluids (muds) taken from operating gas and oil rigs in the Gulf of Mexico. Each drilling fluid was analyzed chemically for heavy metal and hydrocarbon content in three distinct phases: (1) ...

  7. Theory, Image Simulation, and Data Analysis of Chemical Release Experiments

    NASA Technical Reports Server (NTRS)

    Wescott, Eugene M.

    1994-01-01

    The final phase of Grant NAG6-1 involved analysis of physics of chemical releases in the upper atmosphere and analysis of data obtained on previous NASA sponsored chemical release rocket experiments. Several lines of investigation of past chemical release experiments and computer simulations have been proceeding in parallel. This report summarizes the work performed and the resulting publications. The following topics are addressed: analysis of the 1987 Greenland rocket experiments; calculation of emission rates for barium, strontium, and calcium; the CRIT 1 and 2 experiments (Collisional Ionization Cross Section experiments); image calibration using background stars; rapid ray motions in ionospheric plasma clouds; and the NOONCUSP rocket experiments.

  8. Environmental analysis of the chemical release module. [space shuttle payload

    NASA Technical Reports Server (NTRS)

    Heppner, J. P.; Dubin, M.

    1980-01-01

    The environmental analysis of the Chemical Release Module (a free flying spacecraft deployed from the space shuttle to perform chemical release experiments) is reviewed. Considerations of possible effects of the injectants on human health, ionosphere, weather, ground based optical astronomical observations, and satellite operations are included. It is concluded that no deleterious environmental effects of widespread or long lasting nature are anticipated from chemical releases in the upper atmosphere of the type indicated for the program.

  9. Multiphase chemical analysis of terpene oxidation products

    NASA Astrophysics Data System (ADS)

    Herrmann, F.; Williams, J.; Röckmann, T.; Winterhalter, R.; Holzinger, R.

    2009-04-01

    A new technique was developed for multiphase monitoring of organic species in the gasphase and on aerosols with a Proton Transfer Reaction Mass Spectrometer (PTRMS) as the detector. An advantage of the soft ionization technique of the PTRMS, is that it is possible to see the ozonolysis products with little fragmentation. When fragmentation does occur, it is limited to the loss of water from a hydroxyl or carboxyl group, thus facilitating identification. This new system gives detailed information on the chemical composition of organic aerosols, and allows the chemical evolution of condensed organics to be monitored. With this new system it is possible to identify specific chemical compounds in both gas and aerosol phases, instead of the "total organics" which have been reported previously. A series of reactions of ozone with terpenes, beta-caryophyllene and isoprene were preformed in a smog chamber. The secondary organic aerosol and VOCs in the gas phase were measured. Due to the high aerosol concentrations in the smog chamber experiments, air samples could be collected at high time resolution, and it is possible to observe the aging of the aerosol and the gas phase.

  10. Chemical properties and methods of analysis of refractory compounds

    NASA Technical Reports Server (NTRS)

    Samsonov, G. V. (Editor); Frantsevich, I. N. (Editor); Yeremenko, V. N. (Editor); Nazarchuk, T. N. (Editor); Popova, O. I. (Editor)

    1978-01-01

    Reactions involving refractory metals and the alloys based on them are discussed. Chemical, electrochemical, photometric, spectrophotometric, and X-ray analysis are among the methods described for analyzing the results of the reactions and for determining the chemical properties of these materials.

  11. Alpha particle backscattering measurements used for chemical analysis of surfaces

    NASA Technical Reports Server (NTRS)

    Patterson, J. H.

    1967-01-01

    Alpha particle backscattering performs a chemical analysis of surfaces. The apparatus uses a curium source and a semiconductor detector to determine the energy spectrum of the particles. This in turn determines the chemical composition of the surface after calibration to known samples.

  12. Regional frequency analysis of extreme groundwater levels.

    PubMed

    Fürst, Josef; Bichler, Andrea; Konecny, Franz

    2015-01-01

    Flood risk is generally perceived as being a consequence of surface water inundation. However, large damage is also caused by high groundwater levels. In surface hydrology, statistical frequency analysis is a standard tool to estimate discharge with a given return period or exceedance probability. First, a suitable probability distribution is fit to a series of annual maximum peaks. Second, this distribution is used to determine the discharge corresponding to the desired return period. Where only short series of recorded data are available, the estimates can often be improved by regional frequency analysis (RFA). Unfortunately, there is little information in the literature on analogous approaches for the estimation of extreme groundwater levels. In this contribution, the applicability of l-moments-based RFA for the estimation of extreme groundwater levels is investigated. The main issues specific to groundwater levels are (1) appropriate transformation of the data, (2) criteria for identification of statistically homogeneous regions, (3) consideration of correlation between sites, and (4) choice of distribution function. This study is based on data from more than 1100 observation sites in four shallow Austrian Aquifers with a record length of 10 to 50 years. Results show that homogeneous regions for l-moments-based RFA can be identified covering about one half of the total area of the aquifers. The confidence intervals for the 30- and 100-year return levels can be significantly reduced by RFA. Out of the four investigated distribution functions, none is to be preferred generally. PMID:24903411

  13. PROJECTING POPULATION-LEVEL RESPONSES OF MYSIDS EXPOSED TO AN ENDOCRINE DISRUPTING CHEMICAL

    EPA Science Inventory

    Raimondo, Sandy and Charles L. McKenney, Jr. Submitted. Projecting Population-Level Responses of Mysids Exposed to an Endocrine-Disrupting Chemical. Integr. Comp. Biol. 23 p. (ERL,GB 1203).

    To fully understand the implications of a chemical's effect on the conservation of...

  14. Scaffold topologies. 2. Analysis of chemical databases.

    PubMed

    Wester, Michael J; Pollock, Sara N; Coutsias, Evangelos A; Allu, Tharun Kumar; Muresan, Sorel; Oprea, Tudor I

    2008-07-01

    We have systematically enumerated graph representations of scaffold topologies for up to eight-ring molecules and four-valence atoms, thus providing coverage of the lower portion of the chemical space of small molecules (Pollock et al. J. Chem. Inf. Model., this issue). Here, we examine scaffold topology distributions for several databases: ChemNavigator and PubChem for commercially available chemicals, the Dictionary of Natural Products, a set of 2742 launched drugs, WOMBAT, a database of medicinal chemistry compounds, and two subsets of PubChem, "actives" and DSSTox comprising toxic substances. We also examined a virtual database of exhaustively enumerated small organic molecules, GDB (Fink et al. Angew. Chem., Int. Ed. 2005, 44, 1504-1508), and we contrast the scaffold topology distribution from these collections to the complete coverage of up to eight-ring molecules. For reasons related, perhaps, to synthetic accessibility and complexity, scaffolds exhibiting six rings or more are poorly represented. Among all collections examined, PubChem has the greatest scaffold topological diversity, whereas GDB is the most limited. More than 50% of all entries (13 000 000+ actual and 13 000 000+ virtual compounds) exhibit only eight distinct topologies, one of which is the nonscaffold topology that represents all treelike structures. However, most of the topologies are represented by a single or very small number of examples. Within topologies, we found that three-way scaffold connections (3-nodes) are much more frequent compared to four-way (4-node) connections. Fused rings have a slightly higher frequency in biologically oriented databases. Scaffold topologies can be the first step toward an efficient coarse-grained classification scheme of the molecules found in chemical databases. PMID:18605681

  15. Standard methods for chemical analysis of special brasses and bronzes

    SciTech Connect

    Not Available

    1980-01-01

    These methods cover procedures for the chemical analysis of the commercial alloys known as copper-base alloy ingots for sand castings, forging rods, bars, and shapes; aluminum brass; manganese bronze; phosphor bronze; copper-silicon alloys; and similar alloys.

  16. BIOASSAY-DIRECTED CHEMICAL ANALYSIS IN ENVIRONMENTAL RESEARCH

    EPA Science Inventory

    The use of short-term bioassay tests in conjunction with analytical measurements, constitute a powerful tool for identifying important environmental contaminants. The authors have coined the terminology 'bioassay directed chemical analysis' to best describe this marriage of analy...

  17. Chemical Diversity, Origin, and Analysis of Phycotoxins.

    PubMed

    Rasmussen, Silas Anselm; Andersen, Aaron John Christian; Andersen, Nikolaj Gedsted; Nielsen, Kristian Fog; Hansen, Per Juel; Larsen, Thomas Ostenfeld

    2016-03-25

    Microalgae, particularly those from the lineage Dinoflagellata, are very well-known for their ability to produce phycotoxins that may accumulate in the marine food chain and eventually cause poisoning in humans. This includes toxins accumulating in shellfish, such as saxitoxin, okadaic acid, 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 that are toxic to fish, the so-called ichthyotoxins. Despite numerous reports of algal blooms causing massive fish kills worldwide, only a few types of compounds, such as the karlotoxins, have been proven to be true ichthyotoxins. This review will highlight marine microalgae as the source of some of the most complex natural compounds known to mankind, with chemical structures that show no resemblance to what has been characterized from plants, fungi, or bacteria. In addition, it will summarize algal species known to be related to fish-killing blooms, but from which ichthyotoxins are yet to be characterized. PMID:26901085

  18. SYSTEMS CHEMICAL ANALYSIS OF PETROLEUM POLLUTANTS

    EPA Science Inventory

    The application of an established mathematical treatment useful for the characterization and identification of petroleum pollutants is described. Using discriminant analysis of relevant infrared spectrophotometric data, 99% of numerous known and unknown oil samples have been corr...

  19. Chemical control over the energy-level alignment in a two-terminal junction

    NASA Astrophysics Data System (ADS)

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-07-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions.

  20. Chemical control over the energy-level alignment in a two-terminal junction

    PubMed Central

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-01-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200

  1. Chemical control over the energy-level alignment in a two-terminal junction.

    PubMed

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C S Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A

    2016-01-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200

  2. Improved inhalation technology for setting safe exposure levels for workplace chemicals

    NASA Technical Reports Server (NTRS)

    Stuart, Bruce O.

    1993-01-01

    Threshold Limit Values recommended as allowable air concentrations of a chemical in the workplace are often based upon a no-observable-effect-level (NOEL) determined by experimental inhalation studies using rodents. A 'safe level' for human exposure must then be estimated by the use of generalized safety factors in attempts to extrapolate from experimental rodents to man. The recent development of chemical-specific physiologically-based toxicokinetics makes use of measured physiological, biochemical, and metabolic parameters to construct a validated model that is able to 'scale-up' rodent response data to predict the behavior of the chemical in man. This procedure is made possible by recent advances in personal computer software and the emergence of appropriate biological data, and provides an analytical tool for much more reliable risk evaluation and airborne chemical exposure level setting for humans.

  3. Methods for Chemical Analysis of Fresh Waters.

    ERIC Educational Resources Information Center

    Golterman, H. L.

    This manual, one of a series prepared for the guidance of research workers conducting studies as part of the International Biological Programme, contains recommended methods for the analysis of fresh water. The techniques are grouped in the following major sections: Sample Taking and Storage; Conductivity, pH, Oxidation-Reduction Potential,…

  4. Electron Spectroscopy: Applications for Chemical Analysis

    ERIC Educational Resources Information Center

    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.

  5. Chemical analysis of individual mammalian cells

    SciTech Connect

    Tan, W.; Yeung, E.S.

    1994-12-31

    The extremely small size of mammalian cells creates an unusual challenge for the analytical chemist, both in terms of separation and detection. Under a microscope, it is possible to confirm the injection of individual cells such as erythrocyte into capillaries with 10-{mu}m i.d. by hydrostatic pressure. The ionic contents can then be separated by capillary electrophoresis after the cell lyses. Enzymes at the zeptomole level can be monitored by on-column fluorescence enzyme assay. On-column particle-counting immunoassay can be applied to a broad range of analytes (antigens), also at the zeptomole level. The authors report here the simultaneous determination of the amounts of glucose-6-phosphate dehydrogenase (G6PDH) and their activities in individual erythrocytes by using a combination of the two detection schemes. Insights into the degradation of proteins as a function of cell age can be derived.

  6. Portfolio Selection Using Level Crossing Analysis

    NASA Astrophysics Data System (ADS)

    Bolgorian, Meysam; Shirazi, A. H.; Jafari, G. R.

    Asset allocation is one of the most important and also challenging issues in finance. In this paper using level crossing analysis we introduce a new approach for portfolio selection. We introduce a portfolio index that is obtained based on minimizing the waiting time to receive known return and risk values. By the waiting time, we mean time that a special level is observed in average. The advantage of this approach is that the investors are able to set their goals based on gaining return and knowing the average waiting time and risk value at the same time. As an example we use our model for forming portfolio of stocks in Tehran Stock Exchange (TSE).

  7. Model Docking Using Knowledge-Level Analysis

    NASA Astrophysics Data System (ADS)

    Trewhitt, Ethan; Whitaker, Elizabeth; Briscoe, Erica; Weiss, Lora

    This paper presents an initial approach for exploring the docking of social models at the knowledge level. We have prototyped a simple blackboard environment allowing for model docking experimentation. There are research challenges in identifying which models are appropriate to dock and the concepts that they should exchange to build a richer multi-scale view of the world. Our early approach includes docking of societal system dynamics models with individual and organizational behaviors represented in agent-based models. Case-based models allow exploration of historical knowledge by other models. Our research presents initial efforts to attain opportunistic, asynchronous interactions among multi-scale models through investigation and experimentation of knowledge-level model docking. A docked system can supply a multi-scale modeling capability to support a user's what-if analysis through combinations of case-based modeling, system dynamics approaches and agent-based models working together. An example is provided for the domain of terrorist recruiting.

  8. Systems-Level Analysis of Innate Immunity

    PubMed Central

    Zak, Daniel E.; Tam, Vincent C.; Aderem, Alan

    2014-01-01

    Systems-level analysis of biological processes strives to comprehensively and quantitatively evaluate the interactions between the relevant molecular components over time, thereby enabling development of models that can be employed to ultimately predict behavior. Rapid development in measurement technologies (omics), when combined with the accessible nature of the cellular constituents themselves, is allowing the field of innate immunity to take significant strides toward this lofty goal. In this review, we survey exciting results derived from systems biology analyses of the immune system, ranging from gene regulatory networks to influenza pathogenesis and systems vaccinology. PMID:24655298

  9. Period analysis at high noise level

    NASA Astrophysics Data System (ADS)

    Kovacs, G.

    1980-05-01

    Analytical expressions are derived for the variances of three types of periodograms due to normal-distributed noise present in the data: the conventional Fourier spectrum, the method of Warner and Robinson (1972), and Jurkevich's method (1971). The equivalence of the Jurkevich method and that of Warner and Robinson is proved. The optimum phase cell number of the Warner-Robinson method is given; this number depends on the data length, signal form, and noise level. Results are illustrated by the analysis of two typical forms of light curves: an eclipsing type light curve and an RRa curve.

  10. Pretest uncertainty analysis for chemical rocket engine tests

    NASA Technical Reports Server (NTRS)

    Davidian, Kenneth J.

    1987-01-01

    A parametric pretest uncertainty analysis has been performed for a chemical rocket engine test at a unique 1000:1 area ratio altitude test facility. Results from the parametric study provide the error limits required in order to maintain a maximum uncertainty of 1 percent on specific impulse. Equations used in the uncertainty analysis are presented.

  11. Applications of immobilized biocatalysts in chemical analysis

    SciTech Connect

    Bowers, L.D.

    1986-04-01

    In 1974, Weetall published a report in Analytical Chemistry documenting the increasing interest in a relatively new concept in catalysis involving enzymes physically or covalently bound to a solid support. Very few reports of a new immobilization chemistry can stir enthusiasm, and the descriptions of new analysis systems have become less and less frequent. With these advances in mind, it seems appropriate to evaluate the use of immobilized enzymes as routine laboratory tools, a prediction made in 1976 (2), and the reasons for the success or failure of the technique. 20 references, 5 figures, 2 tables.

  12. Prioritizing Chemicals and Data Requirements for Screening-Level Exposure and Risk Assessment

    PubMed Central

    Brown, Trevor N.; Wania, Frank; Breivik, Knut; McLachlan, Michael S.

    2012-01-01

    Background: Scientists and regulatory agencies strive to identify chemicals that may cause harmful effects to humans and the environment; however, prioritization is challenging because of the large number of chemicals requiring evaluation and limited data and resources. Objectives: We aimed to prioritize chemicals for exposure and exposure potential and obtain a quantitative perspective on research needs to better address uncertainty in screening assessments. Methods: We used a multimedia mass balance model to prioritize > 12,000 organic chemicals using four far-field human exposure metrics. The propagation of variance (uncertainty) in key chemical information used as model input for calculating exposure metrics was quantified. Results: Modeled human concentrations and intake rates span approximately 17 and 15 orders of magnitude, respectively. Estimates of exposure potential using human concentrations and a unit emission rate span approximately 13 orders of magnitude, and intake fractions span 7 orders of magnitude. The actual chemical emission rate contributes the greatest variance (uncertainty) in exposure estimates. The human biotransformation half-life is the second greatest source of uncertainty in estimated concentrations. In general, biotransformation and biodegradation half-lives are greater sources of uncertainty in modeled exposure and exposure potential than chemical partition coefficients. Conclusions: Mechanistic exposure modeling is suitable for screening and prioritizing large numbers of chemicals. By including uncertainty analysis and uncertainty in chemical information in the exposure estimates, these methods can help identify and address the important sources of uncertainty in human exposure and risk assessment in a systematic manner. PMID:23008278

  13. PHYSICAL AND CHEMICAL MEASUREMENTS NEEDED TO SUPPORT DISPOSITION OFSAVANNAH RIVER SITE RADIOACTIVE HIGH LEVEL WASTE SLUDGE

    SciTech Connect

    Hamm, B

    2007-05-17

    Radioactive high level waste (HLW) sludge generated as a result of decades of production and manufacturing of plutonium, tritium and other nuclear materials is being removed from storage tanks and processed into a glass waste-form for permanent disposition at the Federal Repository. Characterization of this HLW sludge is a prerequisite for effective planning and execution of sludge disposition activities. The radioactivity of HLW makes sampling and analysis of the sludge very challenging, as well as making opportunities to perform characterization rare. In order to maximize the benefit obtained from sampling and analysis, a recommended list of physical property and chemical measurements has been developed. This list includes distribution of solids (insoluble and soluble) and water; densities of insoluble solids, interstitial solution, and slurry rheology (yield stress and consistency); mineral forms of solids; and primary elemental and radioactive constituents. Sampling requirements (number, type, volume, etc.), sample preparation techniques, and analytical methods are discussed in the context of pros and cons relative to end use of the data. Generation of useful sample identification codes and entry of results into a centralized database are also discussed.

  14. Bayesian Analysis of Individual Level Personality Dynamics

    PubMed Central

    Cripps, Edward; Wood, Robert E.; Beckmann, Nadin; Lau, John; Beckmann, Jens F.; Cripps, Sally Ann

    2016-01-01

    A Bayesian technique with analyses of within-person processes at the level of the individual is presented. The approach is used to examine whether the patterns of within-person responses on a 12-trial simulation task are consistent with the predictions of ITA theory (Dweck, 1999). ITA theory states that the performance of an individual with an entity theory of ability is more likely to spiral down following a failure experience than the performance of an individual with an incremental theory of ability. This is because entity theorists interpret failure experiences as evidence of a lack of ability which they believe is largely innate and therefore relatively fixed; whilst incremental theorists believe in the malleability of abilities and interpret failure experiences as evidence of more controllable factors such as poor strategy or lack of effort. The results of our analyses support ITA theory at both the within- and between-person levels of analyses and demonstrate the benefits of Bayesian techniques for the analysis of within-person processes. These include more formal specification of the theory and the ability to draw inferences about each individual, which allows for more nuanced interpretations of individuals within a personality category, such as differences in the individual probabilities of spiraling. While Bayesian techniques have many potential advantages for the analyses of processes at the level of the individual, ease of use is not one of them for psychologists trained in traditional frequentist statistical techniques. PMID:27486415

  15. Bayesian Analysis of Individual Level Personality Dynamics.

    PubMed

    Cripps, Edward; Wood, Robert E; Beckmann, Nadin; Lau, John; Beckmann, Jens F; Cripps, Sally Ann

    2016-01-01

    A Bayesian technique with analyses of within-person processes at the level of the individual is presented. The approach is used to examine whether the patterns of within-person responses on a 12-trial simulation task are consistent with the predictions of ITA theory (Dweck, 1999). ITA theory states that the performance of an individual with an entity theory of ability is more likely to spiral down following a failure experience than the performance of an individual with an incremental theory of ability. This is because entity theorists interpret failure experiences as evidence of a lack of ability which they believe is largely innate and therefore relatively fixed; whilst incremental theorists believe in the malleability of abilities and interpret failure experiences as evidence of more controllable factors such as poor strategy or lack of effort. The results of our analyses support ITA theory at both the within- and between-person levels of analyses and demonstrate the benefits of Bayesian techniques for the analysis of within-person processes. These include more formal specification of the theory and the ability to draw inferences about each individual, which allows for more nuanced interpretations of individuals within a personality category, such as differences in the individual probabilities of spiraling. While Bayesian techniques have many potential advantages for the analyses of processes at the level of the individual, ease of use is not one of them for psychologists trained in traditional frequentist statistical techniques. PMID:27486415

  16. Assessing levels of consciousness with symbolic analysis.

    PubMed

    Lee, UnCheol; Blain-Moraes, Stefanie; Mashour, George A

    2015-02-13

    'Covert consciousness' is a state in which consciousness is present without the capacity for behavioural response, and it can occur in patients with intraoperative awareness or unresponsive wakefulness syndrome. To detect and prevent this undesirable state, it is critical to develop a reliable neurobiological assessment of an individual's level of consciousness that is independent of behaviour. One such approach that shows potential is measuring surrogates of cortical communication in the brain using electroencephalography (EEG). EEG is practicable in clinical application, but involves many fundamental signal processing problems, including signal-to-noise ratio and high dimensional complexity. Symbolic analysis of EEG can mitigate these problems, improving the measurement of brain connectivity and the ability to successfully assess levels of consciousness. In this article, we review the problem of covert consciousness, basic neurobiological principles of consciousness, current methods of measuring brain connectivity and the advantages of symbolic processing, with a focus on symbolic transfer entropy (STE). Finally, we discuss recent advances and clinical applications of STE and other symbolic analyses to assess levels of consciousness. PMID:25548273

  17. Black tea: chemical analysis and stability.

    PubMed

    Li, Shiming; Lo, Chih-Yu; Pan, Min-Hsiung; Lai, Ching-Shu; Ho, Chi-Tang

    2013-01-01

    Tea is the most popular flavored and functional drink worldwide. The nutritional value of tea is mostly from the tea polyphenols that are reported to possess a broad spectrum of biological activities, including anti-oxidant properties, reduction of various cancers, inhibition of inflammation, and protective effects against diabetes, hyperlipidemia and obesity. Tea polyphenols include catechins and gallic acid in green and white teas, and theaflavins and thearubigins as well as other catechin polymers in black and oolong teas. Accurate analysis of black tea polyphenols plays a significant role in the identification of black tea contents, quality control of commercial tea beverages and extracts, differentiation of various contents of theaflavins and catechins and correlations of black tea identity and quality with biological activity, and most importantly, the establishment of the relationship between quantitative tea polyphenol content and its efficacy in animal or human studies. Global research in tea polyphenols has generated much in vitro and in vivo data rationally correlating tea polyphenols with their preventive and therapeutic properties in human diseases such as cancer, and metabolic and cardiovascular diseases etc. Based on these scientific findings, numerous tea products have been developed including flavored tea drinks, tea-based functional drinks, tea extracts and concentrates, and dietary supplements and food ingredients, demonstrating the broad applications of tea and its extracts, particularly in the field of functional food. PMID:23037977

  18. Airborne chemistry: acoustic levitation in chemical analysis.

    PubMed

    Santesson, Sabina; Nilsson, Staffan

    2004-04-01

    This review with 60 references describes a unique path to miniaturisation, that is, the use of acoustic levitation in analytical and bioanalytical chemistry applications. Levitation of small volumes of sample by means of a levitation technique can be used as a way to avoid solid walls around the sample, thus circumventing the main problem of miniaturisation, the unfavourable surface-to-volume ratio. Different techniques for sample levitation have been developed and improved. Of the levitation techniques described, acoustic or ultrasonic levitation fulfils all requirements for analytical chemistry applications. This technique has previously been used to study properties of molten materials and the equilibrium shape()and stability of liquid drops. Temperature and mass transfer in levitated drops have also been described, as have crystallisation and microgravity applications. The airborne analytical system described here is equipped with different and exchangeable remote detection systems. The levitated drops are normally in the 100 nL-2 microL volume range and additions to the levitated drop can be made in the pL-volume range. The use of levitated drops in analytical and bioanalytical chemistry offers several benefits. Several remote detection systems are compatible with acoustic levitation, including fluorescence imaging detection, right angle light scattering, Raman spectroscopy, and X-ray diffraction. Applications include liquid/liquid extractions, solvent exchange, analyte enrichment, single-cell analysis, cell-cell communication studies, precipitation screening of proteins to establish nucleation conditions, and crystallisation of proteins and pharmaceuticals. PMID:14762640

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

    NASA Technical Reports Server (NTRS)

    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.

  20. Assessment of chemical vulnerabilities in the Hanford high-level waste tanks

    SciTech Connect

    Meacham, J.E.

    1996-02-15

    The purpose of this report is to summarize results of relevant data (tank farm and laboratory) and analysis related to potential chemical vulnerabilities of the Hanford Site waste tanks. Potential chemical safety vulnerabilities examined include spontaneous runaway reactions, condensed phase waste combustibility, and tank headspace flammability. The major conclusions of the report are the following: Spontaneous runaway reactions are not credible; condensed phase combustion is not likely; and periodic releases of flammable gas can be mitigated by interim stabilization.

  1. Appendix C. Collection of Samples for Chemical Agent Analysis

    SciTech Connect

    Koester, C; Thompson, C; Doerr, T; Scripsick, R

    2005-09-23

    This chapter describes procedures for the collection and analysis of samples of various matrices for the purpose of determining the presence of chemical agents in a civilian setting. This appendix is intended to provide the reader with sufficient information to make informed decisions about the sampling and analysis process and to suggest analytical strategies that might be implemented by the scientists performing sampling and analysis. This appendix is not intended to be used as a standard operating procedure to provide detailed instructions as to how trained scientists should handle samples. Chemical agents can be classified by their physical and chemical properties. Table 1 lists the chemical agents considered by this report. In selecting sampling and analysis methods, we have considered procedures proposed by the Organization for Prohibition of Chemical Weapons (OPCW), the U. S. Environmental Protection Agency (EPA), and peer-reviewed scientific literature. EPA analytical methods are good resources describing issues of quality assurance with respect to chain-of-custody, sample handling, and quality control requirements.

  2. Extension of a System Level Tool for Component Level Analysis

    NASA Technical Reports Server (NTRS)

    Majumdar, Alok; Schallhorn, Paul

    2002-01-01

    This paper presents an extension of a numerical algorithm for network flow analysis code to perform multi-dimensional flow calculation. The one dimensional momentum equation in network flow analysis code has been extended to include momentum transport due to shear stress and transverse component of velocity. Both laminar and turbulent flows are considered. Turbulence is represented by Prandtl's mixing length hypothesis. Three classical examples (Poiseuille flow, Couette flow and shear driven flow in a rectangular cavity) are presented as benchmark for the verification of the numerical scheme.

  3. Extension of a System Level Tool for Component Level Analysis

    NASA Technical Reports Server (NTRS)

    Majumdar, Alok; Schallhorn, Paul; McConnaughey, Paul K. (Technical Monitor)

    2001-01-01

    This paper presents an extension of a numerical algorithm for network flow analysis code to perform multi-dimensional flow calculation. The one dimensional momentum equation in network flow analysis code has been extended to include momentum transport due to shear stress and transverse component of velocity. Both laminar and turbulent flows are considered. Turbulence is represented by Prandtl's mixing length hypothesis. Three classical examples (Poiseuille flow, Couette flow, and shear driven flow in a rectangular cavity) are presented as benchmark for the verification of the numerical scheme.

  4. A new chemical analysis system using a photocathode RF gun

    NASA Astrophysics Data System (ADS)

    Aoki, Yasushi; Yang, Jinfeng; Hirose, Masafumi; Sakai, Fumio; Tsunemi, Akira; Yorozu, Masafumi; Okada, Yasuhiro; Endo, Akira; Wang, Xijie; Ben-Zvi, Ilan

    2000-11-01

    A compact chemical analysis (pulse radiolysis) apparatus using a BNL-type s-band photocathode RF gun (GUN-IV) is now under development at Sumitomo Heavy Industries (SHI). Using the apparatus, fast chemical reactions induced by 3.5 ps pulse of electron beam can be analyzed by means of time-resolved photo-absorption spectroscopy with 10 ps laser pulses in the wavelength range of 210-2000 nm. The high-precision control of RF phase makes 10 ps of time-resolution possible for the analysis.

  5. Terahertz Chemical Analysis of Exhaled Human Breath - Broad Essay of Chemicals

    NASA Astrophysics Data System (ADS)

    Branco, Daniela R.; Fosnight, Alyssa M.; Thomas, Jessica R.; Medvedev, Ivan R.

    2013-06-01

    Approximately 3000 chemicals are thought to be present in human breath. Of these chemicals, many are considered typical of exhaled air. Yet, others can allude to different disease pathologies. The detection of chemicals in breath could have many practical purposes in medicine and provide a noninvasive means of diagnostics. We have previously reported on detection of ethanol, methanol, and acetone in exhaled human breath using a novel sub-millimeter/THz spectroscopic approach. This paper reports on our most recent study. A tentative list has been made of approximately 20 chemicals previously found in breath using other methods. Though many of these chemicals are only expressed in samples from donors with certain pathologies, at the time of this submission we are able to detect and quantitatively measure acetaldehyde and dimethyl sulfide in the breath of several healthy donors. Additional tentatively identified chemicals have been seen using this approach. This presentation will explain our experimental procedures and present our most recent results in THz breath analysis. Prospects, challenges and future plans will be outlined and discussed.

  6. Disclosure of hydraulic fracturing fluid chemical additives: analysis of regulations.

    PubMed

    Maule, Alexis L; Makey, Colleen M; Benson, Eugene B; Burrows, Isaac J; Scammell, Madeleine K

    2013-01-01

    Hydraulic fracturing is used to extract natural gas from shale formations. The process involves injecting into the ground fracturing fluids that contain thousands of gallons of chemical additives. Companies are not mandated by federal regulations to disclose the identities or quantities of chemicals used during hydraulic fracturing operations on private or public lands. States have begun to regulate hydraulic fracturing fluids by mandating chemical disclosure. These laws have shortcomings including nondisclosure of proprietary or "trade secret" mixtures, insufficient penalties for reporting inaccurate or incomplete information, and timelines that allow for after-the-fact reporting. These limitations leave lawmakers, regulators, public safety officers, and the public uninformed and ill-prepared to anticipate and respond to possible environmental and human health hazards associated with hydraulic fracturing fluids. We explore hydraulic fracturing exemptions from federal regulations, as well as current and future efforts to mandate chemical disclosure at the federal and state level. PMID:23552653

  7. Surface chemical composition analysis of heat-treated bamboo

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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.

  8. Micropyrolyzer for chemical analysis of liquid and solid samples

    DOEpatents

    Mowry, Curtis D.; Morgan, Catherine H.; Manginell, Ronald P.; Frye-Mason, Gregory C.

    2006-07-18

    A micropyrolyzer has applications to pyrolysis, heated chemistry, and thermal desorption from liquid or solid samples. The micropyrolyzer can be fabricated from semiconductor materials and metals using standard integrated circuit technologies. The micropyrolyzer enables very small volume samples of less than 3 microliters and high sample heating rates of greater than 20.degree. C. per millisecond. A portable analyzer for the field analysis of liquid and solid samples can be realized when the micropyrolyzer is combined with a chemical preconcentrator, chemical separator, and chemical detector. Such a portable analyzer can be used in a variety of government and industrial applications, such as non-proliferation monitoring, chemical and biological warfare detection, industrial process control, water and air quality monitoring, and industrial hygiene.

  9. ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

    SciTech Connect

    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 measured

  10. Microfabricated devices for performing chemical and biochemical analysis

    SciTech Connect

    Ramsey, J.M.; Jacobson, S.C.; Foote, R.S.

    1997-05-01

    There is growing interest in microfabricated devices that perform chemical and biochemical analysis. The general goal is to use microfabrication tools to construct miniature devices that can perform a complete analysis starting with an unprocessed sample. Such devices have been referred to as lab-on-a-chip devices. Initial efforts on microfluidic laboratory-on-a-chip devices focused on chemical separations. There are many potential applications of these fluidic microchip devices. Some applications such as chemical process control or environmental monitoring would require that a chip be used over an extended period of time or for many analyses. Other applications such as forensics, clinical diagnostics, and genetic diagnostics would employ the chip devices as single use disposable devices.

  11. Electron Spectroscopy for Chemical Analysis (ESCA) study of atmospheric particles

    NASA Technical Reports Server (NTRS)

    Dillard, J. G.; Seals, R. D.; Wightman, J. P.

    1979-01-01

    The results of analyses by ESCA (Electron Spectroscopy for Chemical Analysis) on several Nuclepore filters which were exposed during air pollution studies are presented along with correlative measurements by Neutron Activation Analysis and Scanning Electron Microscopy. Samples were exposed during air pollution studies at Norfolk, Virginia and the NASA Kennedy Space Center (KSC). It was demonstrated that with the ESCA technique it was possible to identify the chemical (bonding) state of elements contained in the atmospheric particulate matter collected on Nuclepore filters. Sulfur, nitrogen, mercury, chlorine, alkali, and alkaline earth metal species were identified in the Norfolk samples. ESCA binding energy data for aluminum indicated that three chemically different types of aluminum are present in the launch and background samples from NASA-KSC.

  12. Pure rotational spectrometers for trace-level VOC detection and chemical sensing

    NASA Astrophysics Data System (ADS)

    Neill, Justin L.; Harris, Brent J.; Pulliam, Robin L.; Muckle, Matt T.; Reynolds, Roger; McDaniel, David; Pate, Brooks H.

    2014-05-01

    Pure rotational spectroscopy in the centimeter, millimeter, and THz regions of the electromagnetic spectrum is a powerful technique for the characterization of polar molecules in the gas phase. Although this technology has a long history in the research sector for structural characterization, recent advances in digital electronics have only recently made commercial instruments competitive with established chemical analysis techniques. BrightSpec is introducing a platform of pure rotational spectrometers in response to critical unmet needs in chemical analysis. These instruments aim to deliver the operational simplicity of Fourier transform infrared spectrometers in conjunction with the chemical analysis capabilities of mass spectrometers. In particular, the BrightSpec ONE instrument a broadband gas mixture analyzer with full capabilities for chemical analysis. This instrument implements Fourier transform millimeter-wave emission spectroscopy, wherein a brief excitation pulse is applied to the sample, followed by the measurement of the coherent free induction decay responses of all molecular transitions within the excitation bandwidth. After sample injection and characterization, the spectrometer returns a list of all known species detected in the sample, along with their concentrations in the mixture. No prior knowledge about the sample composition is required. The instrument can then perform double-resonance measurements (analogous to 2-D COSY NMR), direct mass determination through analysis of the time profile of the molecular signal, and automated isotopic identification as part of a suite of tools that can return the structural identity of the unknowns in the sample.

  13. Chemical Analysis of Exhaled Human Breath Using High Resolution Mm-Wave Rotational Spectra

    NASA Astrophysics Data System (ADS)

    Guo, Tianle; Branco, Daniela; Thomas, Jessica; Medvedev, Ivan; Dolson, David; Nam, Hyun-Joo; O, Kenneth

    2014-06-01

    High resolution rotational spectroscopy enables chemical sensors that are both sensitive and highly specific, which is well suited for analysis of expired human breath. We have previously reported on detection of breath ethanol, methanol, acetone, and acetaldehyde using THz sensors. This paper will outline our present efforts in this area, with specific focus on our ongoing quest to correlate levels of blood glucose with concentrations of a few breath chemicals known to be affected by elevated blood sugar levels. Prospects, challenges and future plans will be outlined and discussed. Fosnight, A.M., B.L. Moran, and I.R. Medvedev, Chemical analysis of exhaled human breath using a terahertz spectroscopic approach. Applied Physics Letters, 2013. 103(13): p. 133703-5.

  14. Oncogene activation in spontaneous and chemically induced rodent tumors: implications for risk analysis

    SciTech Connect

    Reynolds, S.H.; Stowers, S.J.; Patterson, R.M.; Maronpot, R.R.; Anderson, M.W.

    1988-06-01

    The validity of rodent tumor end points in assessing the potential hazards of chemical exposure to humans is a somewhat controversial but very important issue since most chemicals are classified as potentially hazardous to humans on the basis of long-term carcinogenesis studies in rodents. The ability to distinguish between genotoxic, cytotoxic, or receptor-mediated promotion effects of chemical treatment would aid in the interpretation of rodent carcinogenesis data. Activated oncogenes in spontaneously occurring and chemically induced rodent tumors were examined and compared as one approach to determine the mechanism by which chemical treatment caused an increased incidence of rodent tumors. Different patterns of activated oncogenes were found not only in spontaneous versus chemically induced mouse liver tumors but also in a variety of spontaneous rat tumors versus chemically induced rat lung tumors. In the absence of cytotoxic effects, it could be argued that the chemicals in question activated protooncogenes by a direct genotoxic mechanism. These results provided a basis for the analysis of activated oncogenes in spontaneous and chemically induced rodent tumors to provide information at a molecular level to aid in the extrapolation of rodent carcinogenesis data to human risk assessment.

  15. METHOD OF CHEMICAL ANALYSIS FOR OIL SHALE WASTES

    EPA Science Inventory

    Several methods of chemical analysis are described for oil shale wastewaters and retort gases. These methods are designed to support the field testing of various pollution control systems. As such, emphasis has been placed on methods which are rapid and sufficiently rugged to per...

  16. Methods of chemical analysis used to characterize battery materials

    SciTech Connect

    Jensen, K. J.; Streets, W. E.

    1980-05-01

    Procedures are given for the chemical analysis of a variety of materials of interest in battery development and research. These materials include LiCl-KCl eutectic, Li-Al alloys, lithium sulfide, lithium aluminum chloride, calcium sulfide, titanium sulfide, and various sulfides of iron, nickel, copper, and cobalt. 8 tables.

  17. Chemical evolution of a high-level magma system: the Black Mountain volcanic center, southern Nevada

    SciTech Connect

    Vogel, T.A.; Noble, D.C.; Younker, L.W.

    1983-09-01

    A comprehensive study of stratigraphically controlled samples of both lavas and ash-flow tuffs from the Black Mountain volcanic center enables us to evaluate magmatic processes. The results of this study are used to: (1) determine how this high-level magma system developed; (2) compare this system with other similar systems; and (3) correlate ash-flow sheets using their chemical characteristics.

  18. Improving Students' Chemical Literacy Levels on Thermochemical and Thermodynamics Concepts through a Context-Based Approach

    ERIC Educational Resources Information Center

    Cigdemoglu, Ceyhan; Geban, Omer

    2015-01-01

    The aim of this study was to delve into the effect of context-based approach (CBA) over traditional instruction (TI) on students' chemical literacy level related to thermochemical and thermodynamics concepts. Four eleventh-grade classes with 118 students in total taught by two teachers from a public high school in 2012 fall semester were enrolled…

  19. Levels and risk assessment of chemical contaminants in byproducts for animal feed in Denmark.

    PubMed

    Mortensen, Alicja; Granby, Kit; Eriksen, Folmer D; Cederberg, Tommy Licht; Friis-Wandall, Søren; Simonsen, Yvonne; Broesbøl-Jensen, Birgitte; Bonnichsen, Rikke

    2014-01-01

    With aim to provide information on chemical contaminants in byproducts in animal feed, the data from an official control by the Danish Plant Directorate during 1998-2009, were reviewed and several samples of citrus pulp and dried distillers grains with solubles (DDGS) were additionally collected for analysis and risk assessment. The levels of contaminants in the samples from the official control were below maximum limits from EU regulations with only a few exceptions in the following groups; dioxins and dioxin-like polychlorobiphenyls (PCBs) in fish-containing byproducts and dioxins in vegetable and animal fat, hydrogen cyanide in linseed, and cadmium in sunflowers. The levels of pesticides and mycotoxins in the additionally collected samples were below maximum limits. Enniatin B (ENN B) was present in all DDGS samples. The hypothetical cases of carry-over of contamination from these byproducts were designed assuming total absorption and accumulation of the ingested contaminant in meat and milk and high exposure (a byproduct formed 15-20% of the feed ration depending on the species). The risk assessment was refined based on literature data on metabolism in relevant animal species. Risk assessment of contaminants in byproducts is generally based on a worst-case approach, as data on carry-over of a contaminant are sparse. This may lead to erroneous estimation of health hazards. The presence of ENN B in all samples of DDGS indicates that potential impact of this emerging mycotoxin on feed and food safety deserves attention. A challenge for the future is to fill up gaps in toxicological databases and improve models for carry-over of contaminants. PMID:25190554

  20. Monitoring sedation levels by EEG spectral analysis.

    PubMed Central

    Griffiths, M. J.; Preece, A. W.; Green, J. L.

    1991-01-01

    Real-time electroencephalographic power spectra were obtained for a group of 37 volunteers undergoing sedation with enflurane at different concentrations in air. In part one, 17 subjects were given 0.5%, 0.75%, and 1.0% for 4 min at each level, and recovery after 5 min was assessed by the Trieger method. There was considerable variation in subject response to the different doses, but adequate sedation was indicated by the presence of a strong alpha rhythm (9-11 Hz) and suppression of frequencies below 5 Hz. Overdose was indicated by an initial shift in the alpha frequency to a lower value (6-7 Hz) followed by the appearance of delta waves (0.5-4 Hz) and loss of alpha waves. In part two, 20 volunteers inhaled enflurane at 0.5% for 10 min to allow adequate absorption, followed by a 10-min recovery period. Equal numbers showed sedation or a failure to respond to enflurane at this concentration. In the responders, sedation was accompanied by a marked shift in the ratio of the power in two frequency bands: 1-4 Hz and 8-12 Hz. Progress of the frequency band power ratio followed closely the state of the subject into sedation, overdose, and recovery. This measure was further improved by the use of multivariate analysis, which showed good discrimination of the alert, sedated, and overdosed states of the subject. PMID:1842161

  1. Advanced Nanoporous Materials for Micro-Gravimetric Sensing to Trace-Level Bio/Chemical Molecules

    PubMed Central

    Xu, Pengcheng; Li, Xinxin; Yu, Haitao; Xu, Tiegang

    2014-01-01

    Functionalized nanoporous materials have been developed recently as bio/chemical sensing materials. Due to the huge specific surface of the nano-materials for molecular adsorption, high hopes have been placed on gravimetric detection with micro/nano resonant cantilevers for ultra-sensitive sensing of low-concentration bio/chemical substances. In order to enhance selectivity of the gravimetric resonant sensors to the target molecules, it is crucial to modify specific groups onto the pore-surface of the nano-materials. By loading the nanoporous sensing material onto the desired region of the mass-type transducers like resonant cantilevers, the micro-gravimetric bio/chemical sensors can be formed. Recently, such micro-gravimetric bio/chemical sensors have been successfully applied for rapid or on-the-spot detection of various bio/chemical molecules at the trace-concentration level. The applicable nanoporous sensing materials include mesoporous silica, zeolite, nanoporous graphene oxide (GO) and so on. This review article focuses on the recent achievements in design, preparation, functionalization and characterization of advanced nanoporous sensing materials for micro-gravimetric bio/chemical sensing. PMID:25313499

  2. Component pattern analysis of chemicals using multispectral THz imaging system

    NASA Astrophysics Data System (ADS)

    Kawase, Kodo; Ogawa, Yuichi; Watanabe, Yuki

    2004-04-01

    We have developed a novel basic technology for terahertz (THz) imaging, which allows detection and identification of chemicals by introducing the component spatial pattern analysis. The spatial distributions of the chemicals were obtained from terahertz multispectral transillumination images, using absorption spectra previously measured with a widely tunable THz-wave parametric oscillator. Further we have applied this technique to the detection and identification of illicit drugs concealed in envelopes. The samples we used were methamphetamine and MDMA, two of the most widely consumed illegal drugs in Japan, and aspirin as a reference.

  3. Testing the neural sensitization and kindling hypothesis for illness from low levels of environmental chemicals.

    PubMed Central

    Bell, I R; Rossi, J; Gilbert, M E; Kobal, G; Morrow, L A; Newlin, D B; Sorg, B A; Wood, R W

    1997-01-01

    Sensitization in the neuroscience and pharmacology literatures is defined as progressive increase in the size of a response over repeated presentations of a stimulus. Types of sensitization include stimulant drug-induced time-dependent sensitization (TDS), an animal model related to substance abuse, and limbic kindling, an animal model for temporal lobe epilepsy. Neural sensitization (primarily nonconvulsive or subconvulsive) to the adverse properties of substances has been hypothesized to underlie the initiation and subsequent elicitation of heightened sensitivity to low levels of environmental chemicals. A corollary of the sensitization model is that individuals with illness from low-level chemicals are among the more sensitizable members of the population. The Working Group on Sensitization and Kindling identified two primary goals for a research approach to this problem: to perform controlled experiments to determine whether or not sensitization to low-level chemical exposures occurs in multiple chemical sensitivity (MCS) patients; and to use animal preparations for kindling and TDS as nonhomologous models for the initiation and elicitation of MCS. PMID:9167993

  4. Chemical Cytometry: Fluorescence-Based Single-Cell Analysis

    NASA Astrophysics Data System (ADS)

    Cohen, Daniella; Dickerson, Jane A.; Whitmore, Colin D.; Turner, Emily H.; Palcic, Monica M.; Hindsgaul, Ole; Dovichi, Norman J.

    2008-07-01

    Cytometry deals with the analysis of the composition of single cells. Flow and image cytometry employ antibody-based stains to characterize a handful of components in single cells. Chemical cytometry, in contrast, employs a suite of powerful analytical tools to characterize a large number of components. Tools have been developed to characterize nucleic acids, proteins, and metabolites in single cells. Whereas nucleic acid analysis employs powerful polymerase chain reaction-based amplification techniques, protein and metabolite analysis tends to employ capillary electrophoresis separation and ultrasensitive laser-induced fluorescence detection. It is now possible to detect yoctomole amounts of many analytes in single cells.

  5. Development of chemically bonded phosphate ceramics for stabilizing low-level mixed wastes

    NASA Astrophysics Data System (ADS)

    Jeong, Seung-Young

    1997-11-01

    Novel chemically bonded phosphate ceramics have been developed by acid-base reactions between magnesium oxide and an acid phosphate at room temperature for stabilizing U.S. Department of Energy's low-level mixed waste streams that include hazardous chemicals and radioactive elements. Newberyite (MgHPOsb4.3Hsb2O)-rich magnesium phosphate ceramic was formed by an acid-base reaction between phosphoric acid and magnesium oxide. The reaction slurry, formed at room-temperature, sets rapidly and forms stable mineral phases of newberyite, lunebergite, and residual MgO. Rapid setting also generates heat due to exothermic acid-base reaction. The reaction was retarded by partially neutralizing the phosphoric acid solution by adding sodium or potassium hydroxide. This reduced the rate of reaction and heat generation and led to a practical way of producing novel magnesium potassium phosphate ceramic. This ceramic was formed by reacting stoichiometric amount of monopotassium dihydrogen phosphate crystals, MgO, and water, forming pure-phase of MgKPOsb4.6Hsb2O (MKP) with moderate exothermic reaction. Using this chemically bonded phosphate ceramic matrix, low-level mixed waste streams were stabilized, and superior waste forms in a monolithic structure were developed. The final waste forms showed low open porosity and permeability, and higher compression strength than the Land Disposal Requirements (LDRs). The novel MKP ceramic technology allowed us to develop operational size waste forms of 55 gal with good physical integrity. In this improved waste form, the hazardous contaminants such as RCRA heavy metals (Hg, Pb, Cd, Cr, Ni, etc) were chemically fixed by their conversion into insoluble phosphate forms and physically encapsulated by the phosphate ceramic. In addition, chemically bonded phosphate ceramics stabilized radioactive elements such U and Pu. This was demonstrated with a detailed stabilization study on cerium used as a surrogate (chemically equivalent but nonradioactive

  6. Integrated Numerical Simulation of Thermo-Hydro-Chemical Phenomena Associated with Geologic Disposal of High-Level Radioactive Waste

    NASA Astrophysics Data System (ADS)

    Park, Sang-Uk; Kim, Jun-Mo; Kihm, Jung-Hwi

    2014-05-01

    chemical transport including dissolution and precipitation of minerals and groundwater quality changes due to heat generation associated with geologic disposal of high-level radioactive waste. Therefore, it is expected that the thermo-hydro-chemical numerical simulation approach suggested in this study can be utilized reasonably and widely in optimization, improvement, cost reduction, potential risk analysis, mitigation, and policy establishment related to geologic disposal of high-level radioactive waste. This work was supported by the Radioactive Waste Management Program funded by the Korea Institute of Energy Technology Evaluation and Planning (KETEP), Ministry of Trade, Industry and Energy, Republic of Korea.

  7. The control of chemical weapons: A strategic analysis

    SciTech Connect

    Stern, J.E.

    1992-01-01

    This thesis develops an analytical framework for optimal design of a ban on chemical weapons (CW). The thesis addresses two principal questions: first, could it be in the interest of individual states to adopt a CW ban, even if compliance by adversaries cannot be presupposed Second, how can designers of the treaty maximize incentives to accede and comply, but simultaneously minimize the threat to national sovereignty, including the risk of giving up a deterrent stockpile, and the risk that sensitive information would be revealed during inspections Three problems can plague any disarmament agreement. The first danger is that the agreement will be so minimalist that although all countries may adhere to it, it will have little effect on international behavior. The second danger is that the treaty will have such a weak enforcement mechanism that although nations may accede, they may not comply under conditions of international stress. The third danger is that the terms of the arrangement will be so onerous that few nations will agree to adopt it in the first place. This thesis develops a framework for thinking about how to strike the proper balance between these competing concerns. A salient characteristic of CW is the relative ease with which they can be produced in secret. The dissertation analyzes the effectiveness of inspection procedures of varying intrusiveness, and investigates the risks to sensitive government and industrial facilities. The thesis concludes with an analysis of the extent to which a ban on a single weapon could enhance the stability of the [open quotes]balance of terror.[close quotes] The author makes specific policy recommendations about how to set the optimal level of enforcement so that the ban is likely to succeed, and thus become more than a symbolic gesture.

  8. Field-Level Sublethal Effects of Approved Bee Hive Chemicals on Honey Bees (Apis mellifera L)

    PubMed Central

    Berry, Jennifer A.; Hood, W. Michael; Pietravalle, Stéphane; Delaplane, Keith S.

    2013-01-01

    In a study replicated across two states and two years, we tested the sublethal effects on honey bees of the miticides Apistan (tau fluvalinate) and Check Mite+ (coumaphos) and the wood preservative copper naphthenate applied at label rates in field conditions. A continuous covariate, a colony Varroa mite index, helped us disambiguate the effects of the chemicals on bees while adjusting for a presumed benefit of controlling mites. Mite levels in colonies treated with Apistan or Check Mite+ were not different from levels in non-treated controls. Experimental chemicals significantly decreased 3-day brood survivorship and increased construction of queen supercedure cells compared to non-treated controls. Bees exposed to Check Mite+ as immatures had higher legacy mortality as adults relative to non-treated controls, whereas bees exposed to Apistan had improved legacy mortality relative to non-treated controls. Relative to non-treated controls, Check Mite+ increased adult emergence weight. Although there was a treatment effect on a test of associative learning, it was not possible to statistically separate the treatment means, but bees treated with Apistan performed comparatively well. And finally, there were no detected effects of bee hive chemical on colony bee population, amount of brood, amount of honey, foraging rate, time required for marked released bees to return to their nest, percentage of released bees that return to the nest, and colony Nosema spore loads. To our knowledge, this is the first study to examine sublethal effects of bee hive chemicals applied at label rates under field conditions while disambiguating the results from mite control benefits realized from the chemicals. Given the poor performance of the miticides at reducing mites and their inconsistent effects on the host, these results defend the use of bee health management practices that minimize use of exotic hive chemicals. PMID:24204638

  9. NEOCAM: The Near Earth Object Chemical Analysis Mission

    NASA Astrophysics Data System (ADS)

    Nuth, Joseph A.; Lowrance, John L.; Carruthers, George R.

    2008-06-01

    The prime measurement objective of the Near Earth Object Chemical Analysis Mission (NEOCAM) is to obtain the ultraviolet spectra of meteors entering the terrestrial atmosphere from ˜125 to 300 nm in meteor showers. All of the spectra will be collected using a slitless ultraviolet spectrometer in Earth orbit. Analysis of these spectra will reveal the degree of chemical diversity in the meteors, as observed in a single meteor shower. Such meteors are traceable to a specific parent body and we know exactly when the meteoroids in a particular shower were released from that parent body (Asher, in: Arlt (ed.) Proc. International Meteor Conference, 2000; Lyytinen and van Flandern, Earth Moon Planets 82-83:149-166, 2000). By observing multiple apparitions of meteor showers we can therefore obtain quasi-stratigraphic information on an individual comet or asteroid. We might also be able to measure systematic effects of chemical weathering in meteoroids from specific parent bodies by looking for correlations in the depletions of the more volatile elements as a function of space exposure (Borovička et al., Icarus 174:15-30, 2005). By observing the relation between meteor entry characteristics (such as the rate of deceleration or breakup) and chemistry we can determine if our meteorite collection is deficient in the most volatile-rich samples. Finally, we can obtain a direct measurement of metal deposition into the terrestrial stratosphere that may act to catalyze atmospheric chemical reactions.

  10. Evaluation of risk assessment guideline levels for the chemical warfare agents mustard, GB, and VX.

    SciTech Connect

    Hartmann, H.; Environmental Assessment

    2002-06-01

    The U.S. Army has estimated acute lethality guideline levels for inhalation of the chemical warfare agents mustard, GB, and VX. These levels are expressed as dosages measured in milligram-minutes per cubic meter (mg-min/m3). The National Advisory Council has also proposed acute emergency guideline levels (AEGLs) for the agents. The AEGLs are threshold exposure limits for the general public for mild effects, serious adverse effects, and lethality. They are expressed as air concentrations (in units of mg/m3) and are applicable to emergency exposure periods ranging from 10 min to 8 h. The report discusses strengths and deficiencies in the levels, important parameters (i.e., exposure time, breathing rate) that need to be explicitly addressed in deriving the guideline levels, and possible impacts that could result from using AEGLs instead of guideline dosages in future assessments.

  11. Automating the analytical laboratory via the Chemical Analysis Automation paradigm

    SciTech Connect

    Hollen, R.; Rzeszutko, C.

    1997-10-01

    To address the need for standardization within the analytical chemistry laboratories of the nation, the Chemical Analysis Automation (CAA) program within the US Department of Energy, Office of Science and Technology`s Robotic Technology Development Program is developing laboratory sample analysis systems that will automate the environmental chemical laboratories. The current laboratory automation paradigm consists of islands-of-automation that do not integrate into a system architecture. Thus, today the chemist must perform most aspects of environmental analysis manually using instrumentation that generally cannot communicate with other devices in the laboratory. CAA is working towards a standardized and modular approach to laboratory automation based upon the Standard Analysis Method (SAM) architecture. Each SAM system automates a complete chemical method. The building block of a SAM is known as the Standard Laboratory Module (SLM). The SLM, either hardware or software, automates a subprotocol of an analysis method and can operate as a standalone or as a unit within a SAM. The CAA concept allows the chemist to easily assemble an automated analysis system, from sample extraction through data interpretation, using standardized SLMs without the worry of hardware or software incompatibility or the necessity of generating complicated control programs. A Task Sequence Controller (TSC) software program schedules and monitors the individual tasks to be performed by each SLM configured within a SAM. The chemist interfaces with the operation of the TSC through the Human Computer Interface (HCI), a logical, icon-driven graphical user interface. The CAA paradigm has successfully been applied in automating EPA SW-846 Methods 3541/3620/8081 for the analysis of PCBs in a soil matrix utilizing commercially available equipment in tandem with SLMs constructed by CAA.

  12. Comparison of sugar molecule decomposition through glucose and fructose: a high-level quantum chemical study.

    SciTech Connect

    Assary, R. S.; Curtiss, L. A.

    2012-02-01

    Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules

  13. The impact of plant chemical diversity on plant-herbivore interactions at the community level.

    PubMed

    Salazar, Diego; Jaramillo, Alejandra; Marquis, Robert J

    2016-08-01

    Understanding the role of diversity in ecosystem processes and species interactions is a central goal of ecology. For plant-herbivore interactions, it has been hypothesized that when plant species diversity is reduced, loss of plant biomass to herbivores increases. Although long-standing, this hypothesis has received mixed support. Increasing plant chemical diversity with increasing plant taxonomic diversity is likely to be important for plant-herbivore interactions at the community level, but the role of chemical diversity is unexplored. Here we assess the effect of volatile chemical diversity on patterns of herbivore damage in naturally occurring patches of Piper (Piperaceae) shrubs in a Costa Rican lowland wet forest. Volatile chemical diversity negatively affected total, specialist, and generalist herbivore damage. Furthermore, there were differences between the effects of high-volatility and low-volatility chemical diversity on herbivore damage. High-volatility diversity reduced specialist herbivory, while low-volatility diversity reduced generalist herbivory. Our data suggest that, although increased plant diversity is expected to reduce average herbivore damage, this pattern is likely mediated by the diversity of defensive compounds and general classes of anti-herbivore traits, as well as the degree of specialization of the herbivores attacking those plants. PMID:27129320

  14. Exploring Chemical Analysis, 1st Edition (by Daniel C. Harris)

    NASA Astrophysics Data System (ADS)

    Wright, John C.

    1998-01-01

    W. H. Freeman: New York, 1997. ISBN: 0716730421. $80.00. Daniel Harris's book Quantitative Chemical Analysis is one of the 1000-pound gorillas for introductory analytical chemistry, both because of its dominance in the field and its size and information content. Students find the writing informal, interesting, and clear. Faculty like the completeness of the book and its sound treatment of the subject matter. It contains everything that an introductory analytical course could possibly want. Daniel Harris's recent book, Exploring Chemical Analysis, is a tamed version of the 1000-pound gorilla for nonchemistry majors. Students will find the same informality, interest, and clarity as in the earlier text but they will also find the book a comfortable companion. Faculty will find an abbreviated but excellent treatment of the subject matter. It contains most of the things that an introductory nonmajors analytical course should want.

  15. Bioassay-directed chemical analysis in environmental research

    SciTech Connect

    Schuetzle, D.; Lewtas, J.

    1986-01-01

    The use of short-term bioassay tests in conjunction with analytical measurements, constitute a powerful tool for identifying important environmental contaminants. The authors have coined the terminology bioassay directed chemical analysis to best describe this marriage of analytical chemistry and biology. The objective of this methodology is to identify key compounds in various types of air-pollutant samples. Once that task is completed, studies on metabolism, sources, environmental exposure and atmospheric chemistry can be undertaken. The principles and methodologies for bioassay directed chemical analysis are presented and illustrated in this paper. Most of this work has been directed toward the characterization of ambient air and diesel particulates, which are used as examples in this report to illustrate the analytical logic used for identifying the bio-active components of complex mixtures.

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

    SciTech Connect

    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.

  17. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

    NASA Astrophysics Data System (ADS)

    Belianinov, Alex; Ganesh, Panchapakesan; Lin, Wenzhi; Sales, Brian C.; Sefat, Athena S.; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.

    2014-12-01

    Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1-xSex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.

  18. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

    SciTech Connect

    Belianinov, Alex; Panchapakesan, G.; Lin, Wenzhi; Sales, Brian C.; Sefat, Athena Safa; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.

    2014-12-02

    Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1 x Sex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.

  19. Analysis of the stochastic excitability in the flow chemical reactor

    SciTech Connect

    Bashkirtseva, Irina

    2015-11-30

    A dynamic model of the thermochemical process in the flow reactor is considered. We study an influence of the random disturbances on the stationary regime of this model. A phenomenon of noise-induced excitability is demonstrated. For the analysis of this phenomenon, a constructive technique based on the stochastic sensitivity functions and confidence domains is applied. It is shown how elaborated technique can be used for the probabilistic analysis of the generation of mixed-mode stochastic oscillations in the flow chemical reactor.

  20. Electrochemical approaches for chemical and biological analysis on Mars

    NASA Technical Reports Server (NTRS)

    Kounaves, Samuel P.

    2003-01-01

    Obtaining in situ chemical data from planetary bodies such as Mars or Europa can present significant challenges. The one analytical technique that has many of the requisite characteristics to meet such a challenge is electroanalysis. Described here are three electroanalytical devices designed for in situ geochemical and biological analysis on Mars. The Mars Environmental Compatibility Assessment (MECA) was built and flight qualified for the now cancelled NASA Mars 2001 Lander. Part of MECA consisted of four "cells" containing arrays of electrochemical based sensors for measuring the ionic species in soil samples. A next-generation MECA, the Robotic Chemical Analysis Laboratory (RCAL), uses a carousel-type system to allow for greater customization of analytical procedures. A second instrument, proposed as part of the 2007 CryoScout mission, consists of a flow-through inorganic chemical analyzer (MICA). CryoScout is a torpedo-like device designed for subsurface investigation of the stratigraphic climate record embedded in Mars' north polar cap. As the CryoScout melts its way through the ice cap, MICA will collect and analyze the meltwater for a variety of inorganics and chemical parameters. By analyzing the chemistry locked in the layers of dust, salt, and ice, geologists will be able to determine the recent history of climate, water, and atmosphere on Mars and link it to the past. Finally, electroanalysis shows its abilities in the detection of possible microorganism on Mars or elsewhere in the solar system. To identify an unknown microorganism, one that may not even use Earth-type biochemistry, requires a detection scheme which makes minimal assumptions and looks for the most general features. Recent work has demonstrated that the use of an array of electrochemical sensors which monitors the changes in a solution via electrical conductivity, pH, and ion selective electrodes, can be used to detect minute chemical perturbations caused by the growth of bacteria and

  1. Electrochemical approaches for chemical and biological analysis on Mars.

    PubMed

    Kounaves, Samuel P

    2003-02-17

    Obtaining in situ chemical data from planetary bodies such as Mars or Europa can present significant challenges. The one analytical technique that has many of the requisite characteristics to meet such a challenge is electroanalysis. Described here are three electroanalytical devices designed for in situ geochemical and biological analysis on Mars. The Mars Environmental Compatibility Assessment (MECA) was built and flight qualified for the now cancelled NASA Mars 2001 Lander. Part of MECA consisted of four "cells" containing arrays of electrochemical based sensors for measuring the ionic species in soil samples. A next-generation MECA, the Robotic Chemical Analysis Laboratory (RCAL), uses a carousel-type system to allow for greater customization of analytical procedures. A second instrument, proposed as part of the 2007 CryoScout mission, consists of a flow-through inorganic chemical analyzer (MICA). CryoScout is a torpedo-like device designed for subsurface investigation of the stratigraphic climate record embedded in Mars' north polar cap. As the CryoScout melts its way through the ice cap, MICA will collect and analyze the meltwater for a variety of inorganics and chemical parameters. By analyzing the chemistry locked in the layers of dust, salt, and ice, geologists will be able to determine the recent history of climate, water, and atmosphere on Mars and link it to the past. Finally, electroanalysis shows its abilities in the detection of possible microorganism on Mars or elsewhere in the solar system. To identify an unknown microorganism, one that may not even use Earth-type biochemistry, requires a detection scheme which makes minimal assumptions and looks for the most general features. Recent work has demonstrated that the use of an array of electrochemical sensors which monitors the changes in a solution via electrical conductivity, pH, and ion selective electrodes, can be used to detect minute chemical perturbations caused by the growth of bacteria and

  2. Stabilization of lead-rich low-level mixed wastes in chemically bonded phosphate ceramic.

    SciTech Connect

    Jeong, S.-Y.

    1999-08-10

    A chemically bonded magnesium potassium phosphate ceramic has been developed by an acid-base reaction at room temperature, for use in stabilizing U.S. Department of Energy low-level mixed waste streams that include hazardous metals and low-level radioactive elements. Using this ceramic, we solidified, in monolithic waste forms, low-level mixed waste streams containing various levels of PbCl{sub 2} and PbCO{sub 3}. These final waste forms were evaluated for their land disposal suitability. The results showed low open porosity (1.48-4.61 vol.%); hence, low permeability, and higher compression strengths (4310-6734 psi) that were one order of magnitude above that required. The level of lead in the leachate following the Toxicity Characteristic Leaching Procedure test was reduced from 50,000 to <0.1 ppm. Leachability indexes from the long-term leaching test (ANS 16.1 test) were between 11.9 and 13.6. This excellent lead retention is due to its chemical fixation as insoluble lead phosphate and to physical encapsulation by the phosphate matrix.

  3. Application of Surface Chemical Analysis Tools for Characterization of Nanoparticles

    SciTech Connect

    Baer, Donald R.; Gaspar, Daniel J.; Nachimuthu, Ponnusamy; Techane, Sirnegeda D.; Castner, David G.

    2010-02-01

    The important role that surface chemical analysis methods can and should play in the characterization of nanoparticles is described. The types of information that can be obtained from analysis of nanoparticles using Auger electron spectroscopy (AES); X-ray photoelectron spectroscopy (XPS); time of flight secondary ion mass spectrometry (TOF-SIMS); low energy ion scattering (LEIS); and scanning probe microscopy (SPM), including scanning tunneling microscopy (STM) and atomic force microscopy (AFM), are briefly summarized. Examples describing the characterization of engineered nanoparticles are provided. Specific analysis considerations and issues associated with using surface analysis methods for the characterization of nanoparticles are discussed and summarized, along with the impact that shape instability, environmentally induced changes, deliberate and accidental coating, etc., have on nanoparticle properties.

  4. Application of Surface Chemical Analysis Tools for Characterization of Nanoparticles

    PubMed Central

    Baer, DR; Gaspar, DJ; Nachimuthu, P; Techane, SD; Castner, DG

    2010-01-01

    The important role that surface chemical analysis methods can and should play in the characterization of nanoparticles is described. The types of information that can be obtained from analysis of nanoparticles using Auger electron spectroscopy (AES); X-ray photoelectron spectroscopy (XPS); time of flight secondary ion mass spectrometry (TOF-SIMS); low energy ion scattering (LEIS); and scanning probe microscopy (SPM), including scanning tunneling microscopy (STM) and atomic force microscopy (AFM), are briefly summarized. Examples describing the characterization of engineered nanoparticles are provided. Specific analysis considerations and issues associated with using surface analysis methods for the characterization of nanoparticles are discussed and summarized, along with the impact that shape instability, environmentally induced changes, deliberate and accidental coating, etc., have on nanoparticle properties. PMID:20052578

  5. Analysis of magnetic field levels at KSC

    NASA Technical Reports Server (NTRS)

    Christodoulou, Christos G.

    1994-01-01

    The scope of this work is to evaluate the magnetic field levels of distribution systems and other equipment at Kennedy Space Center (KSC). Magnetic fields levels in several operational areas and various facilities are investigated. Three dimensional mappings and contour are provided along with the measured data. Furthermore, the portion of magnetic fields generated by the 60 Hz fundamental frequency and the portion generated by harmonics are examined. Finally, possible mitigation techniques for attenuating fields from electric panels are discussed.

  6. Kojak: Efficient analysis of chemically cross-linked protein complexes

    PubMed Central

    Hoopmann, Michael R.; Zelter, Alex; Johnson, Richard S.; Riffle, Michael; MacCoss, Michael J.; Davis, Trisha N.; Moritz, Robert L.

    2015-01-01

    Protein chemical cross-linking and mass spectrometry enable the analysis of protein-protein interactions and protein topologies, however complicated cross-linked peptide spectra require specialized algorithms to identify interacting sites. The Kojak cross-linking software application is a new, efficient approach to identify cross-linked peptides, enabling large-scale analysis of protein-protein interactions by chemical cross-linking techniques. The algorithm integrates spectral processing and scoring schemes adopted from traditional database search algorithms, and can identify cross-linked peptides using many different chemical cross-linkers, with or without heavy isotope labels. Kojak was used to analyze both novel and existing datasets, and was compared with existing cross-linking algorithms. The algorithm provided increased cross-link identifications over existing algorithms, and equally importantly, the results in a fraction of computational time. The Kojak algorithm is open-source, cross-platform, and freely available. This software provides both existing and new cross-linking researchers alike an effective way to derive additional cross-link identifications from new or existing datasets. For new users, it provides a simple analytical resource resulting in more cross-link identifications than other methods. PMID:25812159

  7. Chemical analysis of Panax quinquefolius (North American ginseng): A review.

    PubMed

    Wang, Yaping; Choi, Hyung-Kyoon; Brinckmann, Josef A; Jiang, Xue; Huang, Linfang

    2015-12-24

    Panax quinquefolius (PQ) is one of the best-selling natural health products due to its proposed beneficial anti-aging, anti-cancer, anti-stress, anti-fatigue, and anxiolytic effects. In recent years, the quality of PQ has received considerable attention. Sensitive and accurate methods for qualitative and quantitative analyses of chemical constituents are necessary for the comprehensive quality control to ensure the safety and efficacy of PQ. This article reviews recent progress in the chemical analysis of PQ and its preparations. Numerous analytical techniques, including spectroscopy, thin-layer chromatography (TLC), gas chromatography (GC), high-performance liquid chromatography (HPLC), liquid chromatography/mass spectrometry (LC/MS), high-speed centrifugal partition chromatography (HSCPC), high-performance counter-current chromatography (HPCCC), nuclear magnetic resonance spectroscopy (NMR), and immunoassay, are described. Among these techniques, HPLC coupled with mass spectrometry (MS) is the most promising method for quality control. The challenges encountered in the chemical analysis of PQ are also briefly discussed, and the remaining questions regarding the quality control of PQ that require further investigation are highlighted. PMID:26643719

  8. VHH antibodies: emerging reagents for the analysis of environmental chemicals.

    PubMed

    Bever, Candace S; Dong, Jie-Xian; Vasylieva, Natalia; Barnych, Bogdan; Cui, Yongliang; Xu, Zhen-Lin; Hammock, Bruce D; Gee, Shirley J

    2016-09-01

    A VHH antibody (or nanobody) is the antigen binding fragment of heavy chain only antibodies. Discovered nearly 25 years ago, they have been investigated for their use in clinical therapeutics and immunodiagnostics, and more recently for environmental monitoring applications. A new and valuable immunoreagent for the analysis of small molecular weight environmental chemicals, VHH will overcome many pitfalls encountered with conventional reagents. In the work so far, VHH antibodies often perform comparably to conventional antibodies for small molecule analysis, are amenable to numerous genetic engineering techniques, and show ease of adaption to other immunodiagnostic platforms for use in environmental monitoring. Recent reviews cover the structure and production of VHH antibodies as well as their use in clinical settings. However, no report focuses on the use of these VHH antibodies to detect small environmental chemicals (MW < 1500 Da). This review article summarizes the efforts made to produce VHHs to various environmental targets, compares the VHH-based assays with conventional antibody assays, and discusses the advantages and limitations in developing these new antibody reagents particularly to small molecule targets. Graphical Abstract Overview of the production of VHHs to small environmental chemicals and highlights of the utility of these new emerging reagents. PMID:27209591

  9. Tip enhanced Raman scattering: plasmonic enhancements for nanoscale chemical analysis

    NASA Astrophysics Data System (ADS)

    Schultz, Zachary D.; Marr, James M.; Wang, Hao

    2014-04-01

    Tip enhanced Raman scattering (TERS) is an emerging technique that uses a metalized scanning probe microscope tip to spatially localize electric fields that enhances Raman scattering enabling chemical imaging on nanometer dimensions. Arising from the same principles as surface enhanced Raman scattering (SERS), TERS offers unique advantages associated with controling the size, shape, and location of the enhancing nanostructure. In this article we discuss the correlations between current understanding of SERS and how this relates to TERS, as well as how TERS provides new understanding and insights. The relationship between plasmon resonances and Raman enhancements is emphasized as the key to obtaining optimal TERS results. Applications of TERS, including chemical analysis of carbon nanotubes, organic molecules, inorganic crystals, nucleic acids, proteins, cells and organisms, are used to illustrate the information that can be gained. Under ideal conditions TERS is capable of single molecule sensitivity and sub-nanometer spatial resolution. The ability to control plasmonic enhancements for chemical analysis suggests new experiments and opportunities to understand molecular composition and interactions on the nanoscale.

  10. LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.

    1994-01-01

    LSENS has been developed for solving complex, homogeneous, gas-phase, chemical kinetics problems. The motivation for the development of this program is the continuing interest in developing detailed chemical reaction mechanisms for complex reactions such as the combustion of fuels and pollutant formation and destruction. A reaction mechanism is the set of all elementary chemical reactions that are required to describe the process of interest. Mathematical descriptions of chemical kinetics problems constitute sets of coupled, nonlinear, first-order ordinary differential equations (ODEs). The number of ODEs can be very large because of the numerous chemical species involved in the reaction mechanism. Further complicating the situation are the many simultaneous reactions needed to describe the chemical kinetics of practical fuels. For example, the mechanism describing the oxidation of the simplest hydrocarbon fuel, methane, involves over 25 species participating in nearly 100 elementary reaction steps. Validating a chemical reaction mechanism requires repetitive solutions of the governing ODEs for a variety of reaction conditions. Analytical solutions to the systems of ODEs describing chemistry are not possible, except for the simplest cases, which are of little or no practical value. Consequently, there is a need for fast and reliable numerical solution techniques for chemical kinetics problems. In addition to solving the ODEs describing chemical kinetics, it is often necessary to know what effects variations in either initial condition values or chemical reaction mechanism parameters have on the solution. Such a need arises in the development of reaction mechanisms from experimental data. The rate coefficients are often not known with great precision and in general, the experimental data are not sufficiently detailed to accurately estimate the rate coefficient parameters. The development of a reaction mechanism is facilitated by a systematic sensitivity analysis

  11. Heavy metal levels and physico--chemical quality of potable water supply in Warri, Nigeria.

    PubMed

    Nduka, J K C; Orisakwe, O E

    2007-09-01

    The interaction between man's activities and the environment is gaining world wide attention. Warri an oil producing community in Delta State of Nigeria is faced with environmental oil pollution. Since open and underground water bodies are regarded as final recipients of most environmental pollutants, this study sought to provide data on the levels of the physico-chemical parameters and contaminants in Warri metropolitan water supply. This study investigated the cadmium, lead and chromium using Atomic Absorption Spectrophotometer, physico-chemical properties such as pH, temperature, total suspended solid TSS, total dissolved solid TDS, electrical conductivity EC, biological oxygen demand BOD, dissolved oxygen DO, chemical oxygen demand COD, and total coliform count of potable water sources in Warri. Ekpan River was found to have 1.2 mg/L of cadmium, 1.0 mg/L of chromium, 1.20 mg/L of lead and 2.0 mg/L of manganese. The heavy metals levels and the pollution parameters were lowest in the borehole water samples, except pH which is more acidic in borehole water samples and conductivity which is more in well water samples in all the sampling stations. Some of the parameters were above WHO standards. PMID:17970302

  12. White paper: Neuropsychiatric aspects of sensitivity to low-level chemicals: a neural sensitization model.

    PubMed

    Bell, I R

    1994-01-01

    The present paper summarizes the proposed time-dependent sensitization (TDS) and partial limbic kindling model for illness from low-level chemicals; reviews and critiques prior studies on CNS aspects of multiple chemical sensitivity (MCS); and outlines possible experimental approaches to future studies. TDS is the progressive and persistent amplification of behavioral, neurochemical, endocrine, and/or immunological responses to repeated intermittent stimuli over time. Partial limbic kindling is a progressive and persistent lowering of the threshold for eliciting electrical afterdischarges, but not motor seizures, in certain brain structures such as amygdala and hippocampus; behavioral consequences include increased avoidant behaviors. The focus of the paper is the controversial claim of altered sense of smell and illness from low levels of environmental chemicals (i.e., "cacosmia"), levels that should not have any biologically harmful effects by the rules of classical neurotoxicology. A major perspective of this paper is that the phenomenology of MCS is similar to that of time-dependent sensitization (reverse tolerance) and tolerance as studied in the substance abuse literature. The TDS model for MCS proposes that neurobiological amplification underlies the symptoms and phenomenology of these patients, including their behavioral features of heightened affective and somatic distress. It is hypothesized that MCS patients, who are mostly women, may be individuals who sensitize to substances rapidly and to the extreme, to the point of aversive symptomatology with less complete capacity for development of tolerance. Possible parallels between MCS and TDS include: (a) initiation by single or multiple intermittent stimuli; (b) lasting changes in subsequent reactivity to low levels of chemically unrelated substances; (c) cross-sensitization between the stressors and pharmacological agents; (d) greater vulnerability of individuals who are female, who have certain genetic

  13. Level of Occupational Aspiration: An Empirical Analysis

    ERIC Educational Resources Information Center

    Haller, Archibald; And Others

    1974-01-01

    Data from 34,118 American high school students were used to determine patterns of responses to an indicator of level of occupational aspiration (LOA). LOA was found to be a general dimension composed of idealistic-realistic goal-region aspects and of short-and long-term temporal aspects. LOA response patterns were essentially the same for both…

  14. Accuracy and performance analysis of digital levels

    NASA Astrophysics Data System (ADS)

    Skeivalas, Jonas; Giniotis, V.

    2005-02-01

    Optical-electronic leveling devices using a staff with bar codes are discussed. The reading of the staff is taken along its longitudinal axis; the distance to the staff and its vertical position are determined by the readings of a translational transducer connected to the optical system during its focusing on the bars of the staff. The height is determined according to coded signals of the image of the bars transferred into an array of photoelectric cells in the instrument and processed by a microprocessor to the height values. Three main types of image processing are used in various types of digital levels: a correlation method, a geometric method, and a phase method. The correlation functions of measuring and reference codes in the electronic level are calculated in this paper, showing possible errors of height determination. The information obtained during the measurement shows the relationship between the information entropy received from different values of readings from the staff. A new digital level design is proposed, simplifying the design of the instrument and the staff as well. The principal correlation and error determination equations are given, and diagrams of the new design are included.

  15. Microcosm procedure for determining safe levels of chemical exposure in shallow-water communities

    SciTech Connect

    Giddings, J.M.

    1985-01-01

    This paper describes a method for determining safe levels of chemical exposure in shallow-water communities, using laboratory microcosms as test subjects. The safe level is considered to be the maximum exposure that causes no persistent, ecologically significant changes in the ecosystem. In experiments completed at Oak Ridge National Laboratory, microcosm-derived estimates of safe exposure levels were confirmed using outdoor artificial ponds, which suggests that the microcosm procedure can be an efficient and economical means of determining safe levels for shallow-water communities. Details of microcosm construction, techniques for monitoring ecological variables in microcosms, and an experimental design for determining safe exposure levels are provided here. The microcosms are assembled by transferring components of natural ecosystems to 80-litre aquaria in a controlled laboratory environment. The communities that develop in these systems are typically dominated by common, cosmopolitan littoral species of macrophytes, algae, and invertebrates. Methods are described for measuring changes in water chemistry, phytoplankton, periphyton, macrophytes, zooplankton, and ecosystem production and respiration. By monitoring these variables over a gradient of pollutant exposure levels, the safe level can be determined accurately and precisely. 16 refs., 2 figs.

  16. Music Video: An Analysis at Three Levels.

    ERIC Educational Resources Information Center

    Burns, Gary

    This paper is an analysis of the different aspects of the music video. Music video is defined as having three meanings: an individual clip, a format, or the "aesthetic" that describes what the clips and format look like. The paper examines interruptions, the dialectical tension and the organization of the work of art, shot-scene sequence, and…

  17. The impact of chlorine disinfection on biochemical oxygen demand levels in chemically enhanced primary treatment effluent.

    PubMed

    Dai, Ji; Jiang, Feng; Shang, Chii; Chau, Kwok-ming; Tse, Yuet-kar; Lee, Chi-fai; Chen, Guang-Hao; Fang, Jingyun; Zhai, Liming

    2013-01-01

    The response trends of biochemical oxygen demand (BOD) and organic strength after the chlorination/dechlorination process were explored through a 2-year, 5-month chemically enhanced primary treatment (CEPT) effluent onsite monitoring program and a 2-month laboratory-scale study. The monitoring results showed that better instantaneous mixing at the chlorine injection point reduced the effect of chlorination/dechlorination on the 5-day BOD levels. The laboratory study results demonstrated that chlorination did not change the particle size distribution, dissolved organic carbon, or chemical oxygen demand of the organic content of the effluent. Nevertheless, chlorination/dechlorination strongly affected the BOD measurement when nitrification was inhibited by changing bioactivity/biodegradation rates. PMID:23863431

  18. Do high school chemistry examinations inhibit deeper level understanding of dynamic reversible chemical reactions?

    NASA Astrophysics Data System (ADS)

    Wheeldon, R.; Atkinson, R.; Dawes, A.; Levinson, R.

    2012-07-01

    Background and purpose : Chemistry examinations can favour the deployment of algorithmic procedures like Le Chatelier's Principle (LCP) rather than reasoning using chemical principles. This study investigated the explanatory resources which high school students use to answer equilibrium problems and whether the marks given for examination answers require students to use approaches beyond direct application of LCP. Sample : The questionnaire was administered to 162 students studying their first year of advanced chemistry (age 16/17) in three high achieving London high schools. Design and methods : The students' explanations of reversible chemical systems were inductively coded to identify the explanatory approaches used and interviews with 13 students were used to check for consistency. AS level examination questions on reversible reactions were analysed to identify the types of explanations sought and the students' performance in these examinations was compared to questionnaire answers. Results : 19% of students used a holistic explanatory approach: when the rates of forward and reverse reactions are correctly described, recognising their simultaneous and mutually dependent nature. 36% used a mirrored reactions approach when the connected nature of the forward and reverse reactions is identified, but not their mutual dependency. 42% failed to recognize the interdependence of forward and reverse reactions (reactions not connected approach). Only 4% of marks for AS examination questions on reversible chemical systems asked for responses which went beyond either direct application of LCP or recall of equilibrium knowledge. 37% of students attained an A grade in their AS national examinations. Conclusions : Examinations favour the application of LCP making it possible to obtain the highest grade with little understanding of reversible chemical systems beyond a direct application of this algorithm. Therefore students' understanding may be attenuated so that they are

  19. Introducing Graduate Students to the Chemical Information Landscape: The Ongoing Evolution of a Graduate-Level Chemical Information Course

    ERIC Educational Resources Information Center

    Currano, Judith N.

    2016-01-01

    The University of Pennsylvania's doctoral chemistry curriculum has included a required course in chemical information since 1995. Twenty years later, the course has evolved from a loosely associated series of workshops on information resources to a holistic examination of the chemical literature and its place in the general research process. The…

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

    EPA Science Inventory

    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...

  1. Crystal-Chemical Analysis of Soil at Rocknest, Gale Crater

    NASA Technical Reports Server (NTRS)

    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.; Gellert, R.; Achilles, C. N.; Rampe, E. B.; Bristow, T. F.; Crisp, J. A.; Sarrazin, P. C.; DesMarais, D. J.; Morookian, J. M.; Anderson, R. C.

    2013-01-01

    The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analysis on Martian soil [1] at Rocknest in Gale Crater. In particular, crystalline phases from scoop 5 were identified and analyzed with the Rietveld method [2]. Refined unit-cell parameters are reported in Table 1. Comparing these unit-cell parameters with those in the literature provides an estimate of the chemical composition of the crystalline phases. For instance, Fig. 1 shows the Mg-content of Fa-Fo olivine as a function of the b unit-cell parameter using literature data. Our refined b parameter is indicated by the black triangle.

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

    NASA Astrophysics Data System (ADS)

    Bharti, Amardeep; Singh, Suman; Singla, M. L.; Goyal, Navdeep

    2015-08-01

    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).

  3. Chemical pathway analysis of Titan's upper atmosphere: Oxygen species

    NASA Astrophysics Data System (ADS)

    Stock, J. W.; Lara, L. M.; Lehmann, R.

    2014-04-01

    CO, CO2, and H2O are the only oxygen bearing species in Titan's atmosphere which have been clearly detected so far. Their abundances are controlled by the interaction of external and internal sources, photochemistry and condensation. In this contribution, we determine all significant chemical pathways responsible for the production and consumption of CO, CO2, and H2O. Furthermore, we investigate the effects of different oxygen sources on the efficiencies of the pathways. In order to achieve this, we apply a unique algorithm, called the Pathway Analysis Program - PAP to the results of a 1D photochemical model of Titan's atmosphere.

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

    SciTech Connect

    Bharti, Amardeep Goyal, Navdeep; Singh, Suman; Singla, M. L.

    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)

  5. Fixation and chemical analysis of single fog and rain droplets

    NASA Astrophysics Data System (ADS)

    Kasahara, M.; Akashi, S.; Ma, C.-J.; Tohno, S.

    Last decade, the importance of global environmental problems has been recognized worldwide. Acid rain is one of the most important global environmental problems as well as the global warming. The grasp of physical and chemical properties of fog and rain droplets is essential to make clear the physical and chemical processes of acid rain and also their effects on forests, materials and ecosystems. We examined the physical and chemical properties of single fog and raindrops by applying fixation technique. The sampling method and treatment procedure to fix the liquid droplets as a solid particle were investigated. Small liquid particles like fog droplet could be easily fixed within few minutes by exposure to cyanoacrylate vapor. The large liquid particles like raindrops were also fixed successively, but some of them were not perfect. Freezing method was applied to fix the large raindrops. Frozen liquid particles existed stably by exposure to cyanoacrylate vapor after freezing. The particle size measurement and the elemental analysis of the fixed particle were performed in individual base using microscope, and SEX-EDX, particle-induced X-ray emission (PIXE) and micro-PIXE analyses, respectively. The concentration in raindrops was dependent upon the droplet size and the elapsed time from the beginning of rainfall.

  6. International Mussel Watch: A global assessment of environmental levels of chemical contaminants

    SciTech Connect

    Not Available

    1992-01-01

    The primary goal of the International Mussel Watch is to ascertain and assess the levels of chlorinated hydrocarbon pesticide (CHP) and polychlorinated biphenyls (PCB) in bivalves collected from coastal marine waters throughout the world. Increased use of these persistent toxic biocides may result in contamination of living coastal resources from whole ecosystems to specific food resources with consequent implication for human health and the integrity of marine communities. Another goal for the International Mussel Watch Project will be to help develop a sustainable activity for observation and monitoring chemical contamination in especially susceptible regions of the world's oceans.

  7. Developing behavior analysis at the state level

    PubMed Central

    Johnston, J. M.; Shook, Gerald L.

    1987-01-01

    Over the past fifteen years, behavior analysts in Florida have worked together to develop the discipline with a multifaceted system of contingencies. Basing their effort in the area of retardation and with the cooperation of the state's Developmental Services Program Office, they have gradually developed a regulatory manual of programming policy and procedures, a hierarchical system of responsibilities for programming approval and monitoring, a state-sponsored certification program, a professional association, and an active university community. These components are described and discussed in terms of suggested principles for developing the field of behavior analysis within a state. PMID:22477979

  8. Reevaluation of 1999 Health-Based Environmental Screening Levels (HBESLs) for Chemical Warfare Agents

    SciTech Connect

    Watson, Annetta Paule; Dolislager, Fredrick G

    2007-05-01

    This report evaluates whether new information and updated scientific models require that changes be made to previously published health-based environmental soil screening levels (HBESLs) and associated environmental fate/breakdown information for chemical warfare agents (USACHPPM 1999). Specifically, the present evaluation describes and compares changes that have been made since 1999 to U.S. Environmental Protection Agency (EPA) risk assessment models, EPA exposure assumptions, as well as to specific chemical warfare agent parameters (e.g., toxicity values). Comparison was made between screening value estimates recalculated with current assumptions and earlier health-based environmental screening levels presented in 1999. The chemical warfare agents evaluated include the G-series and VX nerve agents and the vesicants sulfur mustard (agent HD) and Lewisite (agent L). In addition, key degradation products of these agents were also evaluated. Study findings indicate that the combined effect of updates and/or changes to EPA risk models, EPA default exposure parameters, and certain chemical warfare agent toxicity criteria does not result in significant alteration to the USACHPPM (1999) health-based environmental screening level estimates for the G-series and VX nerve agents or the vesicant agents HD and L. Given that EPA's final position on separate Tier 1 screening levels for indoor and outdoor worker screening assessments has not yet been released as of May 2007, the study authors find that the 1999 screening level estimates (see Table ES.1) are still appropriate and protective for screening residential as well as nonresidential sites. As such, risk management decisions made on the basis of USACHPPM (1999) recommendations do not require reconsideration. While the 1999 HBESL values are appropriate for continued use as general screening criteria, the updated '2007' estimates (presented below) that follow the new EPA protocols currently under development are also

  9. Simple Low Level Features for Image Analysis

    NASA Astrophysics Data System (ADS)

    Falcoz, Paolo

    As human beings, we perceive the world around us mainly through our eyes, and give what we see the status of “reality”; as such we historically tried to create ways of recording this reality so we could augment or extend our memory. From early attempts in photography like the image produced in 1826 by the French inventor Nicéphore Niépce (Figure 2.1) to the latest high definition camcorders, the number of recorded pieces of reality increased exponentially, posing the problem of managing all that information. Most of the raw video material produced today has lost its memory augmentation function, as it will hardly ever be viewed by any human; pervasive CCTVs are an example. They generate an enormous amount of data each day, but there is not enough “human processing power” to view them. Therefore the need for effective automatic image analysis tools is great, and a lot effort has been put in it, both from the academia and the industry. In this chapter, a review of some of the most important image analysis tools are presented.

  10. Statistical analysis of low level atmospheric turbulence

    NASA Technical Reports Server (NTRS)

    Tieleman, H. W.; Chen, W. W. L.

    1974-01-01

    The statistical properties of low-level wind-turbulence data were obtained with the model 1080 total vector anemometer and the model 1296 dual split-film anemometer, both manufactured by Thermo Systems Incorporated. The data obtained from the above fast-response probes were compared with the results obtained from a pair of Gill propeller anemometers. The digitized time series representing the three velocity components and the temperature were each divided into a number of blocks, the length of which depended on the lowest frequency of interest and also on the storage capacity of the available computer. A moving-average and differencing high-pass filter was used to remove the trend and the low frequency components in the time series. The calculated results for each of the anemometers used are represented in graphical or tabulated form.

  11. A modular approach for automated sample preparation and chemical analysis

    NASA Technical Reports Server (NTRS)

    Clark, Michael L.; Turner, Terry D.; Klingler, Kerry M.; Pacetti, Randolph

    1994-01-01

    Changes in international relations, especially within the past several years, have dramatically affected the programmatic thrusts of the U.S. Department of Energy (DOE). The DOE now is addressing the environmental cleanup required as a result of 50 years of nuclear arms research and production. One major obstacle in the remediation of these areas is the chemical determination of potentially contaminated material using currently acceptable practices. Process bottlenecks and exposure to hazardous conditions pose problems for the DOE. One proposed solution is the application of modular automated chemistry using Standard Laboratory Modules (SLM) to perform Standard Analysis Methods (SAM). The Contaminant Analysis Automation (CAA) Program has developed standards and prototype equipment that will accelerate the development of modular chemistry technology and is transferring this technology to private industry.

  12. A method for quantitative wet chemical analysis of urinary calculi.

    PubMed

    Larsson, L; Sörbo, B; Tiselius, H G; Ohman, S

    1984-06-27

    We describe a simple method for quantitative chemical analysis of urinary calculi requiring no specialized equipment. Pulverized calculi are dried over silica gel at room temperature and dissolved in nitric acid, which was the only effective agent for complete dissolution. Calcium, magnesium, ammonium, and phosphate are then determined by conventional methods. Oxalate is determined by a method based on the quenching action of oxalate on the fluorescence of a zirconium-flavonol complex. Uric acid, when treated with nitric acid, is stoichiometrically converted to alloxan, which is determined fluorimetrically with 1,2-phenylenediamine. Similarly, cystine is oxidized by nitric acid to sulfate, which is determined turbidimetrically as barium sulfate. Protein is determined spectrophotometrically as xanthoprotein. The total mass recovery of authentic calculi was 92.2 +/- 6.7 (SD) per cent. The method permits analysis of calculi as small as 1.0 mg. Internal quality control is performed with specially designed control samples. PMID:6086179

  13. How does plant chemical diversity contribute to biodiversity at higher trophic levels?

    PubMed

    Schuman, Meredith C; van Dam, Nicole M; Beran, Franziska; Harpole, W Stanley

    2016-04-01

    Plants, perhaps Earth's most accomplished chemists, produce thousands of specialized metabolites having no direct role in cell division or growth. These phytochemicals vary by taxon, with many taxa producing characteristic substance classes; and within taxa, with individual variation in structural variety and production patterns. Observations of corresponding variation in herbivore metabolism, behavior, and diet breadth motivated the development of chemical ecology research. We discuss the importance of plant biodiversity in general and phytochemical diversity in particular for biodiversity and ecological interactions at higher trophic levels. We then provide an overview of the descriptive, molecular and analytical tools which allow modern biologists to investigate phytochemical diversity and its effects on higher trophic levels, from physiological mechanisms to ecological communities. PMID:27436646

  14. Pyrochemical treatment of Idaho Chemical Processing Plant high-level waste calcine

    SciTech Connect

    Todd, T.A.; DelDebbio, J.A.; Nelson, L.O.; Sharpsten, M.R.

    1993-06-01

    The Idaho Chemical Processing Plant (ICPP), located at the Idaho National Engineering Laboratory (INEL), has reprocessed irradiated nuclear fuels for the US Department of Energy (DOE) since 1951 to recover uranium, krypton-85, and isolated fission products for interim treatment and immobilization. The acidic radioactive high-level liquid waste (HLLW) is routinely stored in stainless steel tanks and then, since 1963, calcined to form a dry granular solid. The resulting high-level waste (HLW) calcine is stored in seismically hardened stainless steel bins that are housed in underground concrete vaults. A research and development program has been established to determine the feasibility of treating ICPP HLW calcine using pyrochemical technology.This technology is described.

  15. Protection of low density lipoprotein oxidation at chemical and cellular level by the antioxidant drug dipyridamole.

    PubMed Central

    Iuliano, L.; Colavita, A. R.; Camastra, C.; Bello, V.; Quintarelli, C.; Alessandroni, M.; Piovella, F.; Violi, F.

    1996-01-01

    1. The oxidative modification of low density lipoprotein (LDL) is thought to be an important factor in the initiation and development of atherosclerosis. Natural and synthetic antioxidants have been shown to protect LDL from oxidation and to inhibit atherosclerosis development in animals. Synthetic antioxidants are currently being tested, by they are not necessarily safe for human use. 2. We have previously reported that dipyridamole, currently used in clinical practice, is a potent scavenger of free radicals. Thus, we tested whether dipyridamole could affect LDL oxidation at chemical and cellular level. 3. Chemically induced LDL oxidation was made by Cu(II), Cu(II) plus hydrogen peroxide or peroxyl radicals generated by thermolysis of 2,2'-azo-bis(2-amidino propane). Dipyridamole, (1-10 microM), inhibited LDL oxidation as monitored by diene formation, evolution of hydroperoxides and thiobarbituric acid reactive substances, apoprotein modification and by the fluorescence of cis-parinaric acid. 4. The physiological relevance of the antioxidant activity was validated by experiments at the cellular level where dipyridamole inhibited endothelial cell-mediated LDL oxidation, their degradation by monocytes, and cytotoxicity. 5. In comparison with ascorbic acid, alpha-tocopherol and probucol, dipyridamole was the more efficient antioxidant with the following order of activity: dipyridamole > probucol > ascorbic acid > alpha-tocopherol. The present study shows that dipyridamole inhibits oxidation of LDL at pharmacologically relevant concentrations. The inhibition of LDL oxidation is unequivocally confirmed by use of three different methods of chemical oxidation, by several methods of oxidation monitoring, and the pharmacological relevance is demonstrated by the superiority of dipyridamole over the naturally occurring antioxidants, ascorbic acid and alpha-tocopherol and the synthetic antioxidant probucol. Images Figure 6 PMID:8968553

  16. Chemical characterization, leach, and adsorption studies of solidified low-level wastes

    SciTech Connect

    Walter, M.B.; Serne, R.J.; Jones, T.L.; McLaurine, S.B.

    1986-12-01

    Laboratory and field leaching experiments are beig conducted by Pacific Northwest Laboratory (PNL) to investigate the performance of solidified low-level nuclear waste in a typical, arid, near-surface disposal site. Under PNL's Special Waste Form Lysimeters-Arid Program, a field test facility was constructed to monitor the leaching of commercial solidified waste. Laboratory experiments were conducted to investigate the leaching and adsorption characteristics of the waste forms in contact with soil. Liquid radioactive wastes solidified in cement, vinyl ester-styrene, and bitumen were obtained from commercial boiling water and pressurized water reactors, and buried in a field leaching facility on the Hanford site in southeastern Washington State. Batch leaching, soil column adsorption, and soil/waste form column experiments were conducted in the laboratory, using small-scale cement waste forms and Hanford site ground water. The purpose of these experiments is to evaluate the ability of laboratory leaching tests to predict leaching under actual field conditions and to determine which mechanisms (i.e., diffusion, solubility, adsorption) actually control the concentration of radionuclides in the soil surrounding the waste form. Chemical and radionuclide analyses performed on samples collected from the field and laboratory experiments indicate strong adsorption of /sup 134,137/Cs and /sup 85/Sr onto the Hanford site sediment. Small amounts of /sup 60/Co are leached from the waste forms as very mobile species. Some /sup 60/Co migrated through the soil at the same rate as water. Chemical constituents present in the reactor waste streams also found at elevated levels in the field and laboratory leachates include sodium, sulfate, magnesium, and nitrate. Plausible solid phases that could be controlling some of the chemical and radionuclide concentrations in the leachate were identified using the MINTEQ geochemical computer code.

  17. Strongly correlated valence electrons and core-level chemical bonding of Lithium at terapascal pressures

    NASA Astrophysics Data System (ADS)

    Hu, Anguang; Zhang, Fan

    2015-03-01

    As the simplest pure metal, lithium exhibits some novel properties on electrical conductivity and crystal structures under high pressure. All-electron density functional theory simulations, recently developed by using the linear combination of localized Slater atomic orbitals, revealed that the bandwidth of its valence bands remains almost unchanged within about 3.5 eV even up to a terapascal pressure range. This indicates that the development from delocalized to strongly correlated electronic systems takes place under compression, resulting in metal-semiconductor and superconductivity transitions together with a sequence of new high-pressure crystal phases, discovered experimentally. In contrast to the valence bands, the core-level bands become broadening up to about 10 eV at terapascal pressures. It means the transformation from chemical non-bonding to bonding for core electrons. Thus, dense lithium under compression can be characterized as core-level chemical bonding and a completely new class of strongly correlated materials with narrow bands filled in s-electron shells only.

  18. Real-time chemical analysis of aerosol particles

    SciTech Connect

    Yang, M.; Whitten, W.B.; Ramsey, J.M.

    1995-04-01

    An important aspect of environmental atmospheric monitoring requires the characterization of airborne microparticles and aerosols. Unfortunately, traditional sample collection and handling techniques are prone to contamination and interference effects that can render an analysis invalid. These problems can be avoided by using real-time atmospheric sampling techniques followed by immediate mass spectrometric analysis. The former is achieved in these experiments via a two state differential pumping scheme that is attached directly to a commercially available quadruple ion trap mass spectrometer. Particles produced by an external particle generator enter the apparatus and immediately pass through two cw laser/fiberoptic based detectors positioned two centimeters apart. Timing electronics measure the time between detection events, estimate the particles arrival in the center of the ion trap and control the firing of a YAG laser. Ions produced when the UV laser light ablates the particle`s surface are stored by the ion trap for mass analysis. Ion trap mass spectrometers have several advantages over conventional time-of-flight instruments. First, they are capable of MS/MS analysis by the collisional dissociation of a stored species, This permits complete chemical characterization of airborne samples. Second, ion traps are small and lend themselves to portable, field oriented applications.

  19. Follicle-stimulating hormone levels in male workers exposed to urban chemical, physical, and psychosocial stressors.

    PubMed

    Tomei, G; Tomao, E; Ciarrocca, M; Rosati, M V; Caciari, T; Gamberale, D; Palermo, P; De Sio, S; Tria, M; Panfili, A; Tomei, F

    2009-07-01

    The aim of this study is to evaluate whether occupational exposure to urban stressors could cause alterations in the follicle-stimulating hormone (FSH) levels in traffic policemen compared to a control group. After excluding the subjects with main confounding factors, traffic policemen and male controls were matched by age, working life, body mass index (BMI), drinking habit, cigarette smoking history, and daily consumption of Italian coffee, 166 traffic policemen and 166 controls were included into the study. FSH levels were significantly higher in traffic policemen compared to male controls (P < 0.05). The distribution of FSH values in traffic policemen and controls was significant (P < 0.05). Our results suggest that occupational exposure to low doses of chemical and psychosocial stressors may alter plasma levels of FSH in traffic policemen more than in the control group. If the results obtained are confirmed by further research, the plasma levels of FSH may be used as early biological markers, valuable for the group, used in occupational set even before the appearance of disorders of male fertility. PMID:19671632

  20. A Finite Rate Chemical Analysis of Nitric Oxide Flow Contamination Effects on Scramjet Performance

    NASA Technical Reports Server (NTRS)

    Cabell, Karen F.; Rock, Kenneth E.

    2003-01-01

    The level of nitric oxide contamination in the test gas of the Langley Research Center Arc-Heated Scramjet Test Facility and the effect of the contamination on scramjet test engine performance were investigated analytically. A finite rate chemical analysis was performed to determine the levels of nitric oxide produced in the facility at conditions corresponding to Mach 6 to 8 flight simulations. Results indicate that nitric oxide levels range from one to three mole percent, corroborating previously obtained measurements. A three-stream combustor code with finite rate chemistry was used to investigate the effects of nitric oxide on scramjet performance. Results indicate that nitric oxide in the test gas causes a small increase in heat release and thrust performance for the test conditions investigated. However, a rate constant uncertainty analysis suggests that the effect of nitric oxide ranges from no net effect, to an increase of about 10 percent in thrust performance.

  1. JET MIXING ANALYSIS FOR SRS HIGH-LEVEL WASTE RECOVERY

    SciTech Connect

    Lee, S.

    2011-07-05

    The process of recovering the waste in storage tanks at the Savannah River Site (SRS) typically requires mixing the contents of the tank to ensure uniformity of the discharge stream. Mixing is accomplished with one to four slurry pumps located within the tank liquid. The slurry pump may be fixed in position or they may rotate depending on the specific mixing requirements. The high-level waste in Tank 48 contains insoluble solids in the form of potassium tetraphenyl borate compounds (KTPB), monosodium titanate (MST), and sludge. Tank 48 is equipped with 4 slurry pumps, which are intended to suspend the insoluble solids prior to transfer of the waste to the Fluidized Bed Steam Reformer (FBSR) process. The FBSR process is being designed for a normal feed of 3.05 wt% insoluble solids. A chemical characterization study has shown the insoluble solids concentration is approximately 3.05 wt% when well-mixed. The project is requesting a Computational Fluid Dynamics (CFD) mixing study from SRNL to determine the solids behavior with 2, 3, and 4 slurry pumps in operation and an estimate of the insoluble solids concentration at the suction of the transfer pump to the FBSR process. The impact of cooling coils is not considered in the current work. The work consists of two principal objectives by taking a CFD approach: (1) To estimate insoluble solids concentration transferred from Tank 48 to the Waste Feed Tank in the FBSR process and (2) To assess the impact of different combinations of four slurry pumps on insoluble solids suspension and mixing in Tank 48. For this work, several different combinations of a maximum of four pumps are considered to determine the resulting flow patterns and local flow velocities which are thought to be associated with sludge particle mixing. Two different elevations of pump nozzles are used for an assessment of the flow patterns on the tank mixing. Pump design and operating parameters used for the analysis are summarized in Table 1. The baseline

  2. Physical and Chemical Analytical Analysis: A key component of Bioforensics

    SciTech Connect

    Velsko, S P

    2005-02-15

    The anthrax letters event of 2001 has raised our awareness of the potential importance of non-biological measurements on samples of biological agents used in a terrorism incident. Such measurements include a variety of mass spectral, spectroscopic, and other instrumental techniques that are part of the current armamentarium of the modern materials analysis or analytical chemistry laboratory. They can provide morphological, trace element, isotopic, and other molecular ''fingerprints'' of the agent that may be key pieces of evidence, supplementing that obtained from genetic analysis or other biological properties. The generation and interpretation of such data represents a new domain of forensic science, closely aligned with other areas of ''microbial forensics''. This paper describes some major elements of the R&D agenda that will define this sub-field in the immediate future and provide the foundations for a coherent national capability. Data from chemical and physical analysis of BW materials can be useful to an investigation of a bio-terror event in two ways. First, it can be used to compare evidence samples collected at different locations where such incidents have occurred (e.g. between the powders in the New York and Washington letters in the Amerithrax investigation) or between the attack samples and those seized during the investigation of sites where it is suspected the material was manufactured (if such samples exist). Matching of sample properties can help establish the relatedness of disparate incidents, and mis-matches might exclude certain scenarios, or signify a more complex etiology of the events under investigation. Chemical and morphological analysis for sample matching has a long history in forensics, and is likely to be acceptable in principle in court, assuming that match criteria are well defined and derived from known limits of precision of the measurement techniques in question. Thus, apart from certain operational issues (such as how to

  3. Power Analysis in Two-Level Unbalanced Designs

    ERIC Educational Resources Information Center

    Konstantopoulos, Spyros

    2010-01-01

    Previous work on statistical power has discussed mainly single-level designs or 2-level balanced designs with random effects. Although balanced experiments are common, in practice balance cannot always be achieved. Work on class size is one example of unbalanced designs. This study provides methods for power analysis in 2-level unbalanced designs…

  4. Atomic-level analysis of membrane-protein structure.

    PubMed

    Hendrickson, Wayne A

    2016-06-01

    Membrane proteins are substantially more challenging than natively soluble proteins as subjects for structural analysis. Thus, membrane proteins are greatly underrepresented in structural databases. Recently, focused consortium efforts and advances in methodology for protein production, crystallographic analysis and cryo-EM analysis have accelerated the pace of atomic-level structure determination of membrane proteins. PMID:27273628

  5. Effects of chemical elements in the trophic levels of natural salt marshes.

    PubMed

    Kamiński, Piotr; Barczak, Tadeusz; Bennewicz, Janina; Jerzak, Leszek; Bogdzińska, Maria; Aleksandrowicz, Oleg; Koim-Puchowska, Beata; Szady-Grad, Małgorzata; Klawe, Jacek J; Woźniak, Alina

    2016-06-01

    The relationships between the bioaccumulation of Na, K, Ca, Mg, Fe, Zn, Cu, Mn, Co, Cd, and Pb, acidity (pH), salinity (Ec), and organic matter content within trophic levels (water-soil-plants-invertebrates) were studied in saline environments in Poland. Environments included sodium manufactures, wastes utilization areas, dumping grounds, and agriculture cultivation, where disturbed Ca, Mg, and Fe exist and the impact of Cd and Pb is high. We found Zn, Cu, Mn, Co, and Cd accumulation in the leaves of plants and in invertebrates. Our aim was to determine the selectivity exhibited by soil for nutrients and heavy metals and to estimate whether it is important in elucidating how these metals are available for plant/animal uptake in addition to their mobility and stability within soils. We examined four ecological plant groups: trees, shrubs, minor green plants, and water macrophytes. Among invertebrates, we sampled breastplates Malacostraca, small arachnids Arachnida, diplopods Diplopoda, small insects Insecta, and snails Gastropoda. A higher level of chemical elements was found in saline polluted areas (sodium manufactures and anthropogenic sites). Soil acidity and salinity determined the bioaccumulation of free radicals in the trophic levels measured. A pH decrease caused Zn and Cd to increase in sodium manufactures and an increase in Ca, Zn, Cu, Cd, and Pb in the anthropogenic sites. pH increase also caused Na, Mg, and Fe to increase in sodium manufactures and an increase in Na, Fe, Mn, and Co in the anthropogenic sites. There was a significant correlation between these chemical elements and Ec in soils. We found significant relationships between pH and Ec, which were positive in saline areas of sodium manufactures and negative in the anthropogenic and control sites. These dependencies testify that the measurement of the selectivity of cations and their fluctuation in soils provide essential information on the affinity and binding strength in these environments. The

  6. Optical instrumentation for on-line analysis of chemical processes

    SciTech Connect

    Hartford, A. Jr.; Cremers, D.A.; Loree, T.R.; Quigley, G.P.

    1983-01-01

    Optical diagnostics provide the capability for nonintrusive, on-line, real time analysis of chemical process streams. Several laser-based methods for monitoring fossil energy processes have been evaluated. Among the instrumentation techniques which appear quite promising are coherent anti-Stokes Raman spectroscopy (CARS), laser-induced breakdown spectroscopy (LIBS), and synchronous detection of laser-induced fluorescence (SDLIF). A CARS diagnostic was implemented on a coal gasifier and was successfully employed to measure species concentrations and temperatures within the process stream. The LIBS approach has been used to identify total trace impurities (e.g., Na, K, and S) within a gasifier. Recently, individual components in mixtures of aromatics hydrocarbons have been resolved via the synchronous detection of laser-induced fluorescence. 9 figures.

  7. Complete chemical analysis of aerosol particles in real-time

    SciTech Connect

    Yang, Mo; Reilly, P.T.A.; Gieray, R.A.; Whitten, W.B.; Ramsey, J.M.

    1996-12-31

    Real-time mass spectrometry of individual aerosol particles using an ion trap mass spectrometer is described. The microparticles are sampled directly from the air by a particle inlet system into the vacuum chamber. An incoming particle is detected as it passes through two CW laser beams and a pulsed laser is triggered to intercept the particle for laser ablation ionization at the center of the ion trap. The produced ions are analyzed by the ion trap mass spectrometer. Ions of interest are selected and dissociated through collision with buffer gas atoms for further fragmentation analysis. Real-time chemical analyses of inorganic, organic, and bacterial aerosol articles have been demonstrated. It has been confirmed that the velocity and the size of the incoming particles highly correlate to each other. The performance of the inlet system, particle detection, and preliminary results are discussed.

  8. Bacterial mixture analysis with Raman chemical imaging microspectroscopy

    NASA Astrophysics Data System (ADS)

    Tripathi, Ashish; Jabbour, Rabih E.; Guicheteau, Jason A.; Christesen, Steven D.; Emge, Darren K.; Jensen, Janet L.; Snyder, A. Peter

    2009-05-01

    Raman chemical imaging microspectroscopy (RCIM) is being evaluated as a technology for waterborne pathogen detection. Binary and ternary mixtures including combinations of polystyrene beads, Grampositive Bacillus anthracis and B. atrophaeus spores, B. cereus vegetative cells, and Gram-negative E. coli cells were investigated by RCIM for differentiation and characterization purposes. We have demonstrated the ability of RCIM, in combination with Pearson's cross correlation and multivariate principal components analysis data reduction techniques, to differentiate these components in the same field of view (FOV). Conventional applications of RCIM consist of differentiating relatively broad areas in a FOV. Here, RCIM is expanded in its capabilities to differentiate and distinguish between different micron size species in single particles and clusters of mixed species.

  9. Detection and Monitoring of Toxic Chemical at Ultra Trace Level by Utilizing Doped Nanomaterial

    PubMed Central

    Khan, Sher Bahadar; Rahman, Mohammed M.; Akhtar, Kalsoom; Asiri, Abdullah M.

    2014-01-01

    Composite nanoparticles were synthesized by eco-friendly hydrothermal process and characterized by different spectroscopic techniques. All the spectroscopic techniques suggested the synthesis of well crystalline optically active composite nanoparticles with average diameter of ∼30 nm. The synthesized nanoparticles were applied for the development of chemical sensor which was fabricated by coating the nanoparticles on silver electrode for the recognition of phthalimide using simple I–V technique. The developed sensor exhibited high sensitivity (1.7361 µA.mM−1.cm−2), lower detection limit (8.0 µM) and long range of detection (77.0 µM to 0.38 M). Further the resistances of composite nanoparticles based sensor was found to be 2.7 MΩ which change from 2.7 to 1.7 with change in phthalimide concentration. The major advantages of the designed sensor over existing sensors are its simple technique, low cost, lower detection limit, high sensitivity and long range of detection. It can detect phthalimide even at trace level and sense over wide range of concentrations. Therefore the composite nanoparticals would be a better choice for the fabrication of phthalimide chemical sensor and would be time and cost substituted implement for environmental safety. PMID:25329666

  10. Alternative Chemical Cleaning Methods for High Level Waste Tanks: Simulant Studies

    SciTech Connect

    Rudisill, T.; King, W.; Hay, M.; Jones, D.

    2015-11-19

    Solubility testing with simulated High Level Waste tank heel solids has been conducted in order to evaluate two alternative chemical cleaning technologies for the dissolution of sludge residuals remaining in the tanks after the exhaustion of mechanical cleaning and sludge washing efforts. Tests were conducted with non-radioactive pure phase metal reagents, binary mixtures of reagents, and a Savannah River Site PUREX heel simulant to determine the effectiveness of an optimized, dilute oxalic/nitric acid cleaning reagent and pure, dilute nitric acid toward dissolving the bulk non-radioactive waste components. A focus of this testing was on minimization of oxalic acid additions during tank cleaning. For comparison purposes, separate samples were also contacted with pure, concentrated oxalic acid which is the current baseline chemical cleaning reagent. In a separate study, solubility tests were conducted with radioactive tank heel simulants using acidic and caustic permanganate-based methods focused on the “targeted” dissolution of actinide species known to be drivers for Savannah River Site tank closure Performance Assessments. Permanganate-based cleaning methods were evaluated prior to and after oxalic acid contact.

  11. Microarray Technology for Major Chemical Contaminants Analysis in Food: Current Status and Prospects

    PubMed Central

    Zhang, Zhaowei; Li, Peiwu; Hu, Xiaofeng; Zhang, Qi; Ding, Xiaoxia; Zhang, Wen

    2012-01-01

    Chemical contaminants in food have caused serious health issues in both humans and animals. Microarray technology is an advanced technique suitable for the analysis of chemical contaminates. In particular, immuno-microarray approach is one of the most promising methods for chemical contaminants analysis. The use of microarrays for the analysis of chemical contaminants is the subject of this review. Fabrication strategies and detection methods for chemical contaminants are discussed in detail. Application to the analysis of mycotoxins, biotoxins, pesticide residues, and pharmaceutical residues is also described. Finally, future challenges and opportunities are discussed. PMID:23012541

  12. ANALYSIS OF SAMPLES FROM TANK 6F CHEMICAL CLEANING

    SciTech Connect

    Poirier, M.; Fink, S.

    2010-02-02

    Savannah River Remediation (SRR) is preparing Tank 6F for closure. The first step in preparing the tank for closure is mechanical sludge removal. In mechanical sludge removal, personnel add liquid (e.g., inhibited water or supernate salt solution) to the tank to form a slurry. They mix the liquid and sludge with pumps, and transfer the slurry to another tank for further processing. Mechanical sludge removal effectively removes the bulk of the sludge from a tank, but is not able to remove all of the sludge. In Tank 6F, SRR estimated a sludge heel of 5,984 gallons remained after mechanical sludge removal. To remove this sludge heel, SRR performed chemical cleaning. The chemical cleaning included two oxalic acid strikes, a spray wash, and a water wash. SRR conducted the first oxalic acid strike as follows. Personnel added 110,830 gallons of 8 wt % oxalic acid to Tank 6F and mixed the contents of Tank 6F with two submersible mixer pumps (SMPs) for approximately four days. Following the mixing, they transferred 115,903 gallons of Tank 6F material to Tank 7F. The SMPs were operating when the transfer started and were shut down approximately five hours after the transfer started. SRR collected a sample of the liquid from Tank 6F and submitted it to SRNL for analysis. Mapping of the tank following the transfer indicated that 2,400 gallons of solids remained in the tank. SRR conducted the second oxalic acid strike as follows. Personnel added 28,881 gallons of 8 wt % oxalic acid to Tank 6F. Following the acid addition, they visually inspected the tank and transferred 32,247 gallons of Tank 6F material to Tank 7F. SRR collected a sample of the liquid from Tank 6F and submitted it to SRNL for analysis. Mapping of the tank following the transfer indicated that 3,248 gallons of solids remained in the tank. Following the oxalic acid strikes, SRR performed Spray Washing with oxalic acid to remove waste collected on internal structures, cooling coils, tank top internals, and tank

  13. Chemical hazards analysis of resilient flooring for healthcare.

    PubMed

    Lent, Tom; Silas, Julie; Vallette, Jim

    2010-01-01

    This article addresses resilient flooring, evaluating the potential health effects of vinyl flooring and the leading alternatives-synthetic rubber, polyolefin, and linoleum-currently used in the healthcare marketplace. The study inventories chemicals incorporated as components of each of the four material types or involved in their life cycle as feedstocks, intermediary chemicals, or emissions. It then characterizes those chemicals using a chemical hazard-based framework that addresses persistence and bioaccumulation, human toxicity, and human exposures. PMID:21165873

  14. Levels and spatial distribution of airborne chemical elements in a heavy industrial area located in the north of Spain.

    PubMed

    Lage, J; Almeida, S M; Reis, M A; Chaves, P C; Ribeiro, T; Garcia, S; Faria, J P; Fernández, B G; Wolterbeek, H T

    2014-01-01

    The adverse health effects of airborne particles have been subjected to intense investigation in recent years; however, more studies on the chemical characterization of particles from pollution emissions are needed to (1) identify emission sources, (2) better understand the relative toxicity of particles, and (3) pinpoint more targeted emission control strategies and regulations. The main objective of this study was to assess the levels and spatial distribution of airborne chemical elements in a heavy industrial area located in the north of Spain. Instrumental and biomonitoring techniques were integrated and analytical methods for k0 instrumental neutron activation analysis and particle-induced x-ray emission were used to determine element content in aerosol filters and lichens. Results indicated that in general local industry contributed to the emissions of As, Sb, Cu, V, and Ni, which are associated with combustion processes. In addition, the steelwork emitted significant quantities of Fe and Mn and the cement factory was associated with Ca emissions. The spatial distribution of Zn and Al also indicated an important contribution of two industries located outside the studied area. PMID:25072718

  15. Chemical analysis and potential health risks of hookah charcoal.

    PubMed

    Elsayed, Yehya; Dalibalta, Sarah; 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. PMID:27343945

  16. Chemical analysis of Argonne premium coal samples. Bulletin

    SciTech Connect

    Palmer, C.A.

    1997-11-01

    Contents: The Chemical Analysis of Argonne Premium Coal Samples: An Introduction; Rehydration of Desiccated Argonne Premium Coal Samples; Determination of 62 Elements in 8 Argonne Premium Coal Ash Samples by Automated Semiquantitative Direct-Current Arc Atomic Emission Spectrography; Determination of 18 Elements in 5 Whole Argonne Premium Coal Samples by Quantitative Direct-Current Arc Atomic Emission Spectrography; Determination of Major and Trace Elements in Eight Argonne Premium Coal Samples (Ash and Whole Coal) by X-Ray Fluorescence Spectrometry; Determination of 29 Elements in 8 Argonne Premium Coal Samples by Instrumental Neutron Activation Analysis; Determination of Selected Elements in Coal Ash from Eight Argonne Premium Coal Samples by Atomic Absorption Spectrometry and Atomic Emission Spectrometry; Determination of 25 Elements in Coal Ash from 8 Argonne Premium Coal Samples by Inductively Coupled Argon Plasma-Atomic Emission Spectrometry; Determination of 33 Elements in Coal Ash from 8 Argonne Premium Coal Samples by Inductively Coupled Argon Plasma-Mass Spectrometry; Determination of Mercury and Selenium in Eight Argonne Premium Coal Samples by Cold-Vapor and Hydride-Generation Atomic Absorption Spectrometry; Determinaton of Carbon, Hydrogen, and Nitrogen in Eight Argonne Premium Coal Samples by Using a Gas Chromatographic Analyzer with a Thermal Conductivity Detector; and Compilation of Multitechnique Determinations of 51 Elements in 8 Argonne Premium Coal Samples.

  17. Structural analysis of photosystem I polypeptides using chemical crosslinking

    NASA Technical Reports Server (NTRS)

    Armbrust, T. S.; Odom, W. R.; Guikema, J. A.; Spooner, B. S. (Principal Investigator)

    1994-01-01

    Thylakoid membranes, obtained from leaves of 14 d soybean (Glycine max L. cv. Williams) plants, were treated with the chemical crosslinkers glutaraldehyde or 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) to investigate the structural organization of photosystem I. Polypeptides were resolved using lithium dodecyl sulfate polyacrylamide gel electrophoresis, and were identified by western blot analysis using a library of polyclonal antibodies specific for photosystem I subunits. An electrophoretic examination of crosslinked thylakoids revealed numerous crosslinked products, using either glutaraldehyde or EDC. However, only a few of these could be identified by western blot analysis using subunit-specific polyclonal antibodies. Several glutaraldehyde dependent crosslinked species were identified. A single band was identified minimally composed of PsaC and PsaD, documenting the close interaction between these two subunits. The most interesting aspect of these studies was a crosslinked species composed of the PsaB subunit observed following EDC treatment of thylakoids. This is either an internally crosslinked species, which will provide structural information concerning the topology of the complex PsaB protein, a linkage with a polypeptide for which we do not yet have an immunological probe, or a masking of epitopes by the EDC linkage at critical locations in the peptide which is linked to PsaB.

  18. Flow Injection Analysis and Liquid Chromatography for Multifunctional Chemical Analysis (MCA) Systems

    ERIC Educational Resources Information Center

    Mayo, Ana V.; Loegel, Thomas N.; Bretz, Stacey Lowery; Danielson, Neil D.

    2013-01-01

    The large class sizes of first-year chemistry labs makes it challenging to provide students with hands-on access to instrumentation because the number of students typically far exceeds the number of research-grade instruments available to collect data. Multifunctional chemical analysis (MCA) systems provide a viable alternative for large-scale…

  19. NASA GES DISC Level 2 Aerosol Analysis and Visualization Services

    NASA Technical Reports Server (NTRS)

    Wei, Jennifer; Petrenko, Maksym; Ichoku, Charles; Yang, Wenli; Johnson, James; Zhao, Peisheng; Kempler, Steve

    2015-01-01

    Overview of NASA GES DISC Level 2 aerosol analysis and visualization services: DQViz (Data Quality Visualization)MAPSS (Multi-sensor Aerosol Products Sampling System), and MAPSS_Explorer (Multi-sensor Aerosol Products Sampling System Explorer).

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

    SciTech Connect

    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.

  1. Chemical abuse in the elderly: evidence from hair analysis.

    PubMed

    Kintz, Pascal; Villain, Marion; Cirimele, Vincent

    2008-04-01

    The use of a drug to modify a person's behavior for criminal gain is not a recent phenomenon. However, the recent increase in reports of drug-facilitated crimes (sexual assault, robbery) has caused some alarm in the general public. Drugs involved can be pharmaceuticals such as benzodiazepines (flunitrazepam, lorazepam, clonazepam), hypnotics (zopiclone, zolpidem), sedatives (neuroleptics, some antihistamines), or anesthetics (GHB, ketamine); drugs of abuse such as cannabis, ecstasy, or LSD; or, more often, ethanol. Mistreatment of older people, whether it is abuse or neglect, can be classified as physical, psychologic, or financial/material. Several types of mistreatment may occur simultaneously. Very few data are available in the international literature. It seems that mental abuse and neglect are more frequent, but physical abuse such as beating, pushing, kicking, and possibly sexual abuse have also been reported. Drugs used to facilitate sexual assaults can be difficult to detect (active products at low dosages, chemical instability), can possess amnesic properties, and can be rapidly cleared from the body (short half-life). In these situations, blood, or even urine, can be inadequate. This is the reason why some laboratories have developed an original approach based on hair testing. Hair was suggested as a valuable specimen in situations in which, as a result of a delay in reporting the crime, natural processes have eliminated the drug from typical biologic specimens. Hair analysis may be a useful adjunct to conventional drug testing in sexual assault. It should not be considered as an alternative to blood and urine analyses, but as a complement. Mass spectrometry/mass spectrometry technologies appear to be required for analyses in drug-facilitated cases. The experience of the authors is presented in cases involving the elderly and chemical poisoning. PMID:18367982

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

    EPA Science Inventory

    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...

  3. The Construct of Agreeableness: Facet vs. Item Level Analysis

    ERIC Educational Resources Information Center

    Newgent, Rebecca A.; Lee, Sang Min; Higgins, Kristin K.; Mulvenon, Sean W.; Connors, Joanie V.

    2004-01-01

    The Revised NEO Personality Inventory (NEO PI-R) was developed to operationalize the Five-Factor Model of Personality. Using correlational analysis and confirmatory and exploratory factor analysis, the present study investigates the facet structure of the domain of Agreeableness of the NEO-PI-R at the facet and item level to assess which is a more…

  4. Wind and seismic analysis for liquid-level gauge support

    SciTech Connect

    Ziada, A.H.

    1994-12-07

    A wind and seismic analysis was performed for the liquid-level gauge installation support stand. The analysis includes the stand and footing only. All of these supports are classified as safety class 3. The analysis was based on safety class 2 requirements for conservatism. Conventional hand calculations were performed to evaluate the stresses and overturning of the structure. The results and recommendations appear in Section 2.0. The configuration and loadings are discussed in Section 3.0; the analysis and evaluation appears in Section 4.0; and the detailed analysis is documented in Appendix A.

  5. Natural background levels and threshold values of chemical species in three large-scale groundwater bodies in Northern Italy.

    PubMed

    Molinari, Antonio; Guadagnini, Laura; Marcaccio, Marco; Guadagnini, Alberto

    2012-05-15

    We analyze natural background levels (NBLs) and threshold values (TVs) of spatially distributed chemical species (NH(4), B and As) which may be a potential pressure and concern in three large scale alluvial and fluvio-deltaic aquifers at different depths of the Apennines and Po river plains in Emilia-Romagna, Northern Italy. Our results are based on statistical methodologies designed to separate the natural and anthropogenic contributions in monitored concentrations by modeling the empirical distribution of the detected concentration with a mixture of probability density functions. Available chemical observations are taken over a 20 years period and are associated with different depths and cover planar investigation scales of the order of hundreds of kilometers. High concentration values detected for NH(4) and B appear to be related to high natural background levels. Due to interaction with the host rock in different geochemical environments we observed that concentration vary in time and space (including in depth) consistently with the hydrogeochemical features and the occurrence of natural attenuation mechanisms in the analyzed reservoirs. Conversely, estimated As NBLs are not consistent with the conceptual model of the hydrogeochemical behavior of the systems analyzed and experimental evidences of As content in aquifer cores. This is due to the inability of these techniques to incorporate the complex dynamics of the processes associated with the specific hydrogeochemical setting. Statistical analyses performed upon aggregating the concentration data according to different time observation windows allow identifying temporal dynamics of NBLs and TVs of target compounds within the observation time frame. Our results highlight the benefit of a dynamic monitoring process and analysis of well demarcated groundwater bodies to update the associated NBLs as a function of the temporal dependence of natural processes occurring in the subsurface. Monitoring protocols could

  6. Tooth matrix analysis for biomonitoring of organic chemical exposure: Current status, challenges, and opportunities.

    PubMed

    Andra, Syam S; Austin, Christine; Arora, Manish

    2015-10-01

    Epidemiological evidence supports associations between prenatal exposure to environmental organic chemicals and childhood health impairments. Unlike the common choice of biological matrices such as urine and blood that can be limited by short half-lives for some chemicals, teeth provide a stable repository for chemicals with half-life in the order of decades. Given the potential of the tooth bio-matrix to study long-term exposures to environmental organic chemicals in human biomonitoring programs, it is important to be aware of possible pitfalls and potential opportunities to improve on the current analytical method for tooth organics analysis. We critically review previous results of studies of this topic. The major drawbacks and challenges in currently practiced concepts and analytical methods in utilizing tooth bio-matrix are (i) no consideration of external (from outer surface) or internal contamination (from micro-odontoblast processes), (ii) the misleading assumption that whole ground teeth represent prenatal exposures (latest formed dentine is lipid rich and therefore would absorb and accumulate more organic chemicals), (iii) reverse causality in exposure assessment due to whole ground teeth, and (iv) teeth are a precious bio-matrix and grinding them raises ethical concerns about appropriate use of a very limited resource in exposure biology and epidemiology studies. These can be overcome by addressing the important limitations and possible improvements with the analytical approach associated at each of the following steps: (i) tooth sample preparation to retain exposure timing, (ii) organics extraction and pre-concentration to detect ultra-trace levels of analytes, (iii) chromatography separation, (iv) mass spectrometric detection to detect multi-class organics simultaneously, and (v) method validation, especially to exclude chance findings. To highlight the proposed improvements we present findings from a pilot study that utilizes tooth matrix biomarkers

  7. GRABGAM Analysis of Ultra-Low-Level HPGe Gamma Spectra

    SciTech Connect

    Winn, W.G.

    1999-07-28

    The GRABGAM code has been used successfully for ultra-low level HPGe gamma spectrometry analysis since its development in 1985 at Savannah River Technology Center (SRTC). Although numerous gamma analysis codes existed at that time, reviews of institutional and commercial codes indicated that none addressed all features that were desired by SRTC. Furthermore, it was recognized that development of an in-house code would better facilitate future evolution of the code to address SRTC needs based on experience with low-level spectra. GRABGAM derives its name from Gamma Ray Analysis BASIC Generated At MCA/PC.

  8. EDXRF quantitative analysis of chromophore chemical elements in corundum samples.

    PubMed

    Bonizzoni, L; Galli, A; Spinolo, G; Palanza, V

    2009-12-01

    Corundum is a crystalline form of aluminum oxide (Al(2)O(3)) and is one of the rock-forming minerals. When aluminum oxide is pure, the mineral is colorless, but the presence of trace amounts of other elements such as iron, titanium, and chromium in the crystal lattice gives the typical colors (including blue, red, violet, pink, green, yellow, orange, gray, white, colorless, and black) of gemstone varieties. The starting point for our work is the quantitative evaluation of the concentration of chromophore chemical elements with a precision as good as possible to match the data obtained by different techniques as such as optical absorption photoluminescence. The aim is to give an interpretation of the absorption bands present in the NIR and visible ranges which do not involve intervalence charge transfer transitions (Fe(2+) --> Fe(3+) and Fe(2+) --> Ti(4+)), commonly considered responsible of the important features of the blue sapphire absorption spectra. So, we developed a method to evaluate as accurately as possible the autoabsorption effects and the secondary excitation effects which frequently are sources of relevant errors in the quantitative EDXRF analysis. PMID:19821113

  9. Dynamic Processes of Conceptual Change: Analysis of Constructing Mental Models of Chemical Equilibrium.

    ERIC Educational Resources Information Center

    Chiu, Mei-Hung; Chou, Chin-Cheng; Liu, Chia-Ju

    2002-01-01

    Investigates students' mental models of chemical equilibrium using dynamic science assessments. Reports that students at various levels have misconceptions about chemical equilibrium. Involves 10th grade students (n=30) in the study doing a series of hands-on chemical experiments. Focuses on the process of constructing mental models, dynamic…

  10. An Analysis of Chemical Ingredients Network of Chinese Herbal Formulae for the Treatment of Coronary Heart Disease

    PubMed Central

    Ding, Fan; Zhang, Qianru; Ung, Carolina Oi Lam; Wang, Yitao; Han, Yifan; Hu, Yuanjia; Qi, Jin

    2015-01-01

    As a complex system, the complicated interactions between chemical ingredients, as well as the potential rules of interactive associations among chemical ingredients of traditional Chinese herbal formulae are not yet fully understood by modern science. On the other hand, network analysis is emerging as a powerful approach focusing on processing complex interactive data. By employing network approach in selected Chinese herbal formulae for the treatment of coronary heart disease (CHD), this article aims to construct and analyze chemical ingredients network of herbal formulae, and provide candidate herbs, chemical constituents, and ingredient groups for further investigation. As a result, chemical ingredients network composed of 1588 ingredients from 36 herbs used in 8 core formulae for the treatment of CHD was produced based on combination associations in herbal formulae. In this network, 9 communities with relative dense internal connections are significantly associated with 14 kinds of chemical structures with P<0.001. Moreover, chemical structural fingerprints of network communities were detected, while specific centralities of chemical ingredients indicating different levels of importance in the network were also measured. Finally, several distinct herbs, chemical ingredients, and ingredient groups with essential position in the network or high centrality value are recommended for further pharmacology study in the context of new drug development. PMID:25658855

  11. Laser-induced destination of hazardous chemicals: A preliminary analysis

    NASA Astrophysics Data System (ADS)

    Morrison, P. F.; Wolf, K. A.

    1982-10-01

    Technical methods that might prove effective in destroying dangerous chemicals before they leave the plant environment and become subject to regulation are studied. Laser infrared multiphoton dissociation, for decomposing deleterious chemical gases is evaluated. The chlorinated ethylenes and the chlorinated ethanes are emphasized. A detailed method for decomposing chlorinated chemicals in the workplace using a relatively inexpensive CO2 laser is discussed. Results show that CO2 laser photodegradation of vinyl chloride, a chlorinated ethylene, is promising.

  12. Chemical Environment at Waste Package Surfaces in a High-Level Radioactive Waste Repository

    SciTech Connect

    Carroll, S; Alai, M; Craig, L; Gdowski, G; Hailey, P; Nguyen, Q A; Rard, J; Staggs, K; Sutton, M; Wolery, T

    2005-05-26

    below-boiling period is characterized predominately by NaCl based brines with minor amounts of K, NO{sub 3}, Ca, Mg, F, and Br at less than 70% relative humidity. These brines are identified as sulfate and bicarbonate brines by the chemical divide theory. Nitrate to chloride ratios are strongly tied to relative humidity and halite solubility. Once the relative humidity is low enough to produce brines saturated with respect to halite, then NO{sub 3}:Cl increases to levels and may inhibit corrosion. In addition to the more abundant NaCl-based brines some measured pore waters will evaporate towards acid NaCl-CaCl{sub 2} brines. Acid volatility also occurs with this brine type indicating that chemical transformations may be important in thin films. In contrast to the above-boiling period, comparison of our experimental data with calculated data suggest that current YMP geochemical models adequately predict in-drift chemistry in the below-boiling period.

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

    USGS Publications Warehouse

    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.

  14. In situ Analysis of Organic Compounds on Mars using Chemical Derivatization and Gas Chromatography Mass Spectrometry

    NASA Technical Reports Server (NTRS)

    Glavin, D. P.; Buch, A.; Cabane, M.; Coll, P.; Navarro-Gonzalez, R.; Mahaffy, P. R.

    2005-01-01

    One of the core science objectives of NASA's 2009 Mars Science Laboratory (MSL) mission is to determine the past or present habitability of Mars. The search for key organic compounds relevant to terrestrial life will be an important part of that assessment. We have developed a protocol for the analysis of amino acids and carboxylic acids in Mars analogue materials using gas chromatography mass spectrometry (GCMS). As shown, a variety of carboxylic acids were readily identified in soil collected from the Atacama Desert in Chile at part-per-billion levels by GCMS after extraction and chemical derivatization using the reagent N,N-tert.-butyl (dimethylsilyl) trifluoroacetamide (MTBSTFA). Several derivatized amino acids including glycine and alanine were also detected by GCMS in the Atacama soil at lower concentrations (chromatogram not shown). Lacking derivatization capability, the Viking pyrolysis GCMS instruments could not have detected amino acids and carboxylic acids, since these non-volatile compounds require chemical transformation into volatile species that are stable in a GC column. We are currently optimizing the chemical extraction and derivatization technique for in situ GCMS analysis on Mars. Laboratory results of analyses of Atacama Desert samples and other Mars analogue materials using this protocol will be presented.

  15. Using Static and Dynamic Visuals to Represent Chemical Change at Molecular Level

    NASA Astrophysics Data System (ADS)

    Ardac, Dilek; Akaygun, Sevil

    2005-09-01

    The study examines the effectiveness of visually enhanced instruction that emphasizes molecular representations. Instructional conditions were specified in terms of the visual elaboration level (static and dynamic) and the presentation mode (whole class and individual). Fifty-two eighth graders (age range 14 15 years) participated in one of the three instructional conditions (dynamic individual, dynamic whole class, and static whole class) designed to improve molecular understanding on chemical change. The results indicated significantly higher performance for students who used dynamic visuals compared with those who used static visuals. Furthermore, students who used dynamic visuals on an individual basis were more consistent in their use of molecular representations compared with students who received whole-class instruction with dynamic or static visuals. The results favour the use of dynamic visuals (preferably on an individual basis) over static visuals when presenting molecular representations. The results also imply that the effectiveness of instruction will improve if teachers challenge and question the inconsistencies and contradictions between verbal explanations and corresponding molecular representations

  16. Chemical Speciation of Americium, Curium and Selected Tetravalent Actinides in High Level Waste

    SciTech Connect

    Felmy, Andrew R.

    2004-06-01

    Large volumes of high-level waste (HLW) currently stored in tanks at DOE sites contain both sludges and supernatants. The sludges are composed of insoluble precipitates of actinides, radioactive fission products, and nonradioactive components. The supernatants are alkaline carbonate solutions, which can contain soluble actinides, fission products, metal ions, and high concentrations of major electrolytes including sodium hydroxide, nitrate, nitrite, phosphate, carbonate, aluminate, sulfate, and organic complexants. The organic complexants include several compounds that can form strong aqueous complexes with actinide species and fission products including ethylenediaminetetraacetic acid (EDTA), N-(2-hydroxyethyl)ethylenediaminetriacetic acid (HEDTA), nitrilotriacetic acid (NTA), iminodiacetic acid (IDA), citrate, glycolate, gluconate, and degradation products, formate and oxalate. The goal of this project is to determine the effects of hydrolysis, carbonate complexation, and metal ion displacement on trivalent and selected tetravalent actinide speciation in the presence of organic chelates present in tank waste and to use these data to develop accurate predictive thermodynamic models for use in chemical engineering applications at Hanford and other DOE sites.

  17. Polycyclic Aromatic Aerosol Components: Chemical Analysis and Reactivity

    NASA Astrophysics Data System (ADS)

    Schauer, C.; Niessner, R.; Pöschl, U.

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants in the atmosphere and originate primarily from incomplete combustion of organic matter and fossil fuels. Their main sources are anthropogenic (e.g. vehicle emissions, domes- tic heating or tobacco smoke), and PAHs consisting of more than four fused aromatic rings reside mostly on combustion aerosol particles, where they can react with atmo- spheric trace gases like O3, NOx or OH radicals leading to a wide variety of partially oxidized and nitrated derivatives. Such chemical transformations can strongly affect the activity of the aerosol particles as condensation nuclei, their atmospheric residence times, and consequently their direct and indirect climatic effects. Moreover some poly- cyclic aromatic compounds (PACs = PAHs + derivatives) are known to have a high carcinogenic, mutagenic and allergenic potential, and are thus of major importance in air pollution control. Furthermore PACs can be used as well defined soot model sub- stances, since the basic structure of soot can be regarded as an agglomerate of highly polymerized PAC-layers. For the chemical analysis of polycyclic aromatic aerosol components a new analyti- cal method based on LC-APCI-MS has been developed, and a data base comprising PAHs, Oxy-PAHs and Nitro-PAHs has been established. Together with a GC-HRMS method it will be applied to identify and quantify PAHs and Nitro-PAHs in atmo- spheric aerosol samples, diesel exhaust particle samples and model soot samples from laboratory reaction kinetics and product studies. As reported before, the adsorption and surface reaction rate of ozone on soot and PAH-like particle surfaces is reduced by competitive adsorption of water vapor at low relative humidity (< 25 %). Recent results at higher relative humidities (ca. 50 %), however, indicate re-enhanced gas phase ozone loss, which may be due to absorbtion of ozone into an aqueous surface layer. The interaction of ozone and nitrogen

  18. Raman Based Process Monitor For Continuous Real-Time Analysis Of High Level Radioactive Waste Components

    SciTech Connect

    Bryan, Samuel A.; Levitskaia, Tatiana G.; Schlahta, Stephan N.

    2008-05-27

    ABSTRACT A new monitoring system was developed at Pacific Northwest National Laboratory (PNNL) to quickly generate real-time data/analysis to facilitate a timely response to the dynamic characteristics of a radioactive high level waste stream. The developed process monitor features Raman and Coriolis/conductivity instrumentation configured for the remote monitoring, MatLab-based chemometric data processing, and comprehensive software for data acquisition/storage/archiving/display. The monitoring system is capable of simultaneously and continuously quantifying the levels of all the chemically significant anions within the waste stream including nitrate, nitrite, phosphate, carbonate, chromate, hydroxide, sulfate, and aluminate. The total sodium ion concentration was also determined independently by modeling inputs from on-line conductivity and density meters. In addition to the chemical information, this monitoring system provides immediate real-time data on the flow parameters, such as flow rate and temperature, and cumulative mass/volume of the retrieved waste stream. The components and analytical tools of the new process monitor can be tailored for a variety of complex mixtures in chemically harsh environments, such as pulp and paper processing liquids, electroplating solutions, and radioactive tank wastes. The developed monitoring system was tested for acceptability before it was deployed for use in Hanford Tank S-109 retrieval activities. The acceptance tests included performance inspection of hardware, software, and chemometric data analysis to determine the expected measurement accuracy for the different chemical species that are encountered during S-109 retrieval.

  19. Raman Based Process Monitor for Continuous Real-Time Analysis Of High Level Radioactive Waste Components

    SciTech Connect

    Bryan, S.; Levitskaia, T.; Schlahta, St.

    2008-07-01

    A new monitoring system was developed at Pacific Northwest National Laboratory (PNNL) to quickly generate real-time data/analysis to facilitate a timely response to the dynamic characteristics of a radioactive high level waste stream. The developed process monitor features Raman and Coriolis/conductivity instrumentation configured for the remote monitoring, MatLab-based chemometric data processing, and comprehensive software for data acquisition/storage/archiving/display. The monitoring system is capable of simultaneously and continuously quantifying the levels of all the chemically significant anions within the waste stream including nitrate, nitrite, phosphate, carbonate, chromate, hydroxide, sulfate, and aluminate. The total sodium ion concentration was also determined independently by modeling inputs from on-line conductivity and density meters. In addition to the chemical information, this monitoring system provides immediate real-time data on the flow parameters, such as flow rate and temperature, and cumulative mass/volume of the retrieved waste stream. The components and analytical tools of the new process monitor can be tailored for a variety of complex mixtures in chemically harsh environments, such as pulp and paper processing liquids, electroplating solutions, and radioactive tank wastes. The developed monitoring system was tested for acceptability before it was deployed for use in Hanford Tank S-109 retrieval activities. The acceptance tests included performance inspection of hardware, software, and chemometric data analysis to determine the expected measurement accuracy for the different chemical species that are encountered during S-109 retrieval. (authors)

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

    SciTech Connect

    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.

  1. Chemical components determination via terahertz spectroscopic statistical analysis using microgenetic algorithm

    NASA Astrophysics Data System (ADS)

    Chen, Yi; Ma, Yong; Lu, Zheng; Xia, Zhi-Ning; Cheng, Hong

    2011-03-01

    In public security related applications, many suspicious samples may be a mixture of various chemical components that makes the usual spectral analysis difficult. In this paper, a terahertz spectroscopic statistical analysis method using a microgenetic algorithm (Micro-GA) has been proposed. Various chemical components in the mixture can be identified and the concentration of each component can be estimated based on the known spectral data of the pure chemical components. Five chemical mixtures have been tested using Micro-GA. The simulation results have shown agreement with other analytical methods. It is suggested that Micro-GA has potential applications for terahertz spectral identifications of chemical mixtures.

  2. Thermodynamic analysis of alternate energy carriers, hydrogen and chemical heat pipes

    NASA Technical Reports Server (NTRS)

    Cox, K. E.; Carty, R. H.; Conger, W. L.; Soliman, M. A.; Funk, J. E.

    1976-01-01

    Hydrogen and chemical heat pipes were proposed as methods of transporting energy from a primary energy source (nuclear, solar) to the user. In the chemical heat pipe system, primary energy is transformed into the energy of a reversible chemical reaction; the chemical species are then transmitted or stored until the energy is required. Analysis of thermochemical hydrogen schemes and chemical heat pipe systems on a second law efficiency or available work basis show that hydrogen is superior especially if the end use of the chemical heat pipe is electrical power.

  3. Chemical and Trajectory Analysis of an Air Mass Plume from Asia

    NASA Astrophysics Data System (ADS)

    Guo, J. J.; Marrero, J. E.; Blake, D. R.

    2014-12-01

    Tracking the source of pollution events is important in understanding the transport of pollution plumes and impact on areas far from the source. Previous studies have shown that the rising contribution of Asian air pollution to the US has increased the number of days that pollution events exceed National Ambient Air Quality Standards (NAAQS). Whole air samples collected over the Edwards Air Force Base during a June 2014 NASA Student Airborne Research Program (SARP) flight exhibited enhancements in the concentrations of several compounds between 23-32 thousand feet. Chemical tracer analysis of these high altitude samples reveal that the air does not correspond to California emitted air. Chemical signatures in the plume, including high levels of OCS, chloroform, and methyl chloride, and low levels of methyl bromide, indicate that the plume was most heavily influence by coal combustion with contributions from biomass burning events from Asia. Low concentrations of ethene at the high altitude despite enhanced concentrations of ethane and ethyne suggest that this plume was aged. Further analysis of the plume using meteorological wind trajectories reveal that the plume had originated in China approximately 4-5 days prior. This is faster than results from previous studies that had found a Spring transport time of approximately 6 days.

  4. System-level responses of lake ecosystems to chemical stresses using exergy and structural exergy as ecological indicators.

    PubMed

    Xu, Fu-Liu; Dawson, R W; Tao, Shu; Li, Ben-Gang; Cao, Jun

    2002-01-01

    This paper presents the system-level responses of experimental lake ecosystems to three chemical stresses (acidification, copper and pesticide contamination) using exergy and structural exergy as ecological indicators. The results indicate that the doses or toxicity of the three chemical stressors contributed to changes in both exergy and structural exergy. Remarkable changes in exergy and structural exergy occurred under acidic conditions and in the presence of Dursban, 24D-DMA, permethrin, bifenthrin, Carbaryl, TCP, PCP, trichlorethylene, benzene, and high doses of Cu, oil, and hexazinone. This seemed to indicate that the subject ecosystems were seriously contaminated by these chemical stressors. For low doses of Cu, oil, atrazine, HCBP, and hexazinone, exergy and structural exergy were either unchanged or only slightly changed, suggesting that the lake ecosystems were not significantly impacted by these chemical stressors. Discussion of the relationships between ecosystem-level changes and structural and functional changes in stressed lake ecosystems indicates that the above-mentioned ecosystem-level changes were in accordance with the changes in structure and function. The observed changes in exergy and structural exergy were also consistent with Odum's predictions of shortened food chains, reduced resource use efficiency, poor stability, low information, and high entropy in stressed aquatic ecosystems. The findings lead the authors to conclude that it is feasible for exergy and structural exergy to serve as ecological indicators when characterizing the system-level responses of experimental lake ecosystems to chemical stress. These results for experimental lake ecosystems would be extrapolated to actual lakes. PMID:11827273

  5. Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester

    NASA Astrophysics Data System (ADS)

    Shoba, D.; Periandy, S.; Govindarajan, M.; Gayathri, P.

    2015-02-01

    In this present study, an organic compound Isonicotinic acid methyl ester (INAME) was structurally characterized by FTIR, FT-Raman, and NMR and UV spectroscopy. The optimized geometrical parameters and energies of all different and possible conformers of INAME are obtained from Density Functional Theory (DFT) by B3LYP/6-311++G(d,p) method. There are three conformers (SI, SII-1, and SII-2) for this molecule (ground state). The most stable conformer of INAME is SI conformer. The molecular geometry and vibrational frequencies of INAME in the ground state have been calculated by using HF and density functional method (B3LYP) 6-311++G (d,p) basis set. Detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The computed vibrational frequencies were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. A study on the electronic properties, such as HOMO and LUMO energies were performed by time independent DFT approach. Besides, molecular electrostatic potential (MEP) and thermodynamic properties were performed. The electric dipole moment (μ) and first hyper polarizability (β) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results show that the INAME molecule may have microscopic nonlinear optical (NLO) behavior with non zero values. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by gauge independent atomic orbital (GIAO) method.

  6. Fuzzy clustering analysis of the first 10 MEIC chemicals.

    PubMed

    Sârbu, C; Pop, H F

    2000-03-01

    In this paper, we discuss the classification results of the toxicological responses of 32 in vivo and in vitro test systems to the first 10 MEIC chemicals. In this order we have used different fuzzy clustering algorithms, namely hierarchical fuzzy clustering, hierarchical and horizontal fuzzy characteristics clustering and a new clustering technique, namely fuzzy hierarchical cross-classification. The characteristics clustering technique produces fuzzy partitions of the characteristics (chemicals) involved and thus it is a useful tool for studying the (dis)similarities between different chemicals and for essential chemicals selection. The cross-classification algorithm produces not only a fuzzy partition of the test systems analyzed, but also a fuzzy partition of the considered 10 MEIC (multicentre evaluation of in vitro cytotoxicity) chemicals. In this way it is possible to identify which chemicals are responsible for the similarities or differences observed between different groups of test systems. In another way, there is a specific sensitivity of a chemical for one or more toxicological tests. PMID:10665388

  7. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

    SciTech Connect

    Belianinov, Alex Ganesh, Panchapakesan; Lin, Wenzhi; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.; Sales, Brian C.; Sefat, Athena S.

    2014-12-01

    Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe{sub 0.55}Se{sub 0.45} (T{sub c} = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe{sub 1−x}Se{sub x} structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.

  8. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

    DOE PAGESBeta

    Belianinov, Alex; Panchapakesan, G.; Lin, Wenzhi; Sales, Brian C.; Sefat, Athena Safa; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.

    2014-12-02

    Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1 x Sex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signaturemore » and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.« less

  9. Promoting Chemistry at the Elementary Level: A Low-Maintenance Program of Chemical Demonstrations.

    ERIC Educational Resources Information Center

    Louters, Larry L.; Huisman, Richard D.

    1999-01-01

    Presents a chemical demonstration program designed to support elementary science education in which fifth- and sixth-grade students visit a college campus to watch chemical demonstrations performed by a professor. Contains suggestions for program set-up and references for demonstrations to use. (WRM)

  10. Fostering Multirepresentational Levels of Chemical Concepts: A Framework to Develop Educational Software

    ERIC Educational Resources Information Center

    Marson, Guilherme A.; Torres, Bayardo B.

    2011-01-01

    This work presents a convenient framework for developing interactive chemical education software to facilitate the integration of macroscopic, microscopic, and symbolic dimensions of chemical concepts--specifically, via the development of software for gel permeation chromatography. The instructional role of the software was evaluated in a study…

  11. Subcellular chemical and morphological analysis by stimulated Raman scattering microscopy and image analysis techniques

    PubMed Central

    D’Arco, Annalisa; Brancati, Nadia; Ferrara, Maria Antonietta; Indolfi, Maurizio; Frucci, Maria; Sirleto, Luigi

    2016-01-01

    The visualization of heterogeneous morphology, segmentation and quantification of image features is a crucial point for nonlinear optics microscopy applications, spanning from imaging of living cells or tissues to biomedical diagnostic. In this paper, a methodology combining stimulated Raman scattering microscopy and image analysis technique is presented. The basic idea is to join the potential of vibrational contrast of stimulated Raman scattering and the strength of imaging analysis technique in order to delineate subcellular morphology with chemical specificity. Validation tests on label free imaging of polystyrene-beads and of adipocyte cells are reported and discussed. PMID:27231626

  12. Subcellular chemical and morphological analysis by stimulated Raman scattering microscopy and image analysis techniques.

    PubMed

    D'Arco, Annalisa; Brancati, Nadia; Ferrara, Maria Antonietta; Indolfi, Maurizio; Frucci, Maria; Sirleto, Luigi

    2016-05-01

    The visualization of heterogeneous morphology, segmentation and quantification of image features is a crucial point for nonlinear optics microscopy applications, spanning from imaging of living cells or tissues to biomedical diagnostic. In this paper, a methodology combining stimulated Raman scattering microscopy and image analysis technique is presented. The basic idea is to join the potential of vibrational contrast of stimulated Raman scattering and the strength of imaging analysis technique in order to delineate subcellular morphology with chemical specificity. Validation tests on label free imaging of polystyrene-beads and of adipocyte cells are reported and discussed. PMID:27231626

  13. Spectral analysis of four meteors. [chemical compositions and spectral emissions

    NASA Technical Reports Server (NTRS)

    Harvey, G. A.

    1973-01-01

    Four meteor spectra are analyzed for chemical composition and radiative processes. The chemical compositions of the Taurid, Geminid, and Perseid meteors were found to be similar to that of a typical stony meteorite. The chemical composition of the sporadic meteor was found to be similar to that of a nickel iron meteorite. The radiation from optical meteors was found to be similar to that of a low temperature gas, except that strong, anomalous ionic radiation is superposed on the neutral radiation in bright, fast meteors.

  14. The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces.

    PubMed

    Willenbockel, M; Lüftner, D; Stadtmüller, B; Koller, G; Kumpf, C; Soubatch, S; Puschnig, P; Ramsey, M G; Tautz, F S

    2015-01-21

    What do energy level alignments at metal-organic interfaces reveal about the metal-molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators of bonding strengths? In this paper we analyse 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on the three canonical low index Ag surfaces to provide exemplary answers to these questions. Specifically, we employ angular resolved photoemission spectroscopy for a systematic study of the energy level alignments of the two uppermost frontier states in ordered monolayer phases of PTCDA. Data are analysed using the orbital tomography approach. This allows the unambiguous identification of the orbital character of these states, and also the discrimination between inequivalent species. Combining this experimental information with DFT calculations and the generic Newns-Anderson chemisorption model, we analyse the alignments of highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) with respect to the vacuum levels of bare and molecule-covered surfaces. This reveals clear differences between the two frontier states. In particular, on all surfaces the LUMO is subject to considerable bond stabilization through the interaction between the molecular π-electron system and the metal, as a consequence of which it also becomes occupied. Moreover, we observe a larger bond stabilization for the more open surfaces. Most importantly, our analysis shows that both the orbital binding energies of the LUMO and the overall adsorption heights of the molecule are linked to the strength of the chemical interaction between the molecular π-electron system and the metal, in the sense that stronger bonding leads to shorter adsorption heights and larger orbital binding energies. PMID:25475998

  15. Establishing relationships between chemical health stressors in urban traffic environments: Prediction of toluene concentration levels in European cities

    NASA Astrophysics Data System (ADS)

    Vlachokostas, Ch.; Chourdakis, E.; Michalidou, A. V.; Moussiopoulos, N.; Kelessis, A.; Petrakakis, M.

    2012-08-01

    Health can be impacted in many ways by exposure to chemical stressors in urban areas. Epidemiological research community has established consistent associations between traffic related air pollution and various health outcomes. Nevertheless, many urban environments, due to practical reasons (bulk of equipment) and mainly due to economical constraints, are characterised by the absence of the necessary monitoring infrastructure, for pollutants such as toluene. This chemical stressor is associated with numerous risks to human health, mainly with acute and chronic effects on the central nervous system. Due to the lack of monitoring data, it may be convenient to identify and establish a set of possible empirical relationships between health stressors in order to assess air quality trends of traffic related pollution in an urban area and support decision making. The use of environmental statistics can be meaningful towards this direction. This paper aims at developing and presenting a tractable approach, in order to reliably forecast toluene levels in EU urban environments. Multiple stepwise regression analysis is used for this purpose and a strong statistical relationship is detected mainly between toluene, benzene and CO. The adopted regression models are validated in order to depict their applicability and representativeness. In addition the models are applied to Thessaloniki, Greece, which is considered one of the most polluted cities within Europe. A comparison between available measurements, predictions based on the developed statistical models and air quality modelling output, provides discussion for transferability issues of such statistical relations between cities, but also interesting insights for the specific city. In general the presented results demonstrate that the adopted approach is capable of capturing toluene concentration trends and should be considered as complementary to air quality monitoring.

  16. Chemical evolution of leaked high-level liquid wastes in Hanford soils

    SciTech Connect

    NYMAN,MAY D.; KRUMHANSL,JAMES L.; ZHANG,PENGCHU; ANDERSON,HOWARD L.; NENOFF,TINA M.

    2000-05-19

    A number of Hanford tanks have leaked high level radioactive wastes (HLW) into the surrounding unconsolidated sediments. The disequilibrium between atmospheric C0{sub 2} or silica-rich soils and the highly caustic (pH > 13) fluids is a driving force for numerous reactions. Hazardous dissolved components such as {sup 133}Cs, {sup 79}Se, {sup 99}Tc may be adsorbed or sequestered by alteration phases, or released in the vadose zone for further transport by surface water. Additionally, it is likely that precipitation and alteration reactions will change the soil permeability and consequently the fluid flow path in the sediments. In order to ascertain the location and mobility/immobility of the radionuclides from leaked solutions within the vadose zone, the authors are currently studying the chemical reactions between: (1) tank simulant solutions and Hanford soil fill minerals; and (2) tank simulant solutions and C0{sub 2}. The authors are investigating soil-solution reactions at: (1) elevated temperatures (60--200 C) to simulate reactions which occur immediately adjacent a radiogenically heated tank; and (2) ambient temperature (25 C) to simulate reactions which take place further from the tanks. The authors studies show that reactions at elevated temperature result in dissolution of silicate minerals and precipitation of zeolitic phases. At 25 C, silicate dissolution is not significant except where smectite clays are involved. However, at this temperature CO{sub 2} uptake by the solution results in precipitation of Al(OH){sub 3} (bayerite). In these studies, radionuclide analogues (Cs, Se and Re--for Tc) were partially removed from the test solutions both during high-temperature fluid-soil interactions and during room temperature bayerite precipitation. Altered soils would permanently retain a fraction of the Cs but essentially all of the Se and Re would be released once the plume was past and normal groundwater came in contact with the contaminated soil. Bayerite

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

    EPA Science Inventory

    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...

  18. SIMULATION MODELS FOR ENVIRONMENTAL MULTIMEDIA ANALYSIS OF TOXIC CHEMICALS

    EPA Science Inventory

    Multimedia understanding of pollutant behavior in the environment is of particular concern for chemicals that are toxic and are subject to accumulation in the environmental media (air, soil, water, vegetation) where biota and human exposure is significant. Multimedia simulation ...

  19. 40 CFR 761.272 - Chemical extraction and analysis of samples.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical extraction and analysis of... Accordance with § 761.61(a)(2) § 761.272 Chemical extraction and analysis of samples. Use either Method... composite samples of PCB remediation waste. Use Method 8082 from SW-846, or a method validated under...

  20. Bootstrap confidence intervals in multi-level simultaneous component analysis.

    PubMed

    Timmerman, Marieke E; Kiers, Henk A L; Smilde, Age K; Ceulemans, Eva; Stouten, Jeroen

    2009-05-01

    Multi-level simultaneous component analysis (MLSCA) was designed for the exploratory analysis of hierarchically ordered data. MLSCA specifies a component model for each level in the data, where appropriate constraints express possible similarities between groups of objects at a certain level, yielding four MLSCA variants. The present paper discusses different bootstrap strategies for estimating confidence intervals (CIs) on the individual parameters. In selecting a proper strategy, the main issues to address are the resampling scheme and the non-uniqueness of the parameters. The resampling scheme depends on which level(s) in the hierarchy are considered random, and which fixed. The degree of non-uniqueness depends on the MLSCA variant, and, in two variants, the extent to which the user exploits the transformational freedom. A comparative simulation study examines the quality of bootstrap CIs of different MLSCA parameters. Generally, the quality of bootstrap CIs appears to be good, provided the sample sizes are sufficient at each level that is considered to be random. The latter implies that if more than a single level is considered random, the total number of observations necessary to obtain reliable inferential information increases dramatically. An empirical example illustrates the use of bootstrap CIs in MLSCA. PMID:18086338

  1. CERENA: ChEmical REaction Network Analyzer—A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics

    PubMed Central

    Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J.; Hasenauer, Jan

    2016-01-01

    Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/. PMID:26807911

  2. CERENA: ChEmical REaction Network Analyzer--A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics.

    PubMed

    Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J; Hasenauer, Jan

    2016-01-01

    Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/. PMID:26807911

  3. Methodology for Analysis of IAI District Level Data Bases.

    ERIC Educational Resources Information Center

    Milazzo, Patricia; And Others

    Instructional Accomplishment Information (IAI) Systems data bases provide the opportunity for new and powerful studies relevant to educational policy issues at a local and/or national level. This report discusses the methodology for "schooling policy studies." The procedures are illustrated using a yet-to-be-completed analysis of the Los Angeles…

  4. A Top Level Analysis of Training Management Functions.

    ERIC Educational Resources Information Center

    Ackerson, Jack

    1995-01-01

    Discusses how to conduct a top-level analysis of training management functions to identify problems within a training system resulting from rapid growth, the acquisition of new departments, or mergers. The data gathering process and analyses are explained, training management functions and activities are described, and root causes and solutions…

  5. STEM: Science Technology Engineering Mathematics. State-Level Analysis

    ERIC Educational Resources Information Center

    Carnevale, Anthony P.; Smith, Nicole; Melton, Michelle

    2011-01-01

    The science, technology, engineering, and mathematics (STEM) state-level analysis provides policymakers, educators, state government officials, and others with details on the projections of STEM jobs through 2018. This report delivers a state-by-state snapshot of the demand for STEM jobs, including: (1) The number of forecast net new and…

  6. Improved Devices for Collecting Sweat for Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Feedback, Daniel L.; Clarke, Mark S. F.

    2011-01-01

    Improved devices have been proposed for collecting sweat for biochemical analysis - especially for determination of the concentration of Ca2+ ions in sweat as a measure of loss of Ca from bones. Unlike commercially available sweat-collection patches used previously in monitoring osteoporosis and in qualitative screening for some drugs, the proposed devices would not allow evaporation of the volatile chemical components (mostly water) of sweat. Moreover, the proposed devices would be designed to enable determination of the volumes of collected sweat. From these volumes and the quantities of Ca(2+) and/or other analytes as determined by other means summarized below, one could determine the concentrations of the analytes in sweat. A device according to the proposal would be flexible and would be worn like a commercial sweat-collection patch. It would be made of molded polydimethylsiloxane (silicone rubber) or other suitable material having properties that, for the purpose of analyzing sweat, are similar to those of glass. The die for molding the silicone rubber would be fabricated by a combination of lithography and electroplating. The die would reproducibly form, in the silicone rubber, a precisely defined number of capillary channels per unit area, each channel having a precisely defined volume. Optionally, electrodes for measuring the Ca(2+) content of the sweat could be incorporated into the device. The volume of sweat collected in the capillary channels of the device would be determined from (1) the amount of light or radio waves of a given wavelength absorbed by the device and (2) the known geometry of the array of capillary channels. Then, in one of two options, centrifugation would be performed to move the sweat from the capillary tubes to the region containing the electrodes, which would be used to measure the Ca(2+) content by a standard technique. In the other option, centrifugation would be performed to remove the sweat from the device to make the sweat

  7. Improved Devices for Collecting Sweat for Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Feeback, Daniel L.; Clarke, Mark S. F.

    2011-01-01

    Improved devices have been proposed for collecting sweat for biochemical analysis especially for determination of the concentration of Ca2+ ions in sweat as a measure of loss of Ca from bones. Unlike commercially available sweat-collection patches used previously in monitoring osteoporosis and in qualitative screening for some drugs, the proposed devices would not allow evaporation of the volatile chemical components (mostly water) of sweat. Moreover, the proposed devices would be designed to enable determination of the volumes of collected sweat. From these volumes and the quantities of Ca2+ and/or other analytes as determined by other means summarized below, one could determine the concentrations of the analytes in sweat. A device according to the proposal would be flexible and would be worn like a commercial sweat-collection patch. It would be made of molded polydimethylsiloxane (silicone rubber) or other suitable material having properties that, for the purpose of analyzing sweat, are similar to those of glass. The die for molding the silicone rubber would be fabricated by a combination of lithography and electroplating. The die would reproducibly form, in the silicone rubber, a precisely defined number of capillary channels per unit area, each channel having a precisely defined volume. Optionally, electrodes for measuring the Ca2+ content of the sweat could be incorporated into the device. The volume of sweat collected in the capillary channels of the device would be determined from (1) the amount of light or radio waves of a given wavelength absorbed by the device and (2) the known geometry of the array of capillary channels. Then, in one of two options, centrifugation would be performed to move the sweat from the capillary tubes to the region containing the electrodes, which would be used to measure the Ca2+ content by a standard technique. In the other option, centrifugation would be performed to remove the sweat from the device to make the sweat available

  8. Comparative chemical analysis of dew and rain water

    NASA Astrophysics Data System (ADS)

    Lekouch, Imad; Mileta, Marina; Muselli, Marc; Milimouk-Melnytchouk, Irène; Šojat, Višnja; Kabbachi, Belkacem; Beysens, Daniel

    2010-02-01

    Dew and rain water were collected and analyzed during 3 years (2004-2006) in Zadar, Croatia. The goal was to characterize the chemical properties of dew water versus rain water (and the atmosphere in which they form) and to determine the extent to which they can be used as potable water. The corresponding parameters were measured: pH, electrical conductivity (EC), major anions (HCO 3-, Cl -, SO 42-, NO 3-), and major cations (NH 4+, Na +, K +, Ca 2+, Mg 2+). The mean pH and EC values were comparable for both dew and rain water, pH = 6.7 (dew) and pH = 6.35 (rain), EC = 195 µS cm - 1 (dew) and EC = 178 µS cm - 1 (rain). The ratio (SO 42- + NO 3-)/(Ca 2+ + Mg 2+) was lower than 1, indicating the alkaline nature of both dew and rain water. Both dew and rain water exhibited low mineralization. The analysis of the major ions showed that the concentration of cations is high compared to that of anions (presumably because the NO 2-, HCOO - and CH 3COO - ions were not measured), with Ca² +, Na + and Mg 2+ as the main ions. In order to discriminate between the marine and non-marine origin of ions, the sea-salt fraction (SSF) was calculated by taking Na + as a reference. The small SSF value in dew suggests a considerable contribution of non-marine origin for components Ca ²+, K +, SO 42- and NO 3-, except Cl -. In contrast, in rain water, the values of the non sea-salt fraction (NSSF) indicate that only Ca² + and NO 3- are not influenced by sea proximity. The study of the neutralization factor, NF, reveals the descending order of the cations in dew and rain water, NF Ca²+ > NF Mg²+ > NF K+ > NF NH4+. The dew and rain water are in conformity with the World Health Organization directives for potability, except for Mg 2+.

  9. Secondary Low-Level Waste Treatment Strategy Analysis

    SciTech Connect

    D.M. LaRue

    1999-05-25

    The objective of this analysis is to identify and review potential options for processing and disposing of the secondary low-level waste (LLW) that will be generated through operation of the Monitored Geologic Repository (MGR). An estimate of annual secondary LLW is generated utilizing the mechanism established in ''Secondary Waste Treatment Analysis'' (Reference 8.1) and ''Secondary Low-Level Waste Generation Rate Analysis'' (Reference 8.5). The secondary LLW quantities are based on the spent fuel and high-level waste (HLW) arrival schedule as defined in the ''Controlled Design Assumptions Document'' (CDA) (Reference 8.6). This analysis presents estimates of the quantities of LLW in its various forms. A review of applicable laws, codes, and standards is discussed, and a synopsis of those applicable laws, codes, and standards and their impacts on potential processing and disposal options is presented. The analysis identifies viable processing/disposal options in light of the existing laws, codes, and standards, and then evaluates these options in regard to: (1) Process and equipment requirements; (2) LLW disposal volumes; and (3) Facility requirements.

  10. Economic Analysis of the Leveled Cost of Electricity Generation

    SciTech Connect

    Alonso, Gustavo; Ramirez, J. Ramon; Palacios, Javier C.

    2006-07-01

    Nuclear option is currently a cost competitive option due to among other things the high natural gas prices volatility. Currently, the overnight cost for a new nuclear power plant is estimated between 1200 and 1600 USD/kW with an output power between 1100 and 1600 MWe, construction time, from first concrete to commercial operation, is about five years as it has been demonstrated in the last reactors built in Asia (e.g. Japan and China). In this paper a leveled electricity cost analysis is performed to compared different scenarios of electricity generation using combined cycles by using natural gas and nuclear power stations. A nuclear reactor leveled cost analysis for several overnight costs is performed. Also a sensitivity analysis for construction time and capacity factors is offered. The scenarios considered comprise three different discount rates, 5%, 8% and 10%. (authors)

  11. Evaluating multimedia chemical persistence: Classification and regression tree analysis

    SciTech Connect

    Bennett, D.H.; McKone, T.E.; Kastenberg, W.E.

    2000-04-01

    For the thousands of chemicals continuously released into the environment, it is desirable to make prospective assessments of those likely to be persistent. Widely distributed persistent chemicals are impossible to remove from the environment and remediation by natural processes may take decades, which is problematic if adverse health or ecological effects are discovered after prolonged release into the environment. A tiered approach using a classification scheme and a multimedia model for determining persistence is presented. Using specific criteria for persistence, a classification tree is developed to classify a chemical as persistent or nonpersistent based on the chemical properties. In this approach, the classification is derived from the results of a standardized unit world multimedia model. Thus, the classifications are more robust for multimedia pollutants than classifications using a single medium half-life. The method can be readily implemented and provides insight without requiring extensive and often unavailable data. This method can be used to classify chemicals when only a few properties are known and can be used to direct further data collection. Case studies are presented to demonstrate the advantages of the approach.

  12. Evaluating Chemical Persistence in a Multimedia Environment: ACART Analysis

    SciTech Connect

    Bennett, D.H.; McKone, T.E.; Kastenberg, W.E.

    1999-02-01

    For the thousands of chemicals continuously released into the environment, it is desirable to make prospective assessments of those likely to be persistent. Persistent chemicals are difficult to remove if adverse health or ecological effects are later discovered. A tiered approach using a classification scheme and a multimedia model for determining persistence is presented. Using specific criteria for persistence, a classification tree is developed to classify a chemical as ''persistent'' or ''non-persistent'' based on the chemical properties. In this approach, the classification is derived from the results of a standardized unit world multimedia model. Thus, the classifications are more robust for multimedia pollutants than classifications using a single medium half-life. The method can be readily implemented and provides insight without requiring extensive and often unavailable data. This method can be used to classify chemicals when only a few properties are known and be used to direct further data collection. Case studies are presented to demonstrate the advantages of the approach.

  13. A nonstationary analysis for the Northern Adriatic extreme sea levels

    NASA Astrophysics Data System (ADS)

    Masina, Marinella; Lamberti, Alberto

    2013-09-01

    The historical data from the Trieste, Venice, Porto Corsini, and Rimini tide gauges have been used to investigate the spatial and temporal changes in extreme high water levels in the Northern Adriatic. A detailed analysis of annual mean sea level evolution at the three longest operating stations shows a coherent behavior both on a regional and global scale. A slight increase in magnitude of extreme water elevations, after the removal of the regularized annual mean sea level necessary to eliminate the effect of local subsidence and sea level rise, is found at the Venice and Porto Corsini stations. It seems to be mainly associated with a wind regime change occurred in the 1990s, due to an intensification of Bora wind events after their decrease in frequency and intensity during the second half of the 20th century. The extreme values, adjusted for the annual mean sea level trend, are modeled using a time-dependent GEV distribution. The inclusion of seasonality in the GEV parameters considerably improves the data fitting. The interannual fluctuations of the detrended monthly maxima exhibit a significant correlation with the variability of the large-scale atmospheric circulation represented by the North Atlantic Oscillation and Arctic Oscillation indices. The different coast exposure to the Bora and Sirocco winds and their seasonal character explain the various seasonal patterns of extreme sea levels observed at the tide gauges considered in the present analysis.

  14. Efficient Multidisciplinary Analysis Procedure Using Multi-Level Parallelization Approach

    NASA Technical Reports Server (NTRS)

    Byun, Chansup; Hatay, Ferhat; Farhangnia, Mehrdad; Guruswamy, Guru; VanDalsem, William R. (Technical Monitor)

    1997-01-01

    Multidisciplinary applications are suitable for parallel computing environment by adopting the domain decomposition method. Immediately, a multidisciplinary application can be parallelized by solving each discipline separately. In order to perform coupled multidisciplinary analysis, coupling of each discipline can be accomplished by exchanging boundary data at the interfaces. This is regarded as discipline-level parallelization. Next level could be a "coarse-grain" parallelization of each discipline, which mainly depends on the physical geometry and nature of each discipline. For example, it is almost impossible for structured-grid based computational fluid dynamics codes to do flow analysis of an aircraft by using a single grid because of the complexity of its configuration. Thus, multi-block grid is commonly used to describe the details of complex geometry. Similarly, in structural analysis, the structure is frequently subdivided into substructures. Thus, the computation of each subdomain can be easily parallelized since each subdomain is solved separately independent of other domains. The parallelization is accomplished by solving each subdomain separately on a separate processor and exchanging the boundary conditions at domain interfaces periodically. However, the physical decomposition of the domain introduces explicit boundary conditions at the domain interfaces. This is not desirable for critical areas such as those containing shock waves or flow separations. Thus, a "fine-grain" parallelization is introduced to overcome this problem. The "fine-grain" parallelization is one that solves exactly the same system of equations of a subdomain by using more than one processors without introducing any explicit boundary conditions. An efficient multidisciplinary analysis procedure can be accomplished by successfully combining the above multi-level parallelism. A multidisciplinary analysis code, ENSAERO developed at NASA Ames Research Center is used in this study to

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

    SciTech Connect

    Rabitz, H.

    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.

  16. Cardiotoxic changes of colchicine intoxication in rats: electrocardiographic, histopathological and blood chemical analysis.

    PubMed

    Tochinai, Ryota; Suzuki, Katsuya; Nagata, Yuriko; Ando, Minoru; Hata, Chie; Komatsu, Kayoko; Suzuki, Tomo; Uchida, Kazumi; Kado, Shoichi; Kaneko, Kimiyuki; Kuwahara, Masayoshi

    2014-10-01

    The microtubule inhibitor colchicine is cardiotoxic and is suggested to impair impulse formation and conduction. However, little is known about the electrocardiographic (ECG) changes induced by colchicine in experimental animals and the detailed pathogenesis of its cardiotoxicity. Therefore, we analyzed cardiotoxicity in colchicine-treated rats using electrocardiographic, histopathological and blood-chemistry approaches. A telemetry device for transmitting ECG data was implanted into male Crl:CD(SD) rats, and ECG tracings were obtained. At 6 weeks of age, 1.25 mg/kg colchicine was injected intravenously once daily for 2 consecutive days, and ECG waveforms and heart rate variability were analyzed. Furthermore, 1.25 mg/kg colchicine or vehicle was injected for 1 or 2 consecutive days in other rats at 6 weeks of age. One day after the final dosing, heart and blood samples were taken for histopathological and bloodchemical examination. ECG analysis revealed a prolonged RR interval, QRS duration, PR interval and QT interval. Heart rate variability analysis showed an increase in high frequency (HF) components as an index of parasympathetic nervous activity. In blood chemical examinations, colchicine induced high levels of parameters of cardiac injury and low levels and/or variations in Ca, inorganic phosphorus, potassium and chloride. Histopathologically, colchicine-treated rats showed eosinophilic granular degeneration and cytoplasmic vacuolation of ventricular myocardial cells but no remarkable change in the atrioventricular node. Not only blood chemical and histopathological changes but also ECG changes were induced in colchicine-treated rats, which indicated a decrease in myocardium excitability and conductivity, and these changes might be related to increased parasympathetic nervous activity and low blood Ca levels. PMID:25378807

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

    NASA Astrophysics Data System (ADS)

    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.

  18. The comparison of flow injection analysis and quartz chemical sensors for the determination of hydrazine

    SciTech Connect

    Smith, K.J.

    1992-01-01

    Due to the wide variety of its uses, hydrazine is present in many different work environments. Hydrazine is a suspect human carcinogen and poses a potential health risk if a person is exposed to hydrazine. The levels of hydrazine in the work environment must be monitored to avert potential health risks. Two different methods are investigated as possible monitors for hydrazine in a work environment. The primary goal of this research is to compare a flow injection analysis (FIA) method and a quartz chemical sensor for the determination of hydrazine vapor at sub ppm levels. The first study involves a comparison of FIA methods for direct hydrazine determination in the liquid phase. This study demonstrates the optimum conditions for the types of chemistry being investigated. This information is carried forward to a second study involving a comparison of gas diffusion FIA methods for hydrazine analysis. A third study develops and defines important principles in reverse dual phase gas diffusion FIA. A method for determining carbon dioxide is used to demonstrate these principles. A fourth study applies the information about the chemistry of hydrazine from the second study to the reverse dual phase gas diffusion FIA system developed for carbon dioxide. A fifth study demonstrates the applicability of quartz chemical sensors for hydrazine analysis. This study involves both surface acoustic wave devices (SAWs) and quartz crystal microbalances (QCMs). A summary follows these different studies which compares the success of each method. The criteria of evaluation are reviewed. New developments resulting from this research are presented. A final addendum includes work done on the automation of a method for free chlorine determination.

  19. Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid.

    PubMed

    Beaula, T Joselin; Packiavathi, A; Manimaran, D; Joe, I Hubert; Rastogi, V K; Jothy, V Bena

    2015-03-01

    Density Functional Theory (DFT) calculations at B3PW91 level with 6-311G (d) basis sets were carried out for 2,3-Pyrazinedicarboxylic acid (PDCA) to analyze in detail the equilibrium geometries and vibrational spectra. Calculations reveal that the optimized geometry closely resembles the experimental XRD data. Vibrational spectra were analyzed on the basis of potential energy distribution (PED) of each vibrational mode, which provides quantitative as well as qualitative interpretation of IR and Raman spectra. Information about size, shape, charge density distribution and site of chemical reactivity of the molecule were obtained by mapping electron density isosurface with the electrostatic potential surface (ESP). Based on optimized ground state geometries, NBO analysis was performed to study donor-acceptor (bond-antibond) interactions. TD-DFT analysis was also performed to calculate energies, oscillator strength of electronic singlet-singlet transitions and the absorption wavelengths. The (13)C and (1)H nuclear magnetic resonance (NMR) chemical shifts of the molecule in the ground state were calculated by gauge independent atomic orbital (GIAO) method and compared with the experimental values. PDCA was screened for its antimicrobial activity and found to exhibit antifungal and antibacterial effects. Molecular docking was also performed for the different receptors. PMID:25544188

  20. Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

    NASA Astrophysics Data System (ADS)

    Beaula, T. Joselin; Packiavathi, A.; Manimaran, D.; Joe, I. Hubert; Rastogi, V. K.; Jothy, V. Bena

    2015-03-01

    Density Functional Theory (DFT) calculations at B3PW91 level with 6-311G (d) basis sets were carried out for 2,3-Pyrazinedicarboxylic acid (PDCA) to analyze in detail the equilibrium geometries and vibrational spectra. Calculations reveal that the optimized geometry closely resembles the experimental XRD data. Vibrational spectra were analyzed on the basis of potential energy distribution (PED) of each vibrational mode, which provides quantitative as well as qualitative interpretation of IR and Raman spectra. Information about size, shape, charge density distribution and site of chemical reactivity of the molecule were obtained by mapping electron density isosurface with the electrostatic potential surface (ESP). Based on optimized ground state geometries, NBO analysis was performed to study donor-acceptor (bond-antibond) interactions. TD-DFT analysis was also performed to calculate energies, oscillator strength of electronic singlet-singlet transitions and the absorption wavelengths. The 13C and 1H nuclear magnetic resonance (NMR) chemical shifts of the molecule in the ground state were calculated by gauge independent atomic orbital (GIAO) method and compared with the experimental values. PDCA was screened for its antimicrobial activity and found to exhibit antifungal and antibacterial effects. Molecular docking was also performed for the different receptors.

  1. Qualitative Analysis of Fourteen White Solids and Two Mixtures Using Household Chemicals

    NASA Astrophysics Data System (ADS)

    Oliver-Hoyo, Maria; Allen, Deedee; Solomon, Sally; Brook, Bryan; Ciraolo, Justine; Daly, Shawn; Jackson, Leia

    2001-11-01

    This is a revised and expanded version of a previously published qualitative analysis scheme for the identification of 11 white solids using materials readily available in drugstores, supermarkets, or variety stores. Phenolphthalein has been eliminated because the FDA banned its use in over-the-counter laxatives; instead, tests for pH are conducted using red cabbage indicator. Once commonly used by diabetics to test urine, copper reduction tablets are no longer widely available and are replaced by a mixture of ingredients. Three white solids and two types of mixtures, commercial antacid tablets and baking powder, have been added to the scheme. All procedures can be done with the simplest of equipment. Amounts of solids are measured volumetrically and heat is supplied by contact with hot tap water. The use of household chemicals reduces waste disposal problems while making the experiment suitable for a laboratory exercise in a distance-learning course. This experiment can be adapted for many levels of instruction. In middle school only the safer tests should be included; honors general chemistry students can be asked to design an analysis scheme for the 14 household chemicals.

  2. HANDBOOK: METHODS FOR CHEMICAL ANALYSIS OF WATER AND WASTES

    EPA Science Inventory

    Originally printed in 1973, this revised publication contains procedures for the chemical measurements required under Section 304(g) of Public Law 92-500 for use in the National Pollutant Discharge Elimination System (NPDES). umber of new methods are also included in this version...

  3. Sampling of vehicle emissions for chemical analysis and biological testing.

    PubMed Central

    Schuetzle, D

    1983-01-01

    Representative dilution tube sampling techniques for particulate and gas phase vehicle emissions are described using Teflon filter media and XAD-2 resin. More than 90% of the total gas (C8-C18) and particulate direct acting Ames assay mutagenicity (TA 98) was found in the particulate phase. The gas and particulate phase material was fractionated by HPLC into nonpolar, moderately polar and highly polar chemical fractions. The moderately polar chemical fraction of the particulates contained more than 50% of the direct acting Ames assay mutagenicity for the total extract. The concentration of oxygenated polynuclear aromatic hydrocarbons (oxy-PAH) and nitrated PAH (nitro-PAH) identified in the moderately polar particulate fractions are given. Nitro-PAH account for most of the direct-acting (TA 98) Ames assay mutagenicity in these moderately polar fractions. Reactions and kinetic expressions for chemical conversion of PAH are presented. Chemical conversion of PAH to nitro-PAH during dilution tube sampling of particulates on Teflon filters and gases on XAD-2 resin is a minor problem (representing 10-20%, on the average, of the 1-nitropyrene found in extracts) at short (46 min) sampling times, at low sampling temperatures (42 degrees C), and in diluted exhaust containing 3 ppm NO2. Particulate emissions collected from dilution tubes on filter media appear to be representative of what is emitted in the environment as based upon a comparison of highway and laboratory studies. PMID:6186484

  4. An Analysis of the Algebraic Method for Balancing Chemical Reactions.

    ERIC Educational Resources Information Center

    Olson, John A.

    1997-01-01

    Analyzes the algebraic method for balancing chemical reactions. Introduces a third general condition that involves a balance between the total amount of oxidation and reduction. Requires the specification of oxidation states for all elements throughout the reaction. Describes the general conditions, the mathematical treatment, redox reactions, and…

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

    ERIC Educational Resources Information Center

    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…

  6. Analysis of chemical coal cleaning processes. Final report

    SciTech Connect

    Not Available

    1980-06-01

    Six chemical coal cleaning processes were examined. Conceptual designs and costs were prepared for these processes and coal preparation facilities, including physical cleaning and size reduction. Transportation of fine coal in agglomerated and unagglomerated forms was also discussed. Chemical cleaning processes were: Pittsburgh Energy Technology Center, Ledgemont, Ames Laboratory, Jet Propulsion Laboratory (two versions), and Guth Process (KVB). Three of the chemical cleaning processes are similar in concept: PETC, Ledgemont, and Ames. Each of these is based on the reaction of sulfur with pressurized oxygen, with the controlling factor being the partial pressure of oxygen in the reactor. All of the processes appear technically feasible. Economic feasibility is less certain. The recovery of process chemicals is vital to the JPL and Guth processes. All of the processes consume significant amounts of energy in the form of electric power and coal. Energy recovery and increased efficiency are potential areas for study in future more detailed designs. The Guth process (formally designed KVB) appears to be the simplest of the systems evaluated. All of the processes require future engineering to better determine methods for scaling laboratory designs/results to commercial-scale operations. A major area for future engineering is to resolve problems related to handling, feeding, and flow control of the fine and often hot coal.

  7. Energy level modeling of lanthanide materials: review and uncertainty analysis.

    PubMed

    Joos, Jonas J; Poelman, Dirk; Smet, Philippe F

    2015-07-15

    Energy level schemes are an essential tool for the description and interpretation of atomic spectra. During the last 40 years, several empirical methods and relationships were devised for constructing energy level schemes of lanthanide defects in wide band gap solids, culminating in the chemical shift model by Thiel and Dorenbos. This model allows us to calculate the electronic and optical properties of the considered materials. However, an unbiased assessment of the accuracy of the obtained values of the calculated parameters is still lacking to a large extent. In this paper, error margins for calculated electronic and optical properties are deduced. It is found that optical transitions can be predicted within an acceptable error margin, while the description of phenomena involving conduction band states is limited to qualitative interpretation due to the large error margins for physical observables such as thermal quenching temperature, corresponding to standard deviations in the range 0.3-0.5 eV for the relevant energy differences. As an example, the electronic structure of lanthanide doped calcium thiogallate (CaGa2S4) is determined, taking the experimental spectra of CaGa2S4:Ln(Q+) (Ln(Q+) = Ce(3+), Eu(2+), Tm(3+)) as input. Two different approaches to obtain the shape of the zig-zag curves connecting the 4f levels of the different lanthanides are explored and compared. PMID:26129935

  8. Nuclear and radiochemical techniques in chemical analysis. Final report

    SciTech Connect

    Finston, H.L.; Williams, E.T.

    1981-06-01

    The areas studied during the period of the contract included determinations of cross sections for nuclear reactions, determination of neutron capture cross sections of radionuclides, application of special activation techniques, and x-ray counting, elucidation of synergic solvent extraction mechanisms and development of new solvent extraction techniques, and the development of a PIXE analytical facility. The thermal neutron capture cross section of /sup 22/Na was determined, and cross sections and energy levels were determined for /sup 20/Ne(n,..cap alpha..)/sup 17/O, /sup 20/Ne(n,P)/sup 20/F, and /sup 40/Ar(n,..cap alpha..)/sup 37/S. Inelastic scattering with 2 to 3 MeV neutrons followed by counting of the metastable states permits analysis of the following elements: In, Sr, Cd, Hg, and Pb. Bromine can be detected in the presence of a 500-fold excess of Na and/or K by thermal neutron activation and x-ray counting, and as little as 0.3 x 10/sup -9/ g of Hg can be detected by this technique. Mediun energy neutrons (10 to 160 MeV) have been used to determine Tl, Pb, and Bi by (n,Xn) and (n,PXn) reactions. The reaction /sup 19/F(P,..cap alpha..)/sup 76/O has been used to determine as little as 50 ..mu..mol of Freon -14. Mechanisms for synergic solvent extractions have been elucidated and a new technique of homogeneous liquid-liquid solvent extraction has been developed in which the neutral complex is rapidly extracted propylene carbonate by raising and lowering the temperature of the system. An external-beam PIXE system has been developed for trace element analyses of a variety of sample types. Various sample preparation techniques have been applied to a diverse range of samples including marine sediment, coral, coal, and blood.

  9. Dermal permeation data and models for the prioritization and screening-level exposure assessment of organic chemicals.

    PubMed

    Brown, Trevor N; Armitage, James M; Egeghy, Peter; Kircanski, Ida; Arnot, Jon A

    2016-09-01

    High-throughput screening (HTS) models are being developed and applied to prioritize chemicals for more comprehensive exposure and risk assessment. Dermal pathways are possible exposure routes to humans for thousands of chemicals found in personal care products and the indoor environment. HTS exposure models rely on skin permeability coefficient (KP; cm/h) models for exposure predictions. An initial database of approximately 1000 entries for empirically-based KP data was compiled from the literature and a subset of 480 data points for 245 organic chemicals derived from testing with human skin only and using only water as a vehicle was selected. The selected dataset includes chemicals with log octanol-water partition coefficients (KOW) ranging from -6.8 to 7.6 (median=1.8; 95% of the data range from -2.5 to 4.6) and molecular weight (MW) ranging from 18 to 765g/mol (median=180); only 3% >500g/mol. Approximately 53% of the chemicals in the database have functional groups which are ionizable in the pH range of 6 to 7.4, with 31% being appreciably ionized. The compiled log KP values ranged from -5.8 to 0.1cm/h (median=-2.6). The selected subset of the KP data was then used to evaluate eight representative KP models that can be readily applied for HTS assessments, i.e., parameterized with KOW and MW. The analysis indicates that a version of the SKINPERM model performs the best against the selected dataset. Comparisons of representative KP models against model input parameter property ranges (sensitivity analysis) and against chemical datasets requiring human health assessment were conducted to identify regions of chemical properties that should be tested to address uncertainty in KP models and HTS exposure assessments. PMID:27282209

  10. First level release of 2GCHAS for comprehensive helicopter analysis

    NASA Technical Reports Server (NTRS)

    Ormiston, Robert A.; Ruzicka, Gene C.; Tan, Carina M.; Rutkowski, Michael J.

    1991-01-01

    Consideration is given to the Second Generation Comprehensive Helicopter Analysis System (2GCHAS) under development by the Aeroflightdynamics Directorate of the U.S. Army Aviation Systems Command to provide a significant advance in rotorcraft analysis capability. The recent progress that led to the completion of the first-level release in December 1990 is described. The project management approach, 2GCHAS engineering capabilities and features, documentation, and the user interface are also examined. The spanwise bound circulation distribution of the fixed wing calculated with the vortex wake system, and ground resonance frequency and damping results are illustrated in graphic form.

  11. A novel inlet system for online chemical analysis of semi-volatile submicron particulate matter

    NASA Astrophysics Data System (ADS)

    Eichler, P.; Müller, M.; D'Anna, B.; Wisthaler, A.

    2015-03-01

    We herein present a novel modular inlet system designed to be coupled to low-pressure gas analyzers for online chemical characterization of semi-volatile submicron particles. The "chemical analysis of aerosol online" (CHARON) inlet consists of a gas-phase denuder for stripping off gas-phase analytes, an aerodynamic lens for particle collimation combined with an inertial sampler for the particle-enriched flow and a thermodesorption unit for particle volatilization prior to chemical analysis. The denuder was measured to remove gas-phase organics with an efficiency > 99.999% and to transmit particles in the 100-750 nm size range with a 75-90% efficiency. The measured average particle enrichment factor in the subsampling flow from the aerodynamic lens was 25.6, which is a factor of 3 lower than the calculated theoretical optimum. We coupled the CHARON inlet to a proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS) which quantitatively detects most organic analytes and ammonia. The combined CHARON-PTR-ToF-MS setup is thus capable of measuring both the organic and the ammonium fraction in submicron particles in real time. Individual organic compounds can be detected down to levels of 10-20 ng m-3. Two proof-of-principle studies were carried out for demonstrating the analytical power of this new instrumental setup: (i) oxygenated organics and their partitioning between the gas and the particulate phase were observed from the reaction of limonene with ozone and (ii) nicotine was measured in cigarette smoke particles demonstrating that selected organic target compounds can be detected in submicron particles in real time.

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

    PubMed Central

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

    2016-01-01

    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. PMID:26842459

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

    NASA Astrophysics Data System (ADS)

    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.

  14. On-line sample preconcentration with chemical derivatization of bacterial biomarkers by capillary electrophoresis: a dual strategy for integrating sample pretreatment with chemical analysis.

    PubMed

    Ptolemy, Adam S; Le Bihan, Marianne; Britz-McKibbin, Philip

    2005-11-01

    Simple, selective yet sensitive methods to quantify low-abundance bacterial biomarkers derived from complex samples are required in clinical, biological, and environmental applications. In this report, a new strategy to integrate sample pretreatment with chemical analysis is investigated using on-line preconcentration with chemical derivatization by CE and UV detection. Single-step enantioselective analysis of muramic acid (MA) and diaminopimelic acid (DAP) was achieved by CE via sample enrichment by dynamic pH junction with ortho-phthalaldehyde/N-acetyl-L-cysteine labeling directly in-capillary. The optimized method resulted in up to a 100-fold enhancement in concentration sensitivity compared to conventional off-line derivatization procedures. The method was also applied toward the detection of micromolar levels of MA and DAP excreted in the extracellular medium of Escherichia coli bacterial cell cultures. On-line preconcentration with chemical derivatization by CE represents a unique approach for conducting rapid, sensitive, and high-throughput analyses of other classes of amino acid and amino sugar metabolites with reduced sample handling, where the capillary functions simultaneously as a concentrator, microreactor, and chiral selector. PMID:16200529

  15. Do High School Chemistry Examinations Inhibit Deeper Level Understanding of Dynamic Reversible Chemical Reactions?

    ERIC Educational Resources Information Center

    Wheeldon, R.; Atkinson, R.; Dawes, A.; Levinson, R.

    2012-01-01

    Background and purpose: Chemistry examinations can favour the deployment of algorithmic procedures like Le Chatelier's Principle (LCP) rather than reasoning using chemical principles. This study investigated the explanatory resources which high school students use to answer equilibrium problems and whether the marks given for examination answers…

  16. Correct Interpretation of Chemical Diagrams Requires Transforming from One Level of Representation to Another

    ERIC Educational Resources Information Center

    Chittleborough, Gail; Treagust, David

    2008-01-01

    Volunteer non-major chemistry students taking an introductory university chemistry course (n = 17) were interviewed about their understanding of a variety of chemical diagrams. All the students' interviewed appreciated that diagrams of laboratory equipment were useful to show how to set up laboratory equipment. However students' ability to explain…

  17. LEVELS OF CHEMICAL CONTAMINANTS IN NONOCCUPATIONALLY EXPOSED U.S. RESIDENTS

    EPA Science Inventory

    This report is a compilation of information on chemical contaminants resulting from environmental pollution and found in nonoccupationally exposed U.S. residents. Listed in tabular form for each of approximately 100 elements or compounds are: the tissue the compound was found in;...

  18. STUDIES RELATED TO CHEMICAL MECHANISMS OF GAS FORMATION IN HANFORD HIGH-LEVEL NUCLEAR WASTES

    EPA Science Inventory

    The research has its origin in studies at Georgia Tech into the chemical (as opposed to radiolytic) mechanisms of gas formation (H2, N2O, N2, and NH3) in nuclear waste storage tanks at Hanford, Washington, which has been supported since 1991 under DOE's comprehensive Flammable Ga...

  19. A Novel PTR-ToF-MS Inlet System for On-line Chemical Analysis of SOA

    NASA Astrophysics Data System (ADS)

    Eichler, Philipp; Müller, Markus; D'Anna, Barbara; Wisthaler, Armin

    2014-05-01

    Secondary organic aerosol (SOA) is formed from biogenic and anthropogenic precursors in the atmosphere. Because of its impact on human health and the environment there is a strong interest in understanding the chemistry of SOA formation and transformation. Its volatility, chemical complexity and reactivity and low ambient concentrations challenge the chemical analysis of SOA. Here we present a novel analytical setup for on-line measurements of SOA under ambient conditions by chemical ionization mass spectrometry. The method overcomes current limitations in the chemical analysis of SOA by combining on-line enrichment of the particle concentration and on-line mass spectrometric detection using soft chemical ionization. On-line sampling allows for highly time-resolved analysis of organic aerosol compounds and avoids potential sampling artifacts from sample pre-collection and pretreatment. The deployment of a soft ionization method minimizes the fragmentation of fragile organic aerosol compounds in the mass spectrometer. A proton-transfer-reaction time-of-flight mass-spectrometer (PTR-ToF-MS) is combined with a three-stage aerosol inlet system consisting of an activated carbon monolith denuder, an aerodynamic lens (ADL) and a thermodesorption unit. The denuder strips off gas-phase organic compounds and the ADL enriches the particle concentration in the sample flow. Ultimately, organic aerosol compounds are volatilized at 120 °C in the thermodesorption unit before being introduced into the PTR-ToF-MS system for chemical analysis. The ADL is designed to increase the particle concentration in the sample flow by a factor of up to 50 for particles in the size range between 50 and 1000 nm. This novel enrichment step enables the real-time in situ analysis of SOA at sub µg/m³-levels by PTR-ToF-MS. This work is funded through the PIMMS ITN, which is supported by the European Commission's 7th Framework Programme under grant agreement number 287382.

  20. Chemical analysis of charged Li/SO(sub)2 cells

    NASA Technical Reports Server (NTRS)

    Subbarao, S.; Lawson, D.; Frank, H.; Halpert, G.; Barnes, J.; Bis, R.

    1987-01-01

    The initial focus of the program was to confirm that charging can indeed result in explosions and constitute a significant safety problem. Results of this initial effort clearly demonstrated that cells do indeed explode on charge and that charging does indeed constitute a real and severe safety problem. The results of the effort to identify the chemical reactions involved in and responsible for the observed behavior are described.

  1. Environmental Chemical Analysis (by B. B. Kebbekus and S. Mitra)

    NASA Astrophysics Data System (ADS)

    Bower, Reviewed By Nathan W.

    1999-11-01

    This text helps to fill a void in the market, as there are relatively few undergraduate instrumental analysis texts designed specifically for the expanding population of environmental science students. R. N. Reeve's introductory, open-learning Environmental Analysis (Wiley, 1994) is one of the few, and it is aimed at a lower level and is less appropriate for traditional classroom study. Kebbekus and Mitra's book appears to be an update of I. Marr and M. Cresser's excellent 1983 text by the same name (and also published under the Chapman and Hall imprint). It assumes no background in instrumental methods of analysis but it does depend upon a good general chemistry background in kinetic and equilibrium calculations and the standard laboratory techniques found in a classical introduction to analytical chemistry. The slant taken by the authors is aimed more toward engineers, not only in the choice of topics, but also in how they are presented. For example, the statistical significance tests presented follow an engineering format rather than the standard used in analytical chemistry. This approach does not detract from the book's clarity. The writing style is concise and the book is generally well written. The earlier text, which has become somewhat of a classic, took the unusual step of teaching the instruments in the context of their environmental application. It was divided into sections on the "atmosphere", the "hydrosphere", the "lithosphere", and the "biosphere". This text takes a similar approach in the second half, with chapters on methods for air, water, and solid samples. Users who intend to use the book as a text instead of a reference will appreciate the addition of chapters in the first half of the book on spectroscopic, chromatographic, and mass spectrometric methods. The six chapters in these two parts of the book along with four chapters scattered throughout on environmental measurements, sampling, sample preparation, and quality assurance make a nice

  2. Tattoo inks: legislation, pigments, metals and chemical analysis.

    PubMed

    Prior, Gerald

    2015-01-01

    Legal limits for chemical substances require that they are linked to clearly defined analytical methods. Present limits for certain chemicals in tattoo and permanent make-up inks do not mention analytical methods for the detection of metals, polycyclic aromatic hydrocarbons or forbidden colourants. There is, therefore, no established method for the determination of the quantities of these chemicals in tattoo and permanent make-up inks. Failing to provide an appropriate method may lead to unqualified and questionable results which often cause legal disputes that are ultimately resolved by a judge with regard to the method that should have been applied. Analytical methods are tuned to exactly what is to be found and what causes the health problems. They are extremely specific. Irrespective of which is the correct method for detecting metals in tattoo inks, the focus should be on the actual amounts of ink in the skin. CTL® has conducted experiments to determine these amounts and these experiments are crucial for toxicological evaluations and for setting legal limits. When setting legal limits, it is essential to also incorporate factors such as daily consumption, total uptake and frequency of use. A tattoo lasts for several decades; therefore, the limits that have been established for heavy metals used in drinking water or soap are not relevant. Drinking water is consumed on a daily basis and soap is used several times per week, while tattooing only occurs once. PMID:25833637

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

    PubMed

    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. PMID:24274311

  4. Atomic-level investigation of the growth of Si/Ge by ultrahigh vacuum chemical vapor deposition

    SciTech Connect

    Lin, D.; Miller, T.; Chiang, T.

    1997-05-01

    Si and Ge films can be prepared under ultrahigh vacuum conditions by chemical vapor deposition using disilane and digermane as source gases. These gases offer a high sticking probability, and are suitable for atomic layer epitaxy. Using synchrotron radiation photoemission spectroscopy and scanning tunneling microscopy, we have examined the surface processes associated with the heteroepitaxial growth of Ge/Si. The measured surface-induced shifts and chemical shifts of the Si 2p and Ge 3d core levels allow us to identify the surface species and to determine the surface chemical composition, and this information is correlated with the atomic features observed by scanning tunneling microscopy. Issues related to precursor dissociation, attachment to dangling bonds, diffusion, surface segregation, growth morphology, and pyrolytic reaction pathways will be discussed. {copyright} {ital 1997 American Vacuum Society.}

  5. Multi-level stressor analysis from the DNA/biochemical level to community levels in an urban stream and integrative health response (IHR) assessments.

    PubMed

    Lee, Jae Hoon; Kim, Joon Ha; Oh, Hee-Mock; An, Kwang-Guk

    2013-01-01

    The objectives of this study were to identify multi-level stressors at the DNA/biochemical level to the community level in fish in an urban stream and to develop an integrative health response (IHR) model for ecological health diagnosis. A pristine control site (S (c) ) and an impacted site (S (i) ) were selected from among seven pre-screened sites studied over seven years. Various chemical analyses indicated that nutrient enrichment (Nitrogen, Phosphorus) and organic pollution were significantly greater (t > 8.783, p < 0.01) at the S (i) site compared to the S (c) site. Single-cell gel electrophoresis (comet assays) of DNA-level impairment indicated significantly (t = 5.678, p < 0.01) greater tail intensity, expressed as % tail-DNA, at the S (i) site and genotoxic responses were detected in the downstream reach. Ethoxyresorufin-O-deethylase (EROD) assays, as a physiological bioindicator, were 2.8-fold higher (p < 0.05, NK-test after ANOVA) at the S (i) site. Tissue analysis using a necropsy-based health assessment index (NHAI) showed distinct internal organ disorders in three tissues, i.e., liver, kidney, and gill, at the S (i) site. Population-level analysis using the sentinel species Zacco platypus showed that the regression coefficient (b) was 3.012 for the S (i) site and 2.915 for the S (c) site, indicating population skewness in the downstream reach. Community-level health was impaired at the S (i) site based on an index of biological integrity (IBI), and physical habitat modifications were identified by a qualitative habitat evaluation index (QHEI). Overall, the model values for the integrative health response (IHR), developed using the star plot approach, were 3.22 (80.5%) at the S (c) site and 0.74 (18.5%) at the S (i) site, indicating that, overall, ecological health impairments were evident in the urban reach. Our study was based on multi-level approaches using biological organization and the results suggest that there is a pivotal point of linkage

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

    PubMed Central

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

    2016-01-01

    Background: 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. Materials and Methods: In this study, multivariate analysis approach was performed to the investigation of chemical discrimination of CPA and CPC. Results: 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. Conclusion: 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. SUMMARY 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

  7. Analysis of selected benthic communities in Florida Everglades with reference to their physical and chemical environment

    USGS Publications Warehouse

    Waller, Bradley G.

    1976-01-01

    Species diversity and numbers of benthic macroinvertebrates were determined at 12 sites, both canals and marshes, in the Everglades of south Florida. The values calculated are used to indicate long-term trends in water quality and variations between study areas. Species diversity at all sites was generally in a range indicative of degraded water quality. The number of organisms per square metre of bottom surface was highly variable ranging from 43 to 8,200 organisms. Chemical analysis of water and bottom material indicated no gross contamination from sewage or agricultural runoff in any of the canals where benthic organisms were collected. Other physical factors such as depth, velocity of flow, substrate type, and water-level fluctuation were responsible for the low species diversities and variable numbers of organisms, rather than contamination from urban or agricultural areas.

  8. Inorganic chemical investigation by X-ray fluorescence analysis - The Viking Mars Lander

    NASA Technical Reports Server (NTRS)

    Toulmin, P., III; Rose, H. J., Jr.; Baird, A. K.; Clark, B. C.; Keil, K.

    1973-01-01

    The inorganic chemical investigation experiment added in August 1972 to the Viking Lander scientific package uses an energy-dispersive X-ray fluorescence spectrometer in which four sealed, gas-filled proportional counters detect X-rays emitted from samples of the Martian surface materials irradiated by X-rays from radioisotope sources (Fe-55 and Cd-109). The instrument is inside the Lander body, and samples are to be delivered to it by the Viking Lander Surface Sampler. Instrument design is described along with details of the data processing and analysis procedures. The results of the investigation will characterize the surface materials of Mars as to elemental composition with accuracies ranging from a few tens of parts per million (at the trace-element level) to a few per cent (for major elements) depending on the element in question.

  9. Repair-level analysis for Space Station Freedom

    NASA Technical Reports Server (NTRS)

    Chadwick, M.; Yaniec, J.

    1992-01-01

    To assign repair or discard-at-failure designations for orbital replacement units (ORUs) used on Space Station Freedom Electric Power System (SSFEPS), new algorithms and methods were required. Unique parameters, such as upmass costs, extravehicular activity costs and intravehicular activity (IVA) costs specific to Space Station Freedom's maintenance concept were incorporated into the Repair-Level Analysis (RLA). Additional outputs were also required of the SSFEPS RLA that were not required of previous RLAs. These outputs included recommendations for the number of launches that an ORU should be capable of attaining and an economic basis for condemnation rate. These unique parameters were not addressable using existing RLA models: therefore, a new approach was developed. In addition, it was found that preemptive analysis could be performed using spreadsheet-based Boolean expressions to represent the logical condition of the items under analysis.

  10. Plant seed species identification from chemical fingerprints: a high-throughput application of direct analysis in real time mass spectrometry.

    PubMed

    Lesiak, Ashton D; Cody, Robert B; Dane, A John; Musah, Rabi A

    2015-09-01

    Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed. PMID:26237339

  11. Exploring the Potential for Using Inexpensive Natural Reagents Extracted from Plants to Teach Chemical Analysis

    ERIC Educational Resources Information Center

    Hartwell, Supaporn Kradtap

    2012-01-01

    A number of scientific articles report on the use of natural extracts from plants as chemical reagents, where the main objective is to present the scientific applications of those natural plant extracts. The author suggests that natural reagents extracted from plants can be used as alternative low cost tools in teaching chemical analysis,…

  12. Analysis of solids remaining following chemical cleaning in tank 6F

    SciTech Connect

    Poirier, Michael R.; Fondeur, Fernando F.; Missimer, David M.; Summer, Michael E.; Fink, Samuel D.

    2010-02-05

    Following chemical cleaning, a solid sample was collected and submitted to Savannah River National Laboratory (SRNL) for analysis. SRNL analyzed this sample by X-ray Diffraction (XRD) and scanning electron microscopy (SEM) to determine the composition of the solids remaining in Tank 6F and to assess the effectiveness of the chemical cleaning process.

  13. Comprehensive Mass Analysis for Chemical Processes, a Case Study on L-Dopa Manufacture

    EPA Science Inventory

    To evaluate the “greenness” of chemical processes in route selection and process development, we propose a comprehensive mass analysis to inform the stakeholders from different fields. This is carried out by characterizing the mass intensity for each contributing chemical or wast...

  14. Chemical Analysis of the Moon at the Surveyor VII Landing Site: Preliminary Results.

    PubMed

    Turkevich, A L; Franzgrote, E J; Patterson, J H

    1968-10-01

    The alpha-scattering experiment aboard Surveyor VII has provided a chemical analysis of the moon in the area of the crater Tycho. The preliminary results indicate a chemical composition similar to that already found at two mare sites, but with a lower concentration of elements of the iron group (titanium through copper). PMID:17738182

  15. Meta-analysis of individual- and aggregate-level data.

    PubMed

    Sutton, A J; Kendrick, D; Coupland, C A C

    2008-02-28

    The methodology described here was developed for a systematic review and individual participant-level meta-analysis of home safety education and the provision of safety equipment for the prevention of childhood accidents. This review had a particular emphasis on exploring whether effectiveness was related to socio-demographic characteristics previously shown to be associated with injury risk. Individual participant data were only made available to us for a proportion of the included studies. This resulted in the need for developing a new methodology to combine the available data most efficiently. Our objective was to develop a (random effects) meta-analysis model that could synthesize both individual-level and aggregate-level binary outcome data while exploring the effects of binary covariates also available in a combination of individual participant and aggregate level data. To add further complication, the studies to be combined were a mixture of cluster and individual participant-allocated designs.A Bayesian model using Markov chain Monte Carlo methods to estimate parameters is described which efficiently synthesizes the data by allowing different models to be fitted to the different study design and data format combinations available. Initially we describe a model to estimate mean effects ignoring the influence of the covariates, and then extend it to include a binary covariate. The application of the method is illustrated by application to one outcome from the motivating home safety meta-analysis for illustration. Using the same general approach, it would be possible to develop further 'tailor made' evidence synthesis models to synthesize all available evidence most effectively. PMID:17514698

  16. SECONDARY LOW-LEVEL WASTE GENERATION RATE ANALYSIS

    SciTech Connect

    D. LaRue

    1999-05-10

    The objective of this design analysis is -to update the assessment of estimated annual secondary low-level waste (LLW) generation rates resulting from the repackaging of spent nuclear fuel (SNF) and high-level waste (HLW) for disposal at the Monitored Geologic Repository (MGR). This analysis supports the preparation of documentation necessary for license application (LA) for the MGR. For the purposes of this analysis, secondary LLW is defined, in brief terms, as LLW generated as a direct result of processing SNF/HLW through the receiving and repackaging operations. The current Waste Handling Building (WHB) design is based on the predominant movement of fuel assemblies through the wet handling lines within the WHB. Dry handling lines are also included in the current WHB design to accommodate canistered waste (i.e., SNF and/or HLW packages). Major input changes to this analysis in comparison to previous analyses include: (1) changes in the SNF/HLW arrival schedules; (2) changes to the WHB and the Waste Treatment Building (WTB) dimensions; and (3) changes in operational staff sizes within the WHB and WTB. The rates generated in this analysis can be utilized to define necessary waste processes, waste flow rates, and equipment sizes for the processing of secondary LLW for proper disposal. This analysis is based on the present reference design, i.e., Viability Assessment (VA) design, and present projections on spent fuel delivery and processing. LLW generation rates, for both liquids and solids, are a direct function of square footages in radiological areas, and a direct function of spent fuel throughput. Future changes in the approved reference design or spent fuel throughput will directly impact the LLW generation rates defined in this analysis. Small amounts of wastes other than LLW may be generated on a non-routine basis. These wastes may include transuranic (TRU), hazardous, and mixed wastes. Although the objective of this analysis is to define LLW waste generation

  17. Low levels of chemical anthropogenic pollution may threaten amphibians by impairing predator recognition.

    PubMed

    Polo-Cavia, Nuria; Burraco, Pablo; Gomez-Mestre, Ivan

    2016-03-01

    Recent studies suggest that direct mortality and physiological effects caused by pollutants are major contributing factors to global amphibian decline. However, even sublethal concentrations of pollutants could be harmful if they combined with other factors to cause high mortality in amphibians. Here we show that sublethal concentrations of pollutants can disrupt the ability of amphibian larvae to recognize predators, hence increasing their risk of predation. This effect is indeed much more important since very low amounts of pollutants are ubiquitous, and environmental efforts are mostly directed towards preventing lethal spills. We analyzed the effects of two common contaminants (humic acid and ammonium nitrate) on the ability of tadpoles of the western spadefoot toad (Pelobates cultripes) to recognize chemical cues from a common predator, nymphs of the dragonfly Anax imperator. We compared the swimming activity of tadpoles in the presence and absence of water-borne chemical cues from dragonflies at different concentrations of humic acid and ammonium nitrate. Tadpoles reduced swimming activity in response to predator cues in the absence of pollutants, whereas they remained unresponsive to these cues when either humic acid or ammonium nitrate was added to the water, even at low concentrations. Moreover, changes in tadpole activity associated with the pollutants themselves were non-significant, indicating no toxic effect. Alteration of the natural chemical environment of aquatic systems by pollutants may be an important contributing cause for declines in amphibian populations, even at sublethal concentrations. PMID:26765086

  18. XPS analysis of combustion aerosols for chemical composition, surface chemistry, and carbon chemical state.

    PubMed

    Vander Wal, Randy L; Bryg, Vicky M; Hays, Michael D

    2011-03-15

    Carbonaceous aerosols can vary in elemental content, surface chemistry, and carbon nano-structure. Each of these properties is related to the details of soot formation. Fuel source, combustion process (affecting formation and growth conditions), and postcombustion exhaust where oxidation occurs all contribute to the physical structure and surface chemistry of soot. Traditionally such physical and chemical parameters have been measured separately by various techniques. Presented here is the unified measurement of these characteristics using X-ray photoelectron spectroscopy (XPS). In the present study, XPS is applied to combustion soot collected from a diesel engine (running biodiesel and pump-grade fuels); jet engine; and institutional, plant, and residential oil-fired boilers. Elemental composition is mapped by a survey scan over a broad energy range. Surface chemistry and carbon nanostructure are quantified by deconvolution of high-resolution scans over the C1s region. This combination of parameters forms a distinct matrix of identifiers for the soots from these sources. PMID:21322576

  19. Radiological, physical, and chemical characterization of low-level alpha contaminated wastes stored at the Idaho National Engineering Laboratory

    SciTech Connect

    Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

    1994-03-01

    This document provides radiological, physical, and chemical characterization data for low-level alpha-contaminated radioactive and low-level alpha-contaminated radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program. Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 97 waste streams which represent an estimated total volume of 25,450 m 3 corresponding to a total mass of approximately 12,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats-generated waste forms stored at the INEL are provided to assist in facility design specification.

  20. Reduction and Uncertainty Analysis of Chemical Mechanisms Based on Local and Global Sensitivities

    NASA Astrophysics Data System (ADS)

    Esposito, Gaetano

    Numerical simulations of critical reacting flow phenomena in hypersonic propulsion devices require accurate representation of finite-rate chemical kinetics. The chemical kinetic models available for hydrocarbon fuel combustion are rather large, involving hundreds of species and thousands of reactions. As a consequence, they cannot be used in multi-dimensional computational fluid dynamic calculations in the foreseeable future due to the prohibitive computational cost. In addition to the computational difficulties, it is also known that some fundamental chemical kinetic parameters of detailed models have significant level of uncertainty due to limited experimental data available and to poor understanding of interactions among kinetic parameters. In the present investigation, local and global sensitivity analysis techniques are employed to develop a systematic approach of reducing and analyzing detailed chemical kinetic models. Unlike previous studies in which skeletal model reduction was based on the separate analysis of simple cases, in this work a novel strategy based on Principal Component Analysis of local sensitivity values is presented. This new approach is capable of simultaneously taking into account all the relevant canonical combustion configurations over different composition, temperature and pressure conditions. Moreover, the procedure developed in this work represents the first documented inclusion of non-premixed extinction phenomena, which is of great relevance in hypersonic combustors, in an automated reduction algorithm. The application of the skeletal reduction to a detailed kinetic model consisting of 111 species in 784 reactions is demonstrated. The resulting reduced skeletal model of 37--38 species showed that the global ignition/propagation/extinction phenomena of ethylene-air mixtures can be predicted within an accuracy of 2% of the full detailed model. The problems of both understanding non-linear interactions between kinetic parameters and

  1. Apparatus and method for performing microfluidic manipulations for chemical analysis

    SciTech Connect

    Ramsey, J.M.

    1999-12-14

    A microchip apparatus and method provide fluidic manipulations for a variety of applications, including sample injection for microchip liquid chromatography. The microchip is fabricated using standard photolithographic procedures and chemical wet etching, with the substrate and cover plate joined using direct bonding. Capillary electrophoresis is performed in channels formed in the substrate. Injections are made by electro-osmotically pumping sample through the injection channel that crosses the separation channel, followed by a switching of the potentials to force a plug into the separation channel.

  2. Apparatus and method for performing microfluidic manipulations for chemical analysis

    DOEpatents

    Ramsey, J. Michael

    2002-01-01

    A microchip apparatus and method provide fluidic manipulations for a variety of applications, including sample injection for microchip liquid chromatography. The microchip is fabricated using standard photolitographic procedures and chemical wet etching, with the substrate and cover plate joined using direct bonding. Capillary electrophoresis is performed in channels formed in the substrate. Injections are made by electro-osmotically pumping sample through the injection channel that crosses the separation channel, followed by a switching of the potentials to force a plug into the separation channel.

  3. Apparatus and method for performing microfluidic manipulations for chemical analysis

    DOEpatents

    Ramsey, J. Michael

    1999-01-01

    A microchip apparatus and method provide fluidic manipulations for a variety of applications, including sample injection for microchip liquid chromatography. The microchip is fabricated using standard photolithographic procedures and chemical wet etching, with the substrate and cover plate joined using direct bonding. Capillary electrophoresis is performed in channels formed in the substrate. Injections are made by electro-osmotically pumping sample through the injection channel that crosses the separation channel, followed by a switching of the potentials to force a plug into the separation channel.

  4. Chemical analysis of acoustically levitated drops by Raman spectroscopy.

    PubMed

    Tuckermann, Rudolf; Puskar, Ljiljana; Zavabeti, Mahta; Sekine, Ryo; McNaughton, Don

    2009-07-01

    An experimental apparatus combining Raman spectroscopy with acoustic levitation, Raman acoustic levitation spectroscopy (RALS), is investigated in the field of physical and chemical analytics. Whereas acoustic levitation enables the contactless handling of microsized samples, Raman spectroscopy offers the advantage of a noninvasive method without complex sample preparation. After carrying out some systematic tests to probe the sensitivity of the technique to drop size, shape, and position, RALS has been successfully applied in monitoring sample dilution and preconcentration, evaporation, crystallization, an acid-base reaction, and analytes in a surface-enhanced Raman spectroscopy colloidal suspension. PMID:19418043

  5. A Psychometric Analysis of the Chemical Concepts Inventory

    ERIC Educational Resources Information Center

    Barbera, Jack

    2013-01-01

    designed to assess the alternate conceptions of students in high school or first-semester college chemistry. The instrument was published in 2002 along with an analysis of its data from a test population. This study supports the initial analysis and expands on the psychometric…

  6. X-RAY, MICROSCOPE, AND WET CHEMICAL TECHNIQUES: COMPLEMENTARY TEAM FOR DEPOSIT ANALYSIS

    EPA Science Inventory

    Commonly used techniques for the analysis of potable water scale and corrosion deposits do not provide equivalent information about the chemical nature and significance of the deposits. ptical examination, with unaided eye and with microscopes, provides some useful information. -...

  7. Chemical analysis and sampling techniques for geothermal fluids and gases at the Fenton Hill Laboratory

    SciTech Connect

    Trujillo, P.E.; Counce, D.; Grigsby, C.O.; Goff, F.; Shevenell, L.

    1987-06-01

    A general description of methods, techniques, and apparatus used for the sampling, chemical analysis, and data reporting of geothermal gases and fluids is given. Step-by-step descriptions of the procedures are included in the appendixes.

  8. Laser Applications to Chemical, Security, and Environmental Analysis: introduction to the feature issue

    SciTech Connect

    Dreizler, Andreas; Fried, Alan; Gord, James R

    2007-07-01

    This Applied Optics feature issue on Laser Applications to Chemical, Security,and Environmental Analysis (LACSEA) highlights papers presented at theLACSEA 2006 Tenth Topical Meeting sponsored by the Optical Society ofAmerica.

  9. Airborne photography of chemical releases and analysis of twilight sky brightness data, phases 1 and 2

    NASA Technical Reports Server (NTRS)

    Bedinger, J. F.; Constantinides, E.

    1976-01-01

    The photography from aboard an aircraft of chemical releases is reported. The equipment installation on the aircraft is described, and photographs of the releases are included. An extensive analysis of twilight sky photographs is presented.

  10. Recent Development in Optical Chemical Sensors Coupling with Flow Injection Analysis

    PubMed Central

    Ojeda, Catalina Bosch; Rojas, Fuensanta Sánchez

    2006-01-01

    Optical techniques for chemical analysis are well established and sensors based on these techniques are now attracting considerable attention because of their importance in applications such as environmental monitoring, biomedical sensing, and industrial process control. On the other hand, flow injection analysis (FIA) is advisable for the rapid analysis of microliter volume samples and can be interfaced directly to the chemical process. The FIA has become a widespread automatic analytical method for more reasons; mainly due to the simplicity and low cost of the setups, their versatility, and ease of assembling. In this paper, an overview of flow injection determinations by using optical chemical sensors is provided, and instrumentation, sensor design, and applications are discussed. This work summarizes the most relevant manuscripts from 1980 to date referred to analysis using optical chemical sensors in FIA.

  11. Toxic hazard and chemical analysis of leachates from furfurylated wood.

    PubMed

    Pilgård, Annica; Treu, Andreas; van Zeeland, Albert N T; Gosselink, Richard J A; Westin, Mats

    2010-09-01

    The furfurylation process is an extensively investigated wood modification process. Furfuryl alcohol molecules penetrate into the wood cell wall and polymerize in situ. This results in a permanent swelling of the wood cell walls. It is unclear whether or not chemical bonds exist between the furfuryl alcohol polymer and the wood. In the present study, five different wood species were used, both hardwoods and softwoods. They were treated with three different furfurylation procedures and leached according to three different leaching methods. The present study shows that, in general, the leachates from furfurylated wood have low toxicity. It also shows that the choice of leaching method is decisive for the outcome of the toxicity results. Earlier studies have shown that leachates from wood treated with furfuryl alcohol prepolymers have higher toxicity to Vibrio fischeri than leachates from wood treated with furfuryl alcohol monomers. This is probably attributable to differences in leaching of chemical compounds. The present study shows that this difference in the toxicity most likely cannot be attributed to maleic acid, furan, furfural, furfuryl alcohol, or 2-furoic acid. However, the difference might be caused by the two substances 5-hydroxymethylfurfural and 2,5-furandimethanol. The present study found no difference in the amount of leached furfuryl alcohol between leachates from furfurylated softwood and furfurylated hardwood species. Earlier studies have indicated differences in grafting of furfuryl alcohol to lignin. However, nothing was found in the present study that could support this. The leachates of furfurylated wood still need to be PMID:20821648

  12. Crystal-Chemical Analysis Martian Minerals in Gale Crater

    NASA Technical Reports Server (NTRS)

    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.; Gellert, R.; Achilles, C. N..; Rampe, E. B.; Bristow, T. F.; Crisp, J. A.; Sarrazin, P. C.; Farmer, J. D.; DesMarais, D. J.; Grotzinger, J. P.; Stolper, E. M.; Morookian, J. M.; Wilson, M. A.; Spanovich, N.; Anderson, R. C.

    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.

  13. New crosslinkers for electrospun chitosan fibre mats. I. Chemical analysis

    PubMed Central

    Austero, Marjorie S.; Donius, Amalie E.; Wegst, Ulrike G. K.; Schauer, Caroline L.

    2012-01-01

    Chitosan (CS), the deacetylated form of chitin, the second most abundant, natural polysaccharide, is attractive for applications in the biomedical field because of its biocompatibility and resorption rates, which are higher than chitin. Crosslinking improves chemical and mechanical stability of CS. Here, we report the successful utilization of a new set of crosslinkers for electrospun CS. Genipin, hexamethylene-1,6-diaminocarboxysulphonate (HDACS) and epichlorohydrin (ECH) have not been previously explored for crosslinking of electrospun CS. In this first part of a two-part publication, we report the morphology, determined by field emission scanning electron microscopy (FESEM), and chemical interactions, determined by Fourier transform infrared microscopy, respectively. FESEM revealed that CS could successfully be electrospun from trifluoroacetic acid with genipin, HDACS and ECH added to the solution. Diameters were 267 ± 199 nm, 644 ± 359 nm and 896 ± 435 nm for CS–genipin, CS–HDACS and CS–ECH, respectively. Short- (15 min) and long-term (72 h) dissolution tests (T600) were performed in acidic, neutral and basic pHs (3, 7 and 12). Post-spinning activation by heat and base to enhance crosslinking of CS–HDACS and CS–ECH decreased the fibre diameters and improved the stability. In the second part of this publication, we report the mechanical properties of the fibres. PMID:22628209

  14. THE INTERACTIVE DECISION COMMITTEE FOR CHEMICAL TOXICITY ANALYSIS.

    PubMed

    Kang, Chaeryon; Zhu, Hao; Wright, Fred A; Zou, Fei; Kosorok, Michael R

    2012-01-01

    We introduce the Interactive Decision Committee method for classification when high-dimensional feature variables are grouped into feature categories. The proposed method uses the interactive relationships among feature categories to build base classifiers which are combined using decision committees. A two-stage or a single-stage 5-fold cross-validation technique is utilized to decide the total number of base classifiers to be combined. The proposed procedure is useful for classifying biochemicals on the basis of toxicity activity, where the feature space consists of chemical descriptors and the responses are binary indicators of toxicity activity. Each descriptor belongs to at least one descriptor category. The support vector machine, the random forests, and the tree-based AdaBoost algorithms are utilized as classifier inducers. Forward selection is used to select the best combinations of the base classifiers given the number of base classifiers. Simulation studies demonstrate that the proposed method outperforms a single large, unaggregated classifier in the presence of interactive feature category information. We applied the proposed method to two toxicity data sets associated with chemical compounds. For these data sets, the proposed method improved classification performance for the majority of outcomes compared to a single large, unaggregated classifier. PMID:24415822

  15. Analysis of residual chemicals on filtering facepiece respirators after decontamination.

    PubMed

    Salter, W B; Kinney, K; Wallace, W H; Lumley, A E; Heimbuch, B K; Wander, J D

    2010-08-01

    The N95 filtering facepiece respirator (FFR) is commonly used to protect individuals from infectious aerosols. Health care experts predict a shortage of N95 FFRs if a severe pandemic occurs, and an option that has been suggested for mitigating such an FFR shortage is to decontaminate and reuse the devices. Before the effectiveness of this strategy can be established, many parameters affecting respiratory protection must be measured: biocidal efficacy of the decontamination treatment, filtration performance, pressure drop, fit, and toxicity to the end user post treatment. This research effort measured the amount of residual chemicals created or deposited on six models of FFRs following treatment by each of 7 simple decontamination technologies. Measured amounts of decontaminants retained by the FFRs treated with chemical disinfectants were small enough that exposure to wearers will be below the permissible exposure limit (PEL). Toxic by-products were also evaluated, and two suspected toxins were detected after ethylene oxide treatment of FFR rubber straps. The results provide encouragement to efforts promoting the evolution of effective strategies for decontamination and reuse of FFRs. PMID:20526947

  16. Production and Chemical Analysis of Cometary Ice Tholins

    NASA Astrophysics Data System (ADS)

    McDonald, Gene D.; Whited, Linda J.; DeRuiter, Cynthia; Khare, Bishun N.; Patnaik, Archita; Sagan, Carl

    1996-07-01

    Organic heteropolymers that we call here ice tholin II have been produced by plasma discharge irradiation of water/methanol/carbon dioxide/ethane cocondensed ices in a rough simulation of cometary chemistry. The radiation yield of these organic heteropolymers is approximately 10-26g/eV. Intermediate products including polyalcohols, ethers, esters, carboxylic acids, and hydrocarbons are also produced. No detectable polyoxymethylene is generated in this experiment. Preliminary chemical analyses of ice tholin using spectroscopic and chromatographic techniques lead to the conclusion that ice tholin contains a significant degree of polyalcohol functionality, as well as aliphatic hydrocarbon groups and carbonyl-containing groups such as ketones and esters. Ice tholin II shows some spectroscopic similarities to 1:6 ethane/water ice tholin (ice tholin I), but overall the two are chemically distinct. Ice tholins may be difficult to detect in comets due to their low volatility, but nevertheless may have been delivered to the early Earth by cometary impacts and interplanetary dust particles. These polyalcohol-containing molecules would then have been available to participate in prebiotic chemistry, such as the synthesis of acyclic nucleic acid analogues which have been suggested as the first biomacromolecules

  17. A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

    NASA Technical Reports Server (NTRS)

    Gokoglu, S. A.; Kuczmarski, M. A.

    1993-01-01

    Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

  18. Spatial Analysis of China Province-level Perinatal Mortality

    PubMed Central

    XIANG, Kun; SONG, Deyong

    2016-01-01

    Background: Using spatial analysis tools to determine the spatial patterns of China province-level perinatal mortality and using spatial econometric model to examine the impacts of health care resources and different socio-economic factors on perinatal mortality. Methods: The Global Moran’s I index is used to examine whether the spatial autocorrelation exists in selected regions and Moran’s I scatter plot to examine the spatial clustering among regions. Spatial econometric models are used to investigate the spatial relationships between perinatal mortality and contributing factors. Results: The overall Moran’s I index indicates that perinatal mortality displays positive spatial autocorrelation. Moran’s I scatter plot analysis implies that there is a significant clustering of mortality in both high-rate regions and low-rate regions. The spatial econometric models analyses confirm the existence of a direct link between perinatal mortality and health care resources, socio-economic factors. Conclusions: Since a positive spatial autocorrelation has been detected in China province-level perinatal mortality, the upgrading of regional economic development and medical service level will affect the mortality not only in region itself but also its adjacent regions. PMID:27398334

  19. Automatic generation of skeletal mechanisms for ignition combustion based on level of importance analysis

    SciTech Connect

    Loevaas, Terese

    2009-07-15

    A level of importance (LOI) selection parameter is employed in order to identify species with general low importance to the overall accuracy of a chemical model. This enables elimination of the minor reaction paths in which these species are involved. The generation of such skeletal mechanisms is performed automatically in a pre-processing step ranking species according to their level of importance. This selection criterion is a combined parameter based on a time scale and sensitivity analysis, identifying both short lived species and species with respect to which the observable of interest has low sensitivity. In this work a careful element flux analysis demonstrates that such species do not interact in major reaction paths. Employing the LOI procedure replaces the previous method of identifying redundant species through a two step procedure involving a reaction flow analysis followed by a sensitivity analysis. The flux analysis is performed using DARS {sup copyright}, a digital analysis tool modelling reactive systems. Simplified chemical models are generated based on a detailed ethylene mechanism involving 111 species and 784 reactions (1566 forward and backward reactions) proposed by Wang et al. Eliminating species from detailed mechanisms introduces errors in the predicted combustion parameters. In the present work these errors are systematically studied for a wide range of conditions, including temperature, pressure and mixtures. Results show that the accuracy of simplified models is particularly lowered when the initial temperatures are close to the transition between low- and high-temperature chemistry. A speed-up factor of 5 is observed when using a simplified model containing only 27% of the original species and 19% of the original reactions. (author)

  20. Safety in the Chemical Laboratory: Atmospheric Formaldehyde Levels in an Academic Laboratory.

    ERIC Educational Resources Information Center

    Clausz, John C.; And Others

    1984-01-01

    Determined whether improved ventilation and use of "formaldehyde-free" biological specimens could reduce the levels of formaldehyde in air to which students and faculty would be exposed. Both methods were found to be effective in reducing formaldehyde levels in air. (JN)

  1. 40 CFR 141.11 - Maximum contaminant levels for inorganic chemicals.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... arsenic applies only to community water systems. The analyses and determination of compliance with the 0.05 milligrams per liter maximum contaminant level for arsenic use the requirements of § 141.23. (b) The maximum contaminant level for arsenic is 0.05 milligrams per liter for community water...

  2. 40 CFR 141.11 - Maximum contaminant levels for inorganic chemicals.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... arsenic applies only to community water systems. The analyses and determination of compliance with the 0.05 milligrams per liter maximum contaminant level for arsenic use the requirements of § 141.23. (b) The maximum contaminant level for arsenic is 0.05 milligrams per liter for community water...

  3. 40 CFR 141.11 - Maximum contaminant levels for inorganic chemicals.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... arsenic applies only to community water systems. The analyses and determination of compliance with the 0.05 milligrams per liter maximum contaminant level for arsenic use the requirements of § 141.23. (b) The maximum contaminant level for arsenic is 0.05 milligrams per liter for community water...

  4. Parameterization of the non-local thermodynamic equilibrium source function with chemical production by an equivalent two-level model

    NASA Astrophysics Data System (ADS)

    Zhu, Xun

    2003-07-01

    The classic two-level or equivalent two-level model that includes only the statistical equilibrium of radiative and thermal processes of excitation and quenching between two vibrational energy levels is extended by adding chemical production to the rate equations. The modifications to the non-local thermodynamic equilibrium source function and cooling rate are parameterized by ϕc, which characterizes the ratio of chemical production to collisional quenching. For applications of broadband emission of O3 at 9.6 μm, the non-LTE effect of chemical production on the cooling rate and limb emission is proportional to the ratio of O to O3. For a typical [O]/[O3], the maximum enhancements of limb radiance and cooling rate are about 15% 30% and 0.03 0.05 K day-1, respectively, both occurring near the mesopause regions. This suggests that the broadband limb radiance above ˜80 km is sensitive to O3 density but not sensitive to the direct cooling rate along the line-of-sight, which makes O3 retrieval feasible but the direct cooling rate retrieval difficult by using the O3 9.6 μm band limb emission.

  5. Development of a chemical process using nitric acid-cerium(IV) for decontamination of high-level waste canisters

    SciTech Connect

    Bray, L.A.

    1988-06-01

    A simple and effective method was developed for contamination of high-level waste containers. This method of chemical decontamination is applicable to a wide variety of contaminated equipment found in the nuclear industry. The process employs a oxidant system (Ce(IV)) in nitric acid (HNO/sub 3/) solution to chemically mill a thin layer from the canister surface. Contaminated canisters are simply immersed in the solution at a controlled temperature and Ce(IV) concentration level. The spent solution is discarded to the high-level waste stream and added to subsequent glass batches. The Ce(IV)/HNO/sub 3/ solution has been shown to be effective in chemically milling the surface of stainless steel, similar to the electropolishing process, but without the need for an applied electrical current. West Valley (WV) staff had previously evaluated several canister decontamination methods, including electropolishing, liquid abrasive blast, high-pressure water wash, and ultrasonic cleaning, before the Ce(IV)/HNO/sub 3/ redox solution on treatment was selected. The initial concept involved continuous electrochemical regeneration of the ceric ion. Extensive in-cell pumping and close-coupled heat transfer and electrochemical equipment were required. The objective of this study, was to simplify the original concept. 2 refs., 16 figs., 4 tabs.

  6. Familial aggregation and segregation analysis of eosinophil levels.

    PubMed

    Holberg, C J; Halonen, M; Wright, A L; Martinez, F D

    1999-11-01

    The number of circulating eosinophils is associated with the risk of asthma in population samples. Therefore, eosinophil levels may be an intermediate phenotype for asthma amenable to genetic analysis. We examined familial aggregation of the number of eosinophils x 10(6) L(-1) and the percentage of eosinophils based on a 300 count differential in 644 Hispanic and non-Hispanic white families, with 2, 097 subjects, enrolled in the Tucson Children's Respiratory Study. Both measures were adjusted for age, season and year at the time blood was drawn, sex, and ethnicity. Segregation analysis was conducted in the 458 non-Hispanic white families, as there were no significant familial correlations in the Hispanic families, and there was significant heterogeneity by ethnic group. Familial correlations (rho) in the non-Hispanic white families were as follows: mother-father, 0.05; mother-child, 0.18 (p < 0.001); father-child, 0.07; sibling-sibling, 0.31 (p < 0.001). Without covariates analyses indicated a polygenic/multifactorial mode of inheritance. After adjusting for current and past asthma an oligogenic mode of inheritance was suggested, plus additional residual familial components that were mainly maternally mediated. This study supports the notion of multiple, relatively common genes interacting to determine genetic susceptibility to asthma. Holberg CJ, Halonen M, Wright AL, Martinez FD. Familial aggregation and segregation analysis of eosinophil levels. PMID:10556128

  7. Multi-level approach for parametric roll analysis

    NASA Astrophysics Data System (ADS)

    Kim, Taeyoung; Kim, Yonghwan

    2011-03-01

    The present study considers multi-level approach for the analysis of parametric roll phenomena. Three kinds of computation method, GM variation, impulse response function (IRF), and Rankine panel method, are applied for the multi-level approach. IRF and Rankine panel method are based on the weakly nonlinear formulation which includes nonlinear Froude- Krylov and restoring forces. In the computation result of parametric roll occurrence test in regular waves, IRF and Rankine panel method show similar tendency. Although the GM variation approach predicts the occurrence of parametric roll at twice roll natural frequency, its frequency criteria shows a little difference. Nonlinear roll motion in bichromatic wave is also considered in this study. To prove the unstable roll motion in bichromatic waves, theoretical and numerical approaches are applied. The occurrence of parametric roll is theoretically examined by introducing the quasi-periodic Mathieu equation. Instability criteria are well predicted from stability analysis in theoretical approach. From the Fourier analysis, it has been verified that difference-frequency effects create the unstable roll motion. The occurrence of unstable roll motion in bichromatic wave is also observed in the experiment.

  8. Automatic Analysis for the Chemical Testing of Urine Examination Using Digital Image Processing Techniques

    NASA Astrophysics Data System (ADS)

    Vilardy, Juan M.; Peña, Jose C.; Daza, Miller F.; Torres, Cesar O.; Mattos, Lorenzo

    2008-04-01

    For to make the chemical testing of urine examination a dipstick is used, which contains pads that have incorporated within them the reagents for chemical reactions for the detection of a number from substances in the urine. Urine is added to the pads for reaction by dipping the dipstick into the urine and then slowly withdrawing it. The subsequent colorimetric reactions are timed to an endpoint; the extent of colors formation is directly related to the level of the urine constituent. The colors can be read manually by comparison with color charts or with the use of automated reflectance meters. The aim of the System described in this paper is to analyze and to determine automatically the changes of the colors in the dipstick when this is retired of the urine sample and to compare the results with color charts for the diagnosis of many common diseases such as diabetes. The system consists of: (a) a USB camera. (b) Computer. (c) Software Matlab v7.4. Image analysis begins with a digital capturing of the image as data. Once the image is acquired in digital format, the data can be manipulated through digital image processing. Our objective was to develop a computerised image processing system and an interactive software package for the backing of clinicians, medical research and medical students.

  9. 6 CFR 27.205 - Determination that a chemical facility “presents a high level of security risk.”

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Determination that a chemical facility âpresents a high level of security risk.â 27.205 Section 27.205 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility...

  10. Minimizing Errors in Numerical Analysis of Chemical Data.

    ERIC Educational Resources Information Center

    Rusling, James F.

    1988-01-01

    Investigates minimizing errors in computational methods commonly used in chemistry. Provides a series of examples illustrating the propagation of errors, finite difference methods, and nonlinear regression analysis. Includes illustrations to explain these concepts. (MVL)

  11. Evaluation of alternative chemical additives for high-level waste vitrification feed preparation processing

    SciTech Connect

    Seymour, R.G.

    1995-06-07

    During the development of the feed processing flowsheet for the Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS), research had shown that use of formic acid (HCOOH) could accomplish several processing objectives with one chemical addition. These objectives included the decomposition of tetraphenylborate, chemical reduction of mercury, production of acceptable rheological properties in the feed slurry, and controlling the oxidation state of the glass melt pool. However, the DEPF research had not shown that some vitrification slurry feeds had a tendency to evolve hydrogen (H{sub 2}) and ammonia (NH{sub 3}) as the result of catalytic decomposition of CHOOH with noble metals (rhodium, ruthenium, palladium) in the feed. Testing conducted at Pacific Northwest Laboratory and later at the Savannah River Technical Center showed that the H{sub 2} and NH{sub 3} could evolve at appreciable rates and quantities. The explosive nature of H{sub 2} and NH{sub 3} (as ammonium nitrate) warranted significant mitigation control and redesign of both facilities. At the time the explosive gas evolution was discovered, the DWPF was already under construction and an immediate hardware fix in tandem with flowsheet changes was necessary. However, the Hanford Waste Vitrification Plant (HWVP) was in the design phase and could afford to take time to investigate flowsheet manipulations that could solve the problem, rather than a hardware fix. Thus, the HWVP began to investigate alternatives to using HCOOH in the vitrification process. This document describes the selection, evaluation criteria, and strategy used to evaluate the performance of the alternative chemical additives to CHOOH. The status of the evaluation is also discussed.

  12. Genome-Wide Association Study and Pathway-Level Analysis of Tocochromanol Levels in Maize Grain

    PubMed Central

    Lipka, Alexander E.; Gore, Michael A.; Magallanes-Lundback, Maria; Mesberg, Alex; Lin, Haining; Tiede, Tyler; Chen, Charles; Buell, C. Robin; Buckler, Edward S.; Rocheford, Torbert; DellaPenna, Dean

    2013-01-01

    Tocopherols and tocotrienols, collectively known as tocochromanols, are the major lipid-soluble antioxidants in maize (Zea mays L.) grain. Given that individual tocochromanols differ in their degree of vitamin E activity, variation for tocochromanol composition and content in grain from among diverse maize inbred lines has important nutritional and health implications for enhancing the vitamin E and antioxidant contents of maize-derived foods through plant breeding. Toward this end, we conducted a genome-wide association study of six tocochromanol compounds and 14 of their sums, ratios, and proportions with a 281 maize inbred association panel that was genotyped for 591,822 SNP markers. In addition to providing further insight into the association between ZmVTE4 (γ-tocopherol methyltransferase) haplotypes and α-tocopherol content, we also detected a novel association between ZmVTE1 (tocopherol cyclase) and tocotrienol composition. In a pathway-level analysis, we assessed the genetic contribution of 60 a priori candidate genes encoding the core tocochromanol pathway (VTE genes) and reactions for pathways supplying the isoprenoid tail and aromatic head group of tocochromanols. This analysis identified two additional genes, ZmHGGT1 (homogentisate geranylgeranyltransferase) and one prephenate dehydratase parolog (of four in the genome) that also modestly contribute to tocotrienol variation in the panel. Collectively, our results provide the most favorable ZmVTE4 haplotype and suggest three new gene targets for increasing vitamin E and antioxidant levels through marker-assisted selection. PMID:23733887

  13. Thermo-chemical evolution of magmatic systems at mid-crustal level: the role of chaotic advection

    NASA Astrophysics Data System (ADS)

    Petrelli, Maurizio; El Omari, Kamal; Le Guer, Yves; Perugini, Diego

    2016-04-01

    Unravelling the dynamics occurring during the thermo-chemical evolution of igneous bodies is of crucial importance in both petrology and volcanology. This is particularly true in subduction related systems where large amounts of magma start, and sometimes end, their differentiation histories at mid and lower crust levels. These magmas play a fundamental role in the evolution of both plutonic and volcanic systems but several key questions are still open about their thermal and chemical evolution: 1) what are the dynamics governing the development of these magmatic systems, 2) what are the timescales of cooling, crystallization and chemical differentiation; 4) how these systems contribute to the evolution of shallower magmatic systems? Recent woks shed light on the mechanisms acting during the growing of new magmatic bodies and it is now accepted that large crustal igneous bodies result from the accretion and/or amalgamation of smaller ones. What is lacking now is how fluid dynamics of magma bodies can influence the evolution of these igneous systems. In this contribution we focus on the thermo-chemical evolution of a subduction related magmatic system at pressure conditions corresponding to mid-crustal levels (0.7 GPa, 20-25 km). In order to develop a robust model and address the Non-Newtonian behavior of crystal bearing magmas, we link the numerical formulation of the problem to experimental results and rheological modeling. We define quantitatively the thermo-chemical evolution of the system and address the timing required to reach the maximum packing fraction. We will show that the development of chaotic dynamics significantly speed up the crystallization process decreasing the time needed to reach the maximum packing fraction. Our results have important implications for both the rheological history of the magmatic body and the refilling of shallower magmatic systems.

  14. Low-Level Waste Disposal Alternatives Analysis Report

    SciTech Connect

    Timothy Carlson; Kay Adler-Flitton; Roy Grant; Joan Connolly; Peggy Hinman; Charles Marcinkiewicz

    2006-09-01

    This report identifies and compares on-site and off-site disposal options for the disposal of contract-handled and remote-handled low-level waste generated by the Idaho National Laboratory and its tenants. Potential disposal options are screened for viability by waste type resulting in a short list of options for further consideration. The most crediable option are selected after systematic consideration of cost, schedule constraints, and risk. In order to holistically address the approach for low-level waste disposal, options are compiled into comprehensive disposal schemes, that is, alternative scenarios. Each alternative scenario addresses the disposal path for all low-level waste types over the period of interest. The alternative scenarios are compared and ranked using cost, risk and complexity to arrive at the recommended approach. Schedule alignment with disposal needs is addressed to ensure that all waste types are managed appropriately. The recommended alternative scenario for the disposal of low-level waste based on this analysis is to build a disposal facility at the Idaho National Laboratory Site.

  15. Analysis of electrolyte level change in a lithium air battery

    NASA Astrophysics Data System (ADS)

    Huang, Jing; Faghri, Amir

    2016-03-01

    A two-dimensional physical model that employs the deformed mesh method to track the electrolyte level in a Li-air coin cell battery is presented and used to investigate the effects of electrolyte level drop during cell discharge. The electrolyte level drop is caused by solid phase volume decrease and electrolyte solvent evaporation. Simulation results show that by neglecting the drop in electrolyte level, a Li-air battery model would under-estimate cell discharge capacity by as much as 22.5% in the parameter range studied. This counter-intuitive result is explained by an in-depth analysis of simulation results. A more realistic prediction of Li2O2 deposit distribution is obtained, with the peak value of Li2O2 volume fraction in the middle of the cathode instead of on the top surface, as predicted by previous studies. The interaction between the battery and its surroundings is considered by incorporating the air chamber into the computation domain. The diffusion of solvent vapor and oxygen in this chamber is included. For batteries using volatile solvents such as DMF, increasing the air chamber radius from 5 cm to 15 cm would result in a 72% increase of discharge capacity at the cost of losing a large amount of electrolyte.

  16. Laser applications to chemical analysis: an introduction by the feature editors

    NASA Astrophysics Data System (ADS)

    Jeffries, Jay B.; Ramsey, J. Michael; Lucht, Robert P.

    1995-06-01

    This issue of Applied Optics features papers on the application of laser technology to chemical analysis. Many of the contributions, although not all, result from papers presented at the Fourth OSA Topical Meeting on Laser Applications to Chemical Analysis, which was held at Jackson Hole, Wyoming, March, 1994. This successful meeting, with nearly one hundred participants, continued the tradition of earlier LACA meetings to focus on the optical science of laser-based measurements of temperature and trace chemical assays in a wide variety of practical applications.

  17. Synthesis, spectral and chemical reactivity analysis of 2,4-dinitrophenyl hydrazone having pyrrole moiety

    NASA Astrophysics Data System (ADS)

    Rawat, Poonam; Singh, R. N.

    2015-10-01

    In this paper we present combined experimental and theoretical study on a newly synthesized ethyl 2-cyano-3-[5-(2,4-dinitrophenyl)-hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate (ECDHPA). Quantum chemical calculations have been performed using HF/6-31G(d,p), B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) levels. The results obtained from quantum chemical calculations matches well with the experimental finding. Molecular electrostatic potential (MEP) surface of N17sbnd H39⋯O42dbnd N37 zone show green color having moderate electrostatic potential indicating hydrogen bonding. For the interactions N17sbnd H34⋯O42 electron density and its Laplacian (∇2ρBCP) are in the range 0.051-0.119 a.u., indicating interaction follows the Koch and Popelier criteria. The observed Nsbnd H (νN17sbnd H34) stretch of sbnd CHdbnd Nsbnd NH sbnd part of molecule at 3262 cm-1 indicate the red shift and the involvement in hydrogen bonding. Natural bond orbital (NBO) investigation shows various intramolecular interactions within molecule. Electrophilic charge transfer (ECT) has been calculated to investigate the relative electrophilic or nucleophilic behavior of reactant molecules involved in chemical reaction. The first hyperpolarizability (β0) value of ECDHPA is calculated as 22.42 × 10-30 esu. The solvent-induced effects on the non-linear optical properties (NLO) were studied using self-consistent reaction field (SCRF) method and observed that the β0 value increases as solvent polarity increases. DFT based electronic descriptors analysis reveals that studied molecule is a strong electrophile and it would undergo to form various heterocyclic compounds.

  18. Chemical analysis of electron beam curing of positive photoresist

    NASA Astrophysics Data System (ADS)

    Ross, Matthew F.; Christensen, Lorna D.; Magvas, John

    1994-05-01

    In this paper the chemical and thermal properties of electron beam cured photoresist were investigated and compared with conventional thermal curing methods. The photoresist used in this investigation was AZ P.4620, a positive novolak based photoresist formulated for thick film applications. The films were exposed with varying dosages using an electron beam photoresist curing system. The photoresist films were then analyzed for residual solvent content, photoactive compound decomposition, percentage of crosslinking, and film shrinkage as a function of exposure dose. These properties were then compared with the properties of resist films cured using conventional thermal curing methods. A model of photoresist curing chemistry as a function of dose is proposed as well as a method for optimizing the cure of the photoresist for different applications.

  19. Chemical analysis of surgical smoke by infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Gianella, Michele; Sigrist, Markus W.

    2012-11-01

    The chemical composition of surgical smoke, a gaseous by-product of some surgical devices—lasers, drills, vessel sealing devices—is of great interest due to the many toxic components that have been found to date. For the first time, surgical smoke samples collected during routine keyhole surgery were analyzed with infrared laser spectroscopy. Traces (ppm range) of methane, ethane, ethylene, carbon monoxide and sevoflurane were detected in the samples which consisted mostly of carbon dioxide and water vapor. Except for the anaesthetic sevoflurane, none of the compounds were present at dangerous concentrations. Negative effects on the health of operation room personnel can be excluded for many toxic compounds found in earlier studies, since their concentrations are below recommended exposure limits.

  20. Improving uncertainty analysis in European Union risk assessment of chemicals.

    PubMed

    Verdonck, Frederik A M; Souren, Astrid; van Asselt, Marjolein B A; Van Sprang, Patrick A; Vanrolleghem, Peter A

    2007-07-01

    Handling uncertainty in curren European Union (EU) risk assessment of new and existing substances is problematic for several reasons. The known or quantifiable sources of uncertainty are mainly considered. Uncertainty is insufficiently, explicitly communicated to risk managers and decision makers but hidden and concealed in risk quotient numbers that appear to be certain and, therefore, create a false sense of certainty and protectiveness. The new EU chemical policy legislation, REACH, is an opportunity to learn from interdisciplinary thinking in order to evolve to smart risk assessment: an assessment in which awareness and openness to uncertainty is used to produce better characterizations and evaluations of risks. In a smart risk assessment context, quantifying uncertainty is not an aim but just a productive means to refine the assessment or to find alternative solutions for the problem at stake. Guidance and examples are given on how to differentiate, assess, and use uncertainty. PMID:17695106

  1. Simultaneous Measurement of Serum Chemical Castration Agents and Testosterone Levels Using Ultra-Performance Liquid Chromatography-Tandem Mass Spectrometry.

    PubMed

    Ko, Dae-Hyun; Lee, Kyunghoon; Jeon, Sun-Hee; Song, Sang Hoon; Yun, Yeo-Min; Chun, Sail; Kim, Hee Seung; Kim, Jin Young; In, Moon Kyo; Song, Junghan

    2016-05-01

    Chemical castration involves administration of drugs to prevent pathological sexual behavior, reduce abnormal sexual drive and treat hormone-dependent cancers. Various drugs have been used for chemical castration; however, substantial interindividual variability and side effects are often observed. In this study, we proposed a useful monitoring method for the application of chemical castration agents using ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS-MS). Testosterone, cyproterone acetate, medroxyprogesterone, goserelin acetate, leuprolide acetate and triptorelin acetate were analyzed by UPLC-MS-MS. The target drugs were extracted from serum samples by double protein precipitation using methanol. Testosterone-1,2-d2 and buserelin acetate were used as internal standards. Parameters of analytical performance were evaluated, including imprecision, linearity, ion suppression and detection capabilities. Testosterone measurements were compared with the results of immunoassays. Serum specimens from 51 subjects who underwent chemical castration were analyzed. All drugs and testosterone were well extracted and separated using our method. The method was essentially free from potential interferences and ion suppression. Within-run and between-run imprecision values were <15%. The lower limits of quantification were 0.125 and 0.5-1.0 ng/mL for testosterone and other drugs, respectively. Good correlations with pre-existing immunoassays for testosterone measurement were observed. Sera from subjects who underwent androgen deprivation therapy showed variable levels of drugs. We successfully developed a UPLC-MS-MS-based monitoring method for chemical castration. The performance of our method was generally acceptable. This method may provide a novel monitoring strategy for chemical castration to enhance expected effects while reducing unwanted side effects. PMID:26989223

  2. Biochemical and molecular changes at the cellular level in response to exposure to environmental estrogen-like chemicals

    SciTech Connect

    Roy, D.; Palangat, M.; Chen, Chiao-Wen

    1997-01-01

    Estrogen-like chemical are unique because the estrogenic property of these compounds allows them to act like sex hormones. Whether weak or strong, the estrogenic response of a chemical, if not overcome, will add extra estrogenic burden to the system. At elevated doses, natural estrogens and environmental estrogen-like chemicals are known to produce adverse effects. The source of extra or elevated concentration of estrogen could be either endogenous or exogenous. The potential of exposure for humans and animals to environmental estrogen-like chemicals is high. Only a limited number of estrogen-like compounds, such as diethylstibestrol (DES), bisphenol A, nonylphenol, polychlorinated biphenyls (PCBs), and dichlorodiphenyltrichloroethane (DDT), have been used to assess the biochemical and molecular changes at the cellular level. This article is focused mainly on DES-related observations. In addition to estrogenic effects, environmental estrogen-like chemical produce multiple and multitype genetic and/or nongenetic hits. Exposure of Syrian hamsters to stilbene estrogen (DES) produces several changes in the nuclei of target organ for carcinogenesis (kidney). Exposure of Noble rats to DES also produces several changes in the mammary gland. Some other estrogenic compounds may also follow a similar pattern of effects to DES, because these compounds alter cell cycle kinetics, produce telomeric associations, and produce chromosomal aberrations. It should be noted that a particular or multitype hit(s) will depend upon the nature of the environmental estrogen-like chemical. The role of individual attack leading to a particular change is not clear at this stage. Consequences of these multitypes of attack on the nuclei of cells could be (1) nuclear toxicity/cell death; (2) repair of all the hits and then acting as normal cells; or (3) sustaining most of the hits and acting as unstable cells. 180 refs., 4 figs., 1 tab.

  3. Correlation analysis between ionospheric scintillation levels and receiver tracking performance

    NASA Astrophysics Data System (ADS)

    Sreeja, V.; Aquino, M.; Elmas, Z. G.; Forte, B.

    2012-06-01

    Rapid fluctuations in the amplitude and phase of a transionospheric radio signal caused by small scale plasma density irregularities in the ionosphere are known as scintillation. Scintillation can seriously impair a GNSS (Global Navigation Satellite Systems) receiver tracking performance, thus affecting the required levels of availability, accuracy and integrity, and consequently the reliability of modern day GNSS based applications. This paper presents an analysis of correlation between scintillation levels and tracking performance of a GNSS receiver for GPS L1C/A, L2C and GLONASS L1, L2 signals. The analyses make use of data recorded over Presidente Prudente (22.1°S, 51.4°W, dip latitude ˜12.3°S) in Brazil, a location close to the Equatorial Ionisation Anomaly (EIA) crest in Latin America. The study presents for the first time this type of correlation analysis for GPS L2C and GLONASS L1, L2 signals. The scintillation levels are defined by the amplitude scintillation index, S4 and the receiver tracking performance is evaluated by the phase tracking jitter. Both S4 and the phase tracking jitter are estimated from the post correlation In-Phase (I) and Quadra-Phase (Q) components logged by the receiver at a high rate. Results reveal that the dependence of the phase tracking jitter on the scintillation levels can be represented by a quadratic fit for the signals. The results presented in this paper are of importance to GNSS users, especially in view of the forthcoming high phase of solar cycle 24 (predicted for 2013).

  4. Adjusting game difficulty level through Formal Concept Analysis

    NASA Astrophysics Data System (ADS)

    Gómez-Martín, Marco A.; Gómez-Martín, Pedro P.; Gonzâlez-Calero, Pedro A.; Díaz-Agudo, Belén

    In order to reach as many players as possible, videogames usually allow the user to choose the difficulty level. To do it, game designers have to decide the values that some game parameters will have depending on that decision. In simple videogames this is almost trivial: minesweeper is harder with longer board sizes and number of mines. In more complex games, game designers may take advantage of data mining to establish which of all the possible parameters will affect positively to the player experience. This paper describes the use of Formal Concept Analysis to help to balance the game using the logs obtained in the tests made prior the release of the game.

  5. Comparative Analysis of Mutant Tyrosine Kinase Chemical Rescue†

    PubMed Central

    Muratore, Kathryn E.; Seeliger, Markus A.; Wang, Zhihong; Fomina, Dina; Neiswinger, Johnathan; Havranek, James J.; Baker, David; Kuriyan, John; Cole, Philip A.

    2009-01-01

    Protein tyrosine kinases are critical cell signaling enzymes. These enzymes have a highly conserved Arg residue in their catalytic loop which is present two residues or four residues downstream from an absolutely conserved Asp catalytic base. Prior studies on protein tyrosine kinases Csk and Src revealed the potential for chemical rescue of catalytically-deficient mutant kinases (Arg to Ala mutations) by small diamino compounds, particularly imidazole, however the potency and efficiency of rescue was greater for Src. This current study further examines the structural and kinetic basis of rescue for mutant Src as compared to mutant Abl tyrosine kinase. An X-ray crystal structure of R388A Src revealed the surprising finding that a histidine residue of the N-terminus of a symmetry-related kinase inserts into the active site of the adjacent Src and mimics the hydrogen bonding pattern seen in wild-type protein tyrosine kinases. Abl R367A shows potent and efficient rescue more comparable to Src, even though its catalytic loop is more like that of Csk. Various enzyme redesigns of the active sites indicate that the degree and specificity of rescue is somewhat flexible, but the overall properties of the enzymes and rescue agents play an overarching role. The newly discovered rescue agent 2-aminoimidazole is about as efficient as imidazole in rescuing R/A Src and Abl. Rate vs. pH studies with these imidazole analogs suggest that the protonated imidazolium is the preferred form for chemical rescue, consistent with structural models. The efficient rescue seen with mutant Abl points to the potential of this approach to be used effectively to analyze Abl phosphorylation pathways in cells. PMID:19260709

  6. Chemical pathway analysis of the Martian atmosphere: CO2-formation pathways

    NASA Astrophysics Data System (ADS)

    Stock, Joachim W.; Boxe, Christopher S.; Lehmann, Ralph; Grenfell, J. Lee; Patzer, A. Beate C.; Rauer, Heike; Yung, Yuk L.

    2012-05-01

    The chemical composition of a planetary atmosphere plays an important role for atmospheric structure, stability, and evolution. Potentially complex interactions between chemical species do not often allow for an easy understanding of the underlying chemical mechanisms governing the atmospheric composition. In particular, trace species can affect the abundance of major species by acting in catalytic cycles. On Mars, such cycles even control the abundance of its main atmospheric constituent CO2. The identification of catalytic cycles (or more generally chemical pathways) by hand is quite demanding. Hence, the application of computer algorithms is beneficial in order to analyze complex chemical reaction networks. Here, we have performed the first automated quantified chemical pathways analysis of the Martian atmosphere with respect to CO2-production in a given reaction system. For this, we applied the Pathway Analysis Program (PAP) to output data from the Caltech/JPL photochemical Mars model. All dominant chemical pathways directly related to the global CO2-production have been quantified as a function of height up to 86 km. We quantitatively show that CO2-production is dominated by chemical pathways involving HOx and Ox. In addition, we find that NOx in combination with HOx and Ox exhibits a non-negligible contribution to CO2-production, especially in Mars' lower atmosphere. This study reveals that only a small number of chemical pathways contribute significantly to the atmospheric abundance of CO2 on Mars; their contributions to CO2-production vary considerably with altitude. This analysis also endorses the importance of transport processes in governing CO2-stability in the Martian atmosphere. Lastly, we identify a previously unknown chemical pathway involving HOx, Ox, and HO2-photodissociation, contributing 8% towards global CO2-production by chemical pathways using recommended up-to-date values for reaction rate coefficients.

  7. Convective Weather Forecast Accuracy Analysis at Center and Sector Levels

    NASA Technical Reports Server (NTRS)

    Wang, Yao; Sridhar, Banavar

    2010-01-01

    This paper presents a detailed convective forecast accuracy analysis at center and sector levels. The study is aimed to provide more meaningful forecast verification measures to aviation community, as well as to obtain useful information leading to the improvements in the weather translation capacity models. In general, the vast majority of forecast verification efforts over past decades have been on the calculation of traditional standard verification measure scores over forecast and observation data analyses onto grids. These verification measures based on the binary classification have been applied in quality assurance of weather forecast products at the national level for many years. Our research focuses on the forecast at the center and sector levels. We calculate the standard forecast verification measure scores for en-route air traffic centers and sectors first, followed by conducting the forecast validation analysis and related verification measures for weather intensities and locations at centers and sectors levels. An approach to improve the prediction of sector weather coverage by multiple sector forecasts is then developed. The weather severe intensity assessment was carried out by using the correlations between forecast and actual weather observation airspace coverage. The weather forecast accuracy on horizontal location was assessed by examining the forecast errors. The improvement in prediction of weather coverage was determined by the correlation between actual sector weather coverage and prediction. observed and forecasted Convective Weather Avoidance Model (CWAM) data collected from June to September in 2007. CWAM zero-minute forecast data with aircraft avoidance probability of 60% and 80% are used as the actual weather observation. All forecast measurements are based on 30-minute, 60- minute, 90-minute, and 120-minute forecasts with the same avoidance probabilities. The forecast accuracy analysis for times under one-hour showed that the errors in

  8. APPROACH TO LEVEL 2 ANALYSIS BASED ON LEVEL 1 RESULTS, MEG CATEGORIES AND COMPOUNDS, AND DECISION CRITERIA

    EPA Science Inventory

    The report describes an approach to the decision criteria needed to proceed from the initial emission screening analysis (Level 1) to the detailed emission characterization (Level 2), and a Level 2 analytical approach. The decision criteria, considering only the available Level 1...

  9. Individual fluctuations in toxin levels affect breeding site fidelity in a chemically defended amphibian.

    PubMed

    Bucciarelli, Gary M; Green, David B; Shaffer, H Bradley; Kats, Lee B

    2016-05-25

    Behaviours that influence habitat selection strongly determine species movement patterns. One component of animal behaviour that largely influences movement patterns and habitat choice is site fidelity. California newts (family Salamandridae) demonstrate remarkable site fidelity, typically homing to the same pool of a stream each breeding season. Individuals often occupy a specific pool throughout the breeding season, but some males shift among breeding pools, altering their set of potential mates, competitors, and predators. In this study, we measured dermal concentrations of the chemical defence compound tetrodotoxin (TTX) in recaptured male California newts (Taricha torosa) over five breeding seasons to evaluate whether relative TTX concentrations are associated with breeding site fidelity in the field. Our five years of field sampling indicates that TTX concentrations of individuals and group means fluctuate tremendously, implying that TTX is not a stable phenotypic trait. Despite such fluctuations, we found that an individual's relative TTX concentration explains fidelity to a breeding pool and suggests that newts may be able to assess both their own concentrations of TTX and that of conspecifics to make decisions about remaining in or abandoning a breeding pool. These results provide us a novel dimension to chemical defence phenotypes in nature and their ecological consequences, potentially requiring a re-evaluation of the coevolutionary dynamics of predation pressure on toxin-laden organisms. PMID:27194704

  10. Meta-analysis of aquatic chronic chemical toxicity data

    EPA Science Inventory

    Chronic toxicity data from the open literature and from tests submitted for pesticide registration were extracted and assembled into a database, AquaChronTox, with a flexible search interface. Data were captured at a treatment and, when available, replicate level to support conc...

  11. Identification and quantitative analysis of chemical compounds based on multiscale linear fitting of terahertz spectra

    NASA Astrophysics Data System (ADS)

    Qiao, Lingbo; Wang, Yingxin; Zhao, Ziran; Chen, Zhiqiang

    2014-07-01

    Terahertz (THz) time-domain spectroscopy is considered as an attractive tool for the analysis of chemical composition. The traditional methods for identification and quantitative analysis of chemical compounds by THz spectroscopy are all based on full-spectrum data. However, intrinsic features of the THz spectrum only lie in absorption peaks due to existence of disturbances, such as unexpected components, scattering effects, and barrier materials. We propose a strategy that utilizes Lorentzian parameters of THz absorption peaks, extracted by a multiscale linear fitting method, for both identification of pure chemicals and quantitative analysis of mixtures. The multiscale linear fitting method can automatically remove background content and accurately determine Lorentzian parameters of the absorption peaks. The high recognition rate for 16 pure chemical compounds and the accurate predicted concentrations for theophylline-lactose mixtures demonstrate the practicability of our approach.

  12. Annual report, spring 2015. Alternative chemical cleaning methods for high level waste tanks-corrosion test results

    SciTech Connect

    Wyrwas, R. B.

    2015-07-06

    The testing presented in this report is in support of the investigation of the Alternative Chemical Cleaning program to aid in developing strategies and technologies to chemically clean radioactive High Level Waste tanks prior to tank closure. The data and conclusions presented here were the examination of the corrosion rates of A285 carbon steel and 304L stainless steel when interacted with the chemical cleaning solution composed of 0.18 M nitric acid and 0.5 wt. % oxalic acid. This solution has been proposed as a dissolution solution that would be used to remove the remaining hard heel portion of the sludge in the waste tanks. This solution was combined with the HM and PUREX simulated sludge with dilution ratios that represent the bulk oxalic cleaning process (20:1 ratio, acid solution to simulant) and the cumulative volume associated with multiple acid strikes (50:1 ratio). The testing was conducted over 28 days at 50°C and deployed two methods to invest the corrosion conditions; passive weight loss coupon and an active electrochemical probe were used to collect data on the corrosion rate and material performance. In addition to investigating the chemical cleaning solutions, electrochemical corrosion testing was performed on acidic and basic solutions containing sodium permanganate at room temperature to explore the corrosion impacts if these solutions were to be implemented to retrieve remaining actinides that are currently in the sludge of the tank.

  13. Amplified interactive toxicity of chemicals at nontoxic levels: Mechanistic considerations and implications to public health

    SciTech Connect

    Mehendale, H.M.

    1994-11-01

    It is widely recognized that exposure to combinations or mixtures of chemicals may result in highly exaggerated toxicity even though the individual chemicals might not be toxic. Assessment of risk from exposure to combinations of chemicals requires the knowledge of the underlying mechanism(s). Dietary exposure to a nontoxic dose of chlordecone (CD; 10 ppm, 15 days) results in a 67-fold increase in lethality of an ordinarily inconsequential dose of CCl{sub 4} (100 {mu}l/kg, ip). Toxicity of closely related CHCl{sub 3} and BrCCl{sub 3} is also enhanced. Phenobarbital (PB, 225 ppm, 15 days) and mirex (10 ppm, 15 days) do not share the propensity of CD in this regard. Exposure to PB + CCl{sub 4} results in enhanced liver injury similar to that observed with CD, but the animals recover and survive in contrast to the greatly amplified lethality of CD + CCl{sub 4}. Investigations have revealed that neither enhanced bioactivation of CCl{sub 4} nor increased lipid peroxidation offers a satisfactory explanation of these findings. Additional studies indicate that exposure to a low dose of CCl{sub 4} (100 {mu}l/kg, ip) results in limited jury, which is accompanied by a biphasic response of hepatocellular regeneration (6 and 36 hr) and tissue repair, which enables the animals to recover from injury. Exposure to CD + CCl{sub 4} results in suppressed tissue repair owing to an energy deficit in hepatocytes as a consequence of excessive intracellular influx of Ca{sup 2+} leading initially to a precipitous decline in glycogen and ultimately to hypoglycemia. Supplementation of cellular energy results in restoration of the tissue repair and complete recovery from the toxicity of CD + CCl{sub 4} combination. In contrast, only the early-phase hepatic tissue repair (6 hr) is affected in PB + CCl{sub 4} treatment, but this is compensated for by a greater stimulation of tissue repair at 24 and 48 hr resulting in recovery from liver and animal survival. 85 refs., 7 figs., 7 tabs.

  14. Development and application of acute exposure guideline levels (AEGLs) for chemical warfare nerve and sulfur mustard agents.

    PubMed

    Watson, Annetta; Opresko, Dennis; Young, Robert; Hauschild, Veronique

    2006-01-01

    Acute exposure guideline levels (AEGLs) have been developed for the chemical warfare agents GB, GA, GD, GF, VX, and sulfur mustard. These AEGLs were approved by the National Advisory Committee for Acute Exposure Guideline Levels for Hazardous Substances after Federal Register publication and comment, and judged as scientifically valid by the National Research Council Committee on Toxicology Subcommittee on AEGLs. AEGLs represent general public exposure limits for durations ranging from 10 min to 8 h, and for three levels of severity (AEGL-1, AEGL-2, AEGL-3). Mild effects are possible at concentrations greater than AEGL-1, while life-threatening effects are expected at concentrations greater than AEGL-3. AEGLs can be applied to various civilian and national defense purposes, including evacuation and shelter-in-place protocols, reentry levels, protective clothing specifications, and analytical monitoring requirements. This report documents development and derivation of AEGL values for six key chemical warfare agents, and makes recommendations for their application to various potential exposure scenarios. PMID:16621779

  15. Development and Application of Acute Exposure Guideline Levels (AEGLs) for Chemical Warfare Nerve and Sulfur Mustard Agents.

    SciTech Connect

    Watson, Annetta Paule; Opresko, Dennis M; Young, Robert A; Hauschild, Veronique

    2006-01-01

    Acute exposure guideline levels (AEGLs) have been developed for the chemical warfare agents GB, GA, GD, GF, VX, and sulfur mustard. These AEGLs were approved by the National Advisory Committee for Acute Exposure Guideline Levels for Hazardous Substances after Federal Register publication and comment, and judged as scientifically valid by the National Research Council Committee on Toxicology Subcommittee on AEGLs. AEGLs represent general public exposure limits for durations ranging from 10 min to 8 h, and for three levels of severity (AEGL-1, AEGL-2, AEGL-3). Mild effects are possible at concentrations greater than AEGL-1, while life-threatening effects are expected at concentrations greater than AEGL-3. AEGLs can be applied to various civilian and national defense purposes, including evacuation and shelter-in-place protocols, reentry levels, protective clothing specifications, and analytical monitoring requirements. This report documents development and derivation of AEGL values for six key chemical warfare agents, and makes recommendations for their application to various potential exposure scenarios.

  16. CHEMICAL ANALYSIS OF WET SCRUBBERS UTILIZING ION CHROMATOGRAPHY

    EPA Science Inventory

    The report describes the key elements required to develop a sampling and analysis program for a wet scrubber using ion chromatography as the main analytical technique. The first part of the report describes a sampling program for two different types of wet scrubbers: the venturi/...

  17. Rapid Screening of Complex Chemical Samples via Capillary Array Analysis

    SciTech Connect

    D. S. Anex; D. W. Neyer

    1998-11-01

    This report is a summary of the results of a two-year Laboratory-Directed Research and Development (LDRD) project that developed instrumentation and methods for capillary array analysis. During the course of this project, a new capillary array electrochromatography instrument was developed to perform eight simultaneous separations and provide complementary chromatographic information from each column on a single sample.

  18. Synthesis and analysis in studies of chemical evolution

    NASA Technical Reports Server (NTRS)

    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.

  19. RAPID ON-SITE METHODS OF CHEMICAL ANALYSIS

    EPA Science Inventory

    The analysis of potentially hazardous air, water and soil samples collected and shipped to service laboratories off-site is time consuming and expensive. This Chapter addresses the practical alternative of performing the requisite analytical services on-site. The most significant...

  20. Chemically bonded phosphate ceramics for low-level mixed waste stabilization

    SciTech Connect

    Singh, D.; Wagh, A.S.; Cunnane, J.C.; Mayberry, J.L.

    1994-12-31

    Novel chemically bonded phosphate ceramics (CBPCs) are being developed and fabricated for low-temperature stabilization and solidification of mixed waste streams which are amenable to conventional high-temperature stabilization processes due to presence of volatiles such as heavy metal chloride and fluorides and/or pyrophorics in the wastes. Phosphates of Mg, Mg-Na and Zr are being developed as candidate matrix materials. In this paper, we present the fabrication procedures of phosphate waste forms using surrogates compositions of three typical mixed wastes streams -- ash, cement sludges, and salts. The performance of the final waste forms such as compression strength, leachability of the contaminants, durability in aqueous environment were conducted. In addition, parameteric studies have been conducted to establish the optimal waste loading in a particular binder system. Based on the results, we present potential applications in the treatment of various mixed waste streams.

  1. Resolving discrepancies between hydraulic and chemical calibration data for seawater intrusion groundwater flow models by considering climate-driven sea level change.

    SciTech Connect

    J. Chapman; A. Hassan; K. Pohlmann

    2001-10-18

    Groundwater models of seawater intrusion environments can be calibrated using both hydraulic and chemical information. The possible impact of the long-term transient process of sea level change is difficult to identify, but important to accurate simulation of present conditions. The response times of the pressure and chemical fields to major fluctuations in sea level change are investigated

  2. Electrophysiological analysis of the nasal chemical senses in garter snakes.

    PubMed

    Inouchi, J; Wang, D; Jiang, X C; Kubie, J; Halpern, M

    1993-01-01

    Electroolfactogram and electrovomeronasogram recordings were made from garter snakes stimulated with vapor of amyl acetate, butanol and of earthworm wash. The olfactory epithelium was more sensitive than the vomeronasal epithelium to all three stimuli. Volatiles from prey washes were capable of stimulating the olfactory epithelium when delivered as airstreams. The vomeronasal epithelium was sensitive only to the air delivery of vapor of amyl acetate. Single unit recordings from the mitral cell layer of the accessory olfactory bulb of garter snakes were made in response to liquid delivery of a variety of chemical stimuli including classical odorants, amino acids and proteins derived from prey. All three classes of stimuli altered unit firing in the accessory olfactory bulb. Amyl acetate, earthworm wash, goldfish wash and non-volatile amino acids delivered as liquid stimuli to the vomeronasal epithelium produced responses in the accessory olfactory bulb that were more distinct and reliable than the electrovomeronasogram responses to airborne odorants recorded at the periphery. Both excitatory and inhibitory responses were observed in the accessory olfactory bulb of garter snakes. The direction of the response to a given stimulus differed for different neurons. Responses were frequently biphasic and could last longer than 50 seconds. Individual neurons responded to different classes of stimuli suggesting that they are broadly tuned. PMID:8386586

  3. Application of Key Events Analysis to Chemical Carcinogens and Noncarcinogens

    PubMed Central

    BOOBIS, ALAN R.; DASTON, GEORGE P.; PRESTON, R. JULIAN; OLIN, STEPHEN S.

    2009-01-01

    The existence of thresholds for toxicants is a matter of debate in chemical risk assessment and regulation. Current risk assessment methods are based on the assumption that, in the absence of sufficient data, carcinogenesis does not have a threshold, while noncarcinogenic endpoints are assumed to be thresholded. Advances in our fundamental understanding of the events that underlie toxicity are providing opportunities to address these assumptions about thresholds. A key events dose-response analytic framework was used to evaluate three aspects of toxicity. The first section illustrates how a fundamental understanding of the mode of action for the hepatic toxicity and the hepatocarcinogenicity of chloroform in rodents can replace the assumption of low-dose linearity. The second section describes how advances in our understanding of the molecular aspects of carcinogenesis allow us to consider the critical steps in genotoxic carcinogenesis in a key events framework. The third section deals with the case of endocrine disrupters, where the most significant question regarding thresholds is the possible additivity to an endogenous background of hormonal activity. Each of the examples suggests that current assumptions about thresholds can be refined. Understanding inter-individual variability in the events involved in toxicological effects may enable a true population threshold(s) to be identified. PMID:19690995

  4. Photoacoustic chemical sensing: layered systems and excitation source analysis

    NASA Astrophysics Data System (ADS)

    Marcus, Logan S.; Holthoff, Ellen L.; Pellegrino, Paul M.

    2015-05-01

    Photoacoustic spectroscopy (PAS) is a versatile tool that is well suited for the ranged interrogation of layered samples. We have previously demonstrated standoff photoacoustic (PA) chemical detection of condensed phase samples at one meter distance using an interferometric sensing platform. Current research investigates layered solid samples constructed from a thin layer of energetic material deposited on a substrate. The PA signal from the system, as measured by the interferometer, changes based on the differing optical and mechanical properties of the substrate. This signal variance must be understood in order to develop a sensor capable of detecting trace quantities of hazardous materials independent of the surface. Optical absorption and modal excitation are the two biggest sources of PA signal generated in the sample/substrate system. Finally, the mode of operation of the excitation source is investigated. Most PA sensing paradigms use a quantum cascade laser (QCL) operating in either pulsed or modulated CW mode. We will discuss photoacoustic signal generation with respect to these different operating modes.

  5. Chemical analysis applied to the radiation sterilization of solid ketoprofen

    NASA Astrophysics Data System (ADS)

    Colak, S.; Maquille, A.; Tilquin, B.

    2006-01-01

    The aim of this work is to investigate the feasibility of radiation sterilization of ketoprofen from a chemical point of view. Although irradiated ketoprofen has already been studied in the literature [Katusin-Razem et al., Radiat. Phys. Chem. 73 111-116 (2005)], new results, on the basis of electron spin resonance (ESR) measurements and the use of hyphenated techniques (GC-MS and LC-MS), are obtained. The ESR spectra of irradiated ketoprofen consists of four unresolved resonance peaks and the mean G-value of ketoprofen is found to be 4 +/- 0.9 nmoles/J, which is very small. HPLC-UV analyses indicate that no significant loss of ketoprofen is detected after irradiation. LC-MS-MS analyses show that the structures of the non-volatile final products are similar to ketoprofen. Benzaldehyde is detected in the irradiated samples after dynamic-extraction GC-MS. The analyses show that ketoprofen is radioresistant and therefore might be radiosterilized.

  6. A readability analysis of elementary-level science textbooks

    NASA Astrophysics Data System (ADS)

    Trainer, Robyn

    Given both the unprecedented attention to the importance of providing children with the best possible science textbooks and the overwhelming evidence that students in the United States are severely lacking the most basic science knowledge, the decline in the number of students pursuing science degrees is alarming. In spite of all the efforts being made, a disparity still exists between (1) the wealth of science information available, (2) the apparent ease of access to scientific information, and (3) the lack of scientific academic progress being made in classrooms across the United States. A literature review was conducted which included the areas of textbook analysis and textbook readability levels, the fields of textbook analysis and readability, and findings from recently published books about textbook readability. The majority of the literature reflected an urgent need for science textbooks to be revised. Based on the information gathered during the literature review, the study examined the readability levels of elementary level science textbooks that were published by six textbook publishers. Results from the study revealed that when used properly, readability formulas provide an objective look at textbooks. After applying these formulas to the selected elementary level science textbooks, it became clear that very few changes were implemented between the most recent previous editions and the current editions. The textbooks remain too difficult for the students using them. The findings from this study will help science textbook publishers and textbook writers see that some changes need to be made in the way their textbooks are written. In order to maintain a competitive edge in the global marketplace, more students need to pursue science. In order for more students to do that, they need to pursue science degrees, but in order for them to pursue science degrees, they need to have a certain degree of confidence and level of interest in the subject matter. For

  7. Virus and Bacterial Cell Chemical Analysis by NanoSIMS

    SciTech Connect

    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

  8. Systems-Level Analysis of Genome-Wide Association Data

    PubMed Central

    Farber, Charles R.

    2013-01-01

    Genome-wide association studies (GWAS) have emerged as the method of choice for identifying common variants affecting complex disease. In a GWAS, particular attention is placed, for obvious reasons, on single-nucleotide polymorphisms (SNPs) that exceed stringent genome-wide significance thresholds. However, it is expected that many SNPs with only nominal evidence of association (e.g., P < 0.05) truly influence disease. Efforts to extract additional biological information from entire GWAS datasets have primarily focused on pathway-enrichment analyses. However, these methods suffer from a number of limitations and typically fail to lead to testable hypotheses. To evaluate alternative approaches, we performed a systems-level analysis of GWAS data using weighted gene coexpression network analysis. A weighted gene coexpression network was generated for 1918 genes harboring SNPs that displayed nominal evidence of association (P ≤ 0.05) from a GWAS of bone mineral density (BMD) using microarray data on circulating monocytes isolated from individuals with extremely low or high BMD. Thirteen distinct gene modules were identified, each comprising coexpressed and highly interconnected GWAS genes. Through the characterization of module content and topology, we illustrate how network analysis can be used to discover disease-associated subnetworks and characterize novel interactions for genes with a known role in the regulation of BMD. In addition, we provide evidence that network metrics can be used as a prioritizing tool when selecting genes and SNPs for replication studies. Our results highlight the advantages of using systems-level strategies to add value to and inform GWAS. PMID:23316444

  9. Integrated separation and optical detection for novel on-chip chemical analysis

    SciTech Connect

    Warren, M.E.; Anex, D.S.; Rakestraw, D.; Gourley, P.L.

    1998-03-01

    This report represents the completion of a two years Laboratory Directed Research and Development (LDRD) program to investigate miniaturized systems for chemical detection and analysis. The future of advanced chemical detection and analysis is in miniature devices that are able to characterize increasingly complex samples, a laboratory on a chip. In this concept, chemical operations used to analyze complicated samples in a chemical laboratory sample handling, species separation, chemical derivitization and detection are incorporated into a miniature device. By using electrokinetic flow, this approach does not require pumps or valves, as fluids in microfabricated channels can be driven by externally applied voltages. This is ideal for sample handling in miniature devices. This project was to develop truly miniature on-chip optical systems based on Vertical Cavity Surface Emitting Lasers (VCSELs) and diffractive optics. These can be built into a complete system that also has on-chip electrokinetic fluid handling and chemical separation in a microfabricated column. The primary goal was the design and fabrication of an on-chip separation column with fluorescence sources and detectors that, using electrokinetic flow, can be used as the basis of an automated chemical analysis system. Secondary goals involved investigation of a dispersed fluorescence module that can be used to extend the versatility of the basic system and on chip, intracavity laser absorption as a high sensitivity detection technique.

  10. CHEMICAL DECOMPOSITION OF HIGH-LEVEL NUCLEAR WASTE STORAGE/DISPOSAL GLASSES UNDER IRRADIATION

    EPA Science Inventory

    The Offices of Energy Research and Environmental Management are immediately concerned with the development of storage/immobilization media for high-level nuclear wastes and excess weapons plutonium. These media must be stable and free of risk to the public or to the environment f...

  11. Using Static and Dynamic Visuals to Represent Chemical Change at Molecular Level

    ERIC Educational Resources Information Center

    Ardac, Dilek; Akaygun, Sevil

    2005-01-01

    The study examines the effectiveness of visually enhanced instruction that emphasizes molecular representations. Instructional conditions were specified in terms of the visual elaboration level (static and dynamic) and the presentation mode (whole class and individual). Fifty-two eighth graders (age range 14-15 years) participated in one of the…

  12. STUDIES RELATED TO CHEMICAL MECHANISMS OF GAS FORMATION IN HANFORD HIGH-LEVEL WASTES

    EPA Science Inventory

    The objective of this work is to develop a more detailed mechanistic understanding of the thermal reactions that lead to gas production in certain high-level waste storage tanks at the Hanford, Washington site. Prediction of the combustion hazard for these wastes and engineering ...

  13. Advances in Mid-Infrared Spectroscopy for Chemical Analysis.

    PubMed

    Haas, Julian; Mizaikoff, Boris

    2016-06-12

    Infrared spectroscopy in the 3-20 μm spectral window has evolved from a routine laboratory technique into a state-of-the-art spectroscopy and sensing tool by benefitting from recent progress in increasingly sophisticated spectra acquisition techniques and advanced materials for generating, guiding, and detecting mid-infrared (MIR) radiation. Today, MIR spectroscopy provides molecular information with trace to ultratrace sensitivity, fast data acquisition rates, and high spectral resolution catering to demanding applications in bioanalytics, for example, and to improved routine analysis. In addition to advances in miniaturized device technology without sacrificing analytical performance, selected innovative applications for MIR spectroscopy ranging from process analysis to biotechnology and medical diagnostics are highlighted in this review. PMID:27070183

  14. Advances in Mid-Infrared Spectroscopy for Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Haas, Julian; Mizaikoff, Boris

    2016-06-01

    Infrared spectroscopy in the 3–20 μm spectral window has evolved from a routine laboratory technique into a state-of-the-art spectroscopy and sensing tool by benefitting from recent progress in increasingly sophisticated spectra acquisition techniques and advanced materials for generating, guiding, and detecting mid-infrared (MIR) radiation. Today, MIR spectroscopy provides molecular information with trace to ultratrace sensitivity, fast data acquisition rates, and high spectral resolution catering to demanding applications in bioanalytics, for example, and to improved routine analysis. In addition to advances in miniaturized device technology without sacrificing analytical performance, selected innovative applications for MIR spectroscopy ranging from process analysis to biotechnology and medical diagnostics are highlighted in this review.

  15. Fixation and chemical analysis of single liquid particle

    NASA Astrophysics Data System (ADS)

    Kasahara, M.; Akashi, S.; Ma, C.-J.; Tohno, S.

    2000-08-01

    The sampling method and treatment procedures to fix liquid droplet as a solid particle were investigated and the elemental analysis of the fixed single particle was also tried applying PIXE and micro-PIXE analyses. Small liquid particles like fog droplet could be easily fixed by exposure to cyanoacrylate vapor within several minutes. Although large liquid particles like raindrops were also fixed successively, some of them were not perfect. Raindrops were easily fixed by freezing method. They existed in stable by exposure to cyanoacrylate vapor after freezing. The elemental concentration of single raindrop separated into 5 size ranges was determined using PIXE and micro-PIXE analysis. The concentration was dependent upon the raindrop size.

  16. Neural network based analysis for chemical sensor arrays

    SciTech Connect

    Hashem, S.; Keller, P.E.; Kouzes, R.T.; Kangas, L.J.

    1995-04-01

    Compact, portable systems capable of quickly identifying contaminants in the field are of great importance when monitoring the environment. In this paper, we examine the effectiveness of using artificial neural networks for real-time data analysis of a sensor array. Analyzing the sensor data in parallel may allow for rapid identification of contaminants in the field without requiring highly selective individual sensors. We use a prototype sensor array which consists of nine tin-oxide Taguchi-type sensors, a temperature sensor, and a humidity sensor. We illustrate that by using neural network based analysis of the sensor data, the selectivity of the sensor array may be significantly improved, especially when some (or all) the sensors are not highly selective.

  17. Chemical analysis of outgassing contaminants on spacecraft surfaces

    NASA Technical Reports Server (NTRS)

    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.

  18. High residue levels and the chemical form of mercury in tissues and organs of seabirds

    SciTech Connect

    Kim, E.Y.; Murakami, Toru; Saeki, Kazutoshi; Tatsukawa, Ryo

    1995-12-31

    Total and organic (methyl) mercury in liver, muscle, kidney and feather of 9 species of seabirds were analyzed to determine the levels and their distribution and to clarify the occurrences of high mercury levels and their detoxification process in seabirds. Total mercury levels in liver showed great variations in intra and interspecies, while organic mercury levels were less variable. As compared with species in relatively low mercury levels, the species which accumulated the high concentration of mercury like black-footed albatross exhibited the different distribution of mercury in the body: in total mercury burden, albatross species contained less than 10% in feather and over 50% in liver, while other species contained over 40% in feather and less than 20% in liver. The order of organic mercury concentrations in tissues were as follows: liver > kidney > muscle in seabirds examined, except oldsquaw. The mean percentage of organic mercury in total was 35%, 66%, and 36% in liver, muscle and kidney, respectively, for all the species. The significant negative correlations were found between organic mercury percentage to total mercury and total mercury concentrations in the liver and muscle of black-footed albatross and in the liver of laysan albatross. Furthermore, in liver, muscle, and kidney of all the species, the percentages of organic mercury had a negative trend with an increase of total mercury concentrations. The results suggest that albatross species may be capable for demethylating organic mercury in the tissues (mainly in liver), and for storing the mercury as immobilizable inorganic form in the liver as substitution for delivering organic mercury to other organs. It is noteworthy that the species with high degree of demethylation showed the lower mercury burdens in feather and slow moulting pattern.

  19. Wet chemical analysis for the semiconductor industry—a total view

    NASA Astrophysics Data System (ADS)

    Balazs, Marjorie K.

    1998-11-01

    The analysis of liquids to obtain information about semiconductor materials is known in the industry as "wet chemistry" and has been used since the beginning of the production of IC's. However, the analytical procedures never gained any significant attention until the mid 70's when the absolute measurement of phosphorus in PSG films by wet chemical analysis was incorporated by several industrial labs as the standard method of analysis. Today, over 120 different procedures are used to gain specific information about incoming and processed materials used in the industry. These procedures cover ultra pure water, chemicals, thin films, and wafer cleanliness. Furthermore, they are used to evaluate the cleanliness of reactors, cleanrooms, and components of all kinds that are used in cleanrooms, wet benches and reactors. This paper will cover a total look at the applications of wet chemical processes and the usefulness of the data obtained from these analytical techniques. The paper will cover not only those tests that one would expect to be done by wet processes such as the analysis of metals in chemicals, but will also cover many unusual applications of wet chemical analysis such as their usefulness in evaluating products from a variety of reactors. Included in this part of the presentation will be a unique application to determine ion implantation contaminants and recent advances for analyzing 300mm wafers without breaking them and the analysis of contamination metals in copper thin films. Actual data will be provided for each of the analytical techniques presented.

  20. Spectroscopic investigation and chemical properties analysis on anticancer compound; α,α,ά,ά-Tetrabromo-p-Xylene with computational analysis

    NASA Astrophysics Data System (ADS)

    Manzoor ali, M.; George, Gene; Ramalingam, S.; Periandy, S.; Gokulakrishnan, V.

    2016-02-01

    In order to explore the pharmaceutical applications, the vibrational spectra of α,α,ά,ά-Tetrabromo-p-Xylene (4αBX) were recorded using IR, Raman and NMR spectrometer with FT technique. The modified optimized structural bond parameters and vibrational group wavenumbers of molecule based on substitutional bonds, Mulliken atomic charge distribution, frontier molecular orbital levels, chemical properties, temperature dependence of thermodynamic parameters, NLO studies and natural bond orbital calculations of the molecule were performed using the HF and DFT model theories. The intense observation was made over the excitations between the electronic energy levels within the molecule which enable to explore the electronic properties. The distribution of Mulliken charges of present molecule were calculated and were interrelated with the architecture of the molecular bonds. The charge transformation over the frontier molecular orbitals between the ligand and rings has been thoroughly observed. The average Polarizability first order diagonal hyperpolarizability have been calculated and from which the linear and non linear optical activity of the molecule is interpreted in detail. The reactive site of the molecule was predicted from the molecular electrostatic potential contour map. From the thermodynamical analysis, it was found that, the values of thermo dynamic parameters were increasing with increasing temperature.

  1. Guidance on health effects of toxic chemicals. Safety Analysis Report Update Program

    SciTech Connect

    Foust, C.B.; Griffin, G.D.; Munro, N.B.; Socolof, M.L.

    1994-02-01

    Martin Marietta Energy Systems, Inc. (MMES), and Martin Marietta Utility Services, Inc. (MMUS), are engaged in phased programs to update the safety documentation for the existing US Department of Energy (DOE)-owned facilities. The safety analysis of potential toxic hazards requires a methodology for evaluating human health effects of predicted toxic exposures. This report provides a consistent set of health effects and documents toxicity estimates corresponding to these health effects for some of the more important chemicals found within MMES and MMUS. The estimates are based on published toxicity information and apply to acute exposures for an ``average`` individual. The health effects (toxicological endpoints) used in this report are (1) the detection threshold; (2) the no-observed adverse effect level; (3) the onset of irritation/reversible effects; (4) the onset of irreversible effects; and (5) a lethal exposure, defined to be the 50% lethal level. An irreversible effect is defined as a significant effect on a person`s quality of life, e.g., serious injury. Predicted consequences are evaluated on the basis of concentration and exposure time.

  2. Ultrafast laser induced breakdown spectroscopy for high spatial resolution chemical analysis

    NASA Astrophysics Data System (ADS)

    Zorba, Vassilia; Mao, Xianglei; Russo, Richard E.

    2011-02-01

    Femtosecond laser induced breakdown spectroscopy (LIBS) was used to identify the spatial resolution limitations and assess the minimal detectable mass restrictions in laser-ablation based chemical analysis. The atomic emission of sodium (Na) and potassium (K) dopants in transparent dielectric Mica matrices was studied, to find that both these elements could be detected from 450 nm diameter ablation craters, full-width-at-half-maximum (FWHM). Under optimal conditions, mass as low as 220 ag was measured, demonstrating the feasibility of using laser-ablation based chemical analysis to achieve high spatial resolution elemental analysis in real-time and at atmospheric pressure conditions.

  3. Pneumatically actuated microvalve circuits for programmable automation of chemical and biochemical analysis.

    PubMed

    Kim, Jungkyu; Stockton, Amanda M; Jensen, Erik C; Mathies, Richard A

    2016-02-23

    Programmable microfluidic platforms (PMPs) are enabling significant advances in the utility of microfluidics for chemical and biochemical analysis. Traditional microfluidic devices are analogous to application-specific devices - a new device is needed to implement each new chemical or biochemical assay. PMPs are analogous to digital electronic processors - all that is needed to implement a new assay is a change in the order of operations conducted by the device. In this review, we introduce PMPs based on normally-closed microvalves. We discuss recent applications of PMPs in diverse fields including genetic analysis, antibody-based biomarker analysis, and chemical analysis in planetary exploration. Prospects, challenges, and future concepts for this emerging technology will also be presented. PMID:26864083

  4. Contamination from electrically conductive silicone tubing during aerosol chemical analysis

    SciTech Connect

    Yu, Yong; Alexander, M. L.; Perraud, Veronique; Bruns, Emily; Johnson, Stan; Ezell, Michael J.; Finlayson-Pitts, Barbara J.

    2009-06-01

    Electrically conductive silicone tubing is used to minimize losses in sampling lines during the analysis of airborne particle size distributions and number concentrations. We report contamination from this tubing using gas chromatography-mass spectrometry (GC-MS) of filter-collected samples as well as by particle mass spectrometry. Comparison of electrically conductive silicone and stainless steel tubing showed elevated siloxanes only for the silicone tubing. The extent of contamination increased with length of tubing to which the sample was exposed, and decreased with increasing relative humidity.

  5. Analysis of chemical changes and microstructure characterization during deformation in ferritic stainless steel.

    PubMed

    Núñez, Andrés; Llovet, Xavier; Almagro, Juan F

    2013-08-01

    Uni- and biaxial tension deformation tests, with different degrees of deformation, have been done on AISI 430 (EN 1.4016) ferritic stainless steel samples, which had both different chemical compositions and had undergone different annealing treatments. The initial and deformed materials were characterized by using electron backscatter diffraction and backscatter electron imaging in a scanning electron microscope together with electron probe microanalysis. The correlation observed among the chemical compositions, annealing treatment, and strain level obtained after deformation is discussed. PMID:23628319

  6. Chemical factor analysis of skin cancer FTIR-FEW spectroscopic data

    NASA Astrophysics Data System (ADS)

    Bruch, Reinhard F.; Sukuta, Sydney

    2002-03-01

    Chemical Factor Analysis (CFA) algorithms were applied to transform complex Fourier transform infrared fiberoptical evanescent wave (FTIR-FEW) normal and malignant skin tissue spectra into factor spaces for analysis and classification. The factor space approach classified melanoma beyond prior pathological classifications related to specific biochemical alterations to health states in cluster diagrams allowing diagnosis with more biochemical specificity, resolving biochemical component spectra and employing health state eigenvector angular configurations as disease state sensors. This study demonstrated a wealth of new information from in vivo FTIR-FEW spectral tissue data, without extensive a priori information or clinically invasive procedures. In particular, we employed a variety of methods used in CFA to select the rank of spectroscopic data sets of normal benign and cancerous skin tissue. We used the Malinowski indicator function (IND), significance level and F-Tests to rank our data matrices. Normal skin tissue, melanoma and benign tumors were modeled by four, two and seven principal abstract factors, respectively. We also showed that the spectrum of the first eigenvalue was equivalent to the mean spectrum. The graphical depiction of angular disparities between the first abstract factors can be adopted as a new way to characterize and diagnose melanoma cancer.

  7. Lessons Learned: Using Low Cost, Uncooled Infrared Cameras for the Rapid Liquid Level Assessment of Chemical UXO and Storage Vessels

    SciTech Connect

    Young, Kevin Larry

    2002-09-01

    During the fall of 2001, the U.S. Army used low-cost infrared cameras provided by the INEEL to image 3190 aging ton shipping containers to determine if any contained liquid, possibly trace amounts of hazardous mustard agent. The purpose of the scan was to provide quick, "hands-off" assessment of the water-heater-sized containers before moving them with a crane. If the thermal images indicated a possible liquid level, extra safety precautions would be taken prior to moving the container. The technique of using infrared cameras to determine liquid levels in large storage tanks is well documented, but the application of this technique to ton shipping containers (45 to 1036 liters) and even smaller individual chemical munitions (2 to 4 liters) is unique and presents some interesting challenges. This paper describes the lessons learned, problems encountered and success rates associated with using low-cost infrared cameras to look for liquid levels within ton shipping containers and individual chemical munitions.

  8. Biological Sampling and Analysis in Sinclair and Dyes Inlets, Washington: Chemical Analyses for 2007 Puget Sound Biota Study

    SciTech Connect

    Brandenberger, Jill M.; Suslick, Carolynn R.; Johnston, Robert K.

    2008-10-09

    Evaluating spatial and temporal trends in contaminant residues in Puget Sound fish and macroinvertebrates are the objectives of the Puget Sound Ambient Monitoring Program (PSAMP). In a cooperative effort between the ENVironmental inVESTment group (ENVVEST) and Washington State Department of Fish and Wildlife, additional biota samples were collected during the 2007 PSAMP biota survey and analyzed for chemical residues and stable isotopes of carbon (δ13C) and nitrogen (δ15N). Approximately three specimens of each species collected from Sinclair Inlet, Georgia Basin, and reference locations in Puget Sound were selected for whole body chemical analysis. The muscle tissue of specimens selected for chemical analyses were also analyzed for δ13C and δ15N to provide information on relative trophic level and food sources. This data report summarizes the chemical residues for the 2007 PSAMP fish and macro-invertebrate samples. In addition, six Spiny Dogfish (Squalus acanthias) samples were necropsied to evaluate chemical residue of various parts of the fish (digestive tract, liver, embryo, muscle tissue), as well as, a weight proportional whole body composite (WBWC). Whole organisms were homogenized and analyzed for silver, arsenic, cadmium, chromium, copper, nickel, lead, zinc, mercury, 19 polychlorinated biphenyl (PCB) congeners, PCB homologues, percent moisture, percent lipids, δ13C, and δ15N.

  9. Chemical analysis of the hyphal wall of Schizophyllum commune.

    PubMed

    Sietsma, J H; Wessels, J G

    1977-01-24

    1. Purified hyphal wall fragments of Schizophyllum commune are analysed and shown to consist of glucose (67.6%), mannose (3.4%), xylose (0.2%), (N-acetyl)glucosamine (12.5%), amino acids (6.4%) and some lipid material (3.0%). 2. The previously proposed structures of two glucans located at the hyphal wall surface (Wessels et al. (1972) Biochim. Biophys. Acta 273, 346-358) were essentially confirmed using methylation analysis. The mucilaginous glucan consists of 1,3-linked beta-glucan chains with branches of single glucose units attached by beta-1,6 linkages on every third unit, on average, along the chain. The alkali soluble S-glucan is an exclusively 1,3-linked alpha-glucan. 3. The alkali-insoluble R-glucan, occurring in close association with chitin, in the inner wall layer, has been characterised by methylation analysis, X-ray diffraction, enzymatic hydrolysis with purified exo-beta-1,3-glucanase and Smith degradation. It appears to be a highly branched beta-1,3,beta-1,6-glucan and a model of this glucan is proposed. Certain parts of this highly insoluble R-glucan bear a close structural similarity to the mucilaginous glucan present at the outer wall surface and in the medium. PMID:189831

  10. Near ground level sensing for spatial analysis of vegetation

    NASA Technical Reports Server (NTRS)

    Sauer, Tom; Rasure, John; Gage, Charlie

    1991-01-01

    Measured changes in vegetation indicate the dynamics of ecological processes and can identify the impacts from disturbances. Traditional methods of vegetation analysis tend to be slow because they are labor intensive; as a result, these methods are often confined to small local area measurements. Scientists need new algorithms and instruments that will allow them to efficiently study environmental dynamics across a range of different spatial scales. A new methodology that addresses this problem is presented. This methodology includes the acquisition, processing, and presentation of near ground level image data and its corresponding spatial characteristics. The systematic approach taken encompasses a feature extraction process, a supervised and unsupervised classification process, and a region labeling process yielding spatial information.

  11. Software for analysis of chemical mixtures--composition, occurrence, distribution, and possible toxicity

    USGS Publications Warehouse

    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/.

  12. Integrated optical sensor platform for multiparameter bio-chemical analysis.

    PubMed

    Lützow, Peter; Pergande, Daniel; Heidrich, Helmut

    2011-07-01

    There is growing demand for robust, reliable, low cost, and easy to use sensor systems that feature multiparameter analysis in many application areas ranging from safety and security to point of care and medical diagnostics. Here, we highlight the theory and show first experimental results on a novel approach targeting the realization of massively multiplexed sensor arrays. The presented sensor platform is based on arrays of frequency-modulated integrated optical microring resonators (MRR) fed by a single bus waveguide combined with lock-in detection to filter out in a reliable and simple manner their individual response to external stimuli. The working principle is exemplified on an array of four thermo-optically modulated MRR. It is shown that with this technique tracking of individual resonances is possible even in case of strong spectral overlap. PMID:21747482

  13. Chemical Analysis of Fornax dwarf spheroidal with VLT/FLAMES

    NASA Astrophysics Data System (ADS)

    Letarte, B.; Hill, V.; Tolstoy, E.

    The Fornax dSph is a nearby dwarf spheroidal galaxy with five globular clusters and a complex star formation history. It is one of the most massive dwarf spheroidal galaxies in the Local Group. Using the FLAMES/GIRAFFE spectrograph on the VLT, we have obtained high resolution (R˜20 000) spectra for 80 Red Giant Branch stars in the central 25' of the Fornax dSph. We present abundance ratios for some of the elements we have in our analysis, including alpha (Mg and Ca), iron-peak (Fe and Ni) and heavy (Y, Ba, Eu) elements. We compare our results with the Milky Way (MW) and our recent VLT/UVES abundance determinations of nine individual stars in Fornax globular clusters.

  14. Chemical Speciation of Americium, Curium and Selected Tetravalent Actinides in High Level Waste

    SciTech Connect

    Felmy, Andrew R.

    2005-06-01

    Large volumes of high-level waste (HLW) currently stored in tanks at DOE sites contain both sludges and supernatants. The sludges are composed of insoluble precipitates of actinides, radioactive fission products, and nonradioactive components. The supernatants are alkaline carbonate solutions, which can contain soluble actinides, fission products, metal ions, and high concentrations of major electrolytes including sodium hydroxide, nitrate, nitrite, phosphate, carbonate, aluminate, sulfate, and organic complexants. The organic complexants include several compounds that can form strong aqueous complexes with actinide species and fission products including ethylenediaminetetraacetic acid (EDTA), N-(2-hydroxyethyl)ethylenediaminetriacetic acid (HEDTA), nitrilotriacetic acid (NTA), iminodiacetic acid (IDA), citrate, glycolate, gluconate, and degradation products, formate and oxalate.

  15. Chemical Speciation of Americium, Curium and Selected Tetravalent Actinides in High Level Waste

    SciTech Connect

    Felmy, Andrew R.

    2006-06-01

    Large volumes of high-level waste (HLW) currently stored in tanks at DOE sites contain both sludges and supernatants. The sludges are composed of insoluble precipitates of actinides, radioactive fission products, and nonradioactive components. The supernatants are alkaline carbonate solutions, which can contain soluble actinides, fission products, metal ions, and high concentrations of major electrolytes including sodium hydroxide, nitrate, nitrite, phosphate, carbonate, aluminate, sulfate, and organic complexants. The organic complexants include several compounds that can form strong aqueous complexes with actinide species and fission products including ethylenediaminetetraacetic acid (EDTA), N-(2-hydroxyethyl)ethylenediaminetriacetic acid (HEDTA), nitrilotriacetic acid (NTA), iminodiacetic acid (IDA), citrate, glycolate, gluconate, and degradation products, formate and oxalate.

  16. Differentiation of the Chemical Profile of Piper arboreum Tissues Using NIR Spectrometry and Principal Component Analysis

    NASA Astrophysics Data System (ADS)

    Duarte, M. S.; Pontes, M. J. C.; Ramos, C. S.

    2016-01-01

    The differentiation of chemical profiles from Piper arboreum tissues using near infrared (NIR) spectrometry and principal component analysis (PCA) was addressed. The NIR analyses were performed with a small quantity of dried and ground tissues. Differences in the chemical composition of leaf, stem, and root tissues were observed. The results obtained were compared to those produced by gas chromatography-mass spectrometry (GC-MS) as the reference method, confirming the NIR results.

  17. High-level power analysis and optimization techniques

    NASA Astrophysics Data System (ADS)

    Raghunathan, Anand

    1997-12-01

    This thesis combines two ubiquitous trends in the VLSI design world--the move towards designing at higher levels of design abstraction, and the increasing importance of power consumption as a design metric. Power estimation and optimization tools are becoming an increasingly important part of design flows, driven by a variety of requirements such as prolonging battery life in portable computing and communication devices, thermal considerations and system cooling and packaging costs, reliability issues (e.g. electromigration, ground bounce, and I-R drops in the power network), and environmental concerns. This thesis presents a suite of techniques to automatically perform power analysis and optimization for designs at the architecture or register-transfer, and behavior or algorithm levels of the design hierarchy. High-level synthesis refers to the process of synthesizing, from an abstract behavioral description, a register-transfer implementation that satisfies the desired constraints. High-level synthesis tools typically perform one or more of the following tasks: transformations, module selection, clock selection, scheduling, and resource allocation and assignment (also called resource sharing or hardware sharing). High-level synthesis techniques for minimizing the area, maximizing the performance, and enhancing the testability of the synthesized designs have been investigated. This thesis presents high-level synthesis techniques that minimize power consumption in the synthesized data paths. This thesis investigates the effects of resource sharing on the power consumption in the data path, provides techniques to efficiently estimate power consumption during resource sharing, and resource sharing algorithms to minimize power consumption. The RTL circuit that is obtained from the high-level synthesis process can be further optimized for power by applying power-reducing RTL transformations. This thesis presents macro-modeling and estimation techniques for switching

  18. How Iron-Containing Proteins Control Dioxygen Chemistry: A Detailed Atomic Level Description Via Accurate Quantum Chemical and Mixed Quantum Mechanics/Molecular Mechanics Calculations.

    SciTech Connect

    Friesner, Richard A.; Baik, Mu-Hyun; Gherman, Benjamin F.; Guallar, Victor; Wirstam, Maria E.; Murphy, Robert B.; Lippard, Stephen J.

    2003-03-01

    Over the past several years, rapid advances in computational hardware, quantum chemical methods, and mixed quantum mechanics/molecular mechanics (QM/MM) techniques have made it possible to model accurately the interaction of ligands with metal-containing proteins at an atomic level of detail. In this paper, we describe the application of our computational methodology, based on density functional (DFT) quantum chemical methods, to two diiron-containing proteins that interact with dioxygen: methane monooxygenase (MMO) and hemerythrin (Hr). Although the active sites are structurally related, the biological function differs substantially. MMO is an enzyme found in methanotrophic bacteria and hydroxylates aliphatic C-H bonds, whereas Hr is a carrier protein for dioxygen used by a number of marine invertebrates. Quantitative descriptions of the structures and energetics of key intermediates and transition states involved in the reaction with dioxygen are provided, allowing their mechanisms to be compared and contrasted in detail. An in-depth understanding of how the chemical identity of the first ligand coordination shell, structural features, electrostatic and van der Waals interactions of more distant shells control ligand binding and reactive chemistry is provided, affording a systematic analysis of how iron-containing proteins process dioxygen. Extensive contact with experiment is made in both systems, and a remarkable degree of accuracy and robustness of the calculations is obtained from both a qualitative and quantitative perspective.

  19. Feature-level sentiment analysis by using comparative domain corpora

    NASA Astrophysics Data System (ADS)

    Quan, Changqin; Ren, Fuji

    2016-06-01

    Feature-level sentiment analysis (SA) is able to provide more fine-grained SA on certain opinion targets and has a wider range of applications on E-business. This study proposes an approach based on comparative domain corpora for feature-level SA. The proposed approach makes use of word associations for domain-specific feature extraction. First, we assign a similarity score for each candidate feature to denote its similarity extent to a domain. Then we identify domain features based on their similarity scores on different comparative domain corpora. After that, dependency grammar and a general sentiment lexicon are applied to extract and expand feature-oriented opinion words. Lastly, the semantic orientation of a domain-specific feature is determined based on the feature-oriented opinion lexicons. In evaluation, we compare the proposed method with several state-of-the-art methods (including unsupervised and semi-supervised) using a standard product review test collection. The experimental results demonstrate the effectiveness of using comparative domain corpora.

  20. A combined qualitative and quantitative procedure for the chemical analysis of urinary calculi

    PubMed Central

    Hodgkinson, A.

    1971-01-01

    A better understanding of the physico-chemical principles underlying the formation of calculus has led to a need for more precise information on the chemical composition of stones. A combined qualitative and quantitative procedure for the chemical analysis of urinary calculi which is suitable for routine use is presented. The procedure involves five simple qualitative tests followed by the quantitative determination of calcium, magnesium, inorganic phosphate, and oxalate. These data are used to calculate the composition of the stone in terms of calcium oxalate, apatite, and magnesium ammonium phosphate. Analytical results and derived values for five representative types of calculi are presented. PMID:5551382

  1. Cortisol levels and suicidal behavior: A meta-analysis.

    PubMed

    O'Connor, Daryl B; Ferguson, Eamonn; Green, Jessica A; O'Carroll, Ronan E; O'Connor, Rory C

    2016-01-01

    Suicide is a major cause of death worldwide, responsible for 1.5% of all mortality. The causes of suicidal behavior are not fully understood. Dysregulated hypothalamic-pituitary-adrenal (HPA) axis activity, as measured by cortisol levels, is one potential risk factor. This meta-analytic review aimed (i) to estimate the strength and variability of the association between naturally fluctuating cortisol levels and suicidal behavior and (ii) to identify moderators of this relationship. A systematic literature search identified 27 studies (N=2226; 779 suicide attempters and 1447 non-attempters) that met the study eligibility criteria from a total of 417 unique records initially examined. Estimates of effect sizes (r) obtained from these studies were analysed using Comprehensive Meta-Analysis. In these analyses, we compared participants identified as having a past history of suicide attempt(s) to those with no such history. Study quality, mean age of sample and percentage of male participants were examined as potential moderators. Overall, there was no significant effect of suicide group on cortisol. However, significant associations between cortisol and suicide attempts were observed as a function of age. In studies where the mean age of the sample was below 40 years the association was positive (i.e., higher cortisol was associated with suicide attempts; r=.234, p<.001), and where the mean age was 40 or above the association was negative (i.e., lower cortisol was associated with suicide attempts; r=-.129, p<.001). These findings confirm that HPA axis activity, as indicated by age-dependent variations in cortisol levels, is associated with suicidal behavior. The challenge for theory and clinical practice is to explain the complete reversal of the association with age and to identify its clinical implications. PMID:26555430

  2. Multi-level segment analysis: definition and applications in turbulence

    NASA Astrophysics Data System (ADS)

    Wang, Lipo

    2015-11-01

    The interaction of different scales is among the most interesting and challenging features in turbulence research. Existing approaches used for scaling analysis such as structure-function and Fourier spectrum method have their respective limitations, for instance scale mixing, i.e. the so-called infrared and ultraviolet effects. For a given function, by specifying different window sizes, the local extremal point set will be different. Such window size dependent feature indicates multi-scale statistics. A new method, multi-level segment analysis (MSA) based on the local extrema statistics, has been developed. The part of the function between two adjacent extremal points is defined as a segment, which is characterized by the functional difference and scale difference. The structure function can be differently derived from these characteristic parameters. Data test results show that MSA can successfully reveal different scaling regimes in turbulence systems such as Lagrangian and two-dimensional turbulence, which have been remaining controversial in turbulence research. In principle MSA can generally be extended for various analyses.

  3. Integrative Performance Analysis of a Novel Bone Level Tapered Implant.

    PubMed

    Dard, M; Kuehne, S; Obrecht, M; Grandin, M; Helfenstein, J; Pippenger, B E

    2016-03-01

    Primary mechanical stability, as measured by maximum insertion torque and resonance frequency analysis, is generally considered to be positively associated with successful secondary stability and implant success. Primary implant stability can be affected by several factors, including the quality and quantity of available bone, the implant design, and the surgical procedure. The use of a tapered implant design, for instance, has been shown to result in good primary stability even in clinical scenarios where primary stability is otherwise difficult to achieve with traditional cylindrical implants-for example, in soft bone and for immediate placement in extraction sockets. In this study, bone-type specific drill procedures are presented for a novel Straumann bone level tapered implant that ensure maximum insertion torque values are kept within the range of 15 to 80 Ncm. The drill procedures are tested in vitro using polyurethane foam blocks of variable density, ex vivo on explanted porcine ribs (bone type 3), and finally in vivo on porcine mandibles (bone type 1). In each test site, adapted drill procedures are found to achieve a good primary stability. These results are further translated into a finite element analysis model capable of predicting primary stability of tapered implants. In conclusion, we have assessed the biomechanical behavior of a novel taper-walled implant in combination with a bone-type specific drill procedure in both synthetic and natural bone of various types, and we have developed an in silico model for predicting primary stability upon implantation. PMID:26927485

  4. Analysis of precision in chemical oscillators: implications for circadian clocks

    NASA Astrophysics Data System (ADS)

    d'Eysmond, Thomas; De Simone, Alessandro; Naef, Felix

    2013-10-01

    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.

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

    PubMed

    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. PMID:27222376

  6. Requirements analysis for safety-critical systems: A chemical batch processing example

    NASA Astrophysics Data System (ADS)

    Delemos, R.; Saeed, A.; Anderson, T.

    1994-01-01

    An essential basis for the development of software for safety-critical systems is to establish high-quality requirements specifications. In the paper the authors present a methodology for requirements analysis that consists of: a framework which facilitates the systematic analysis of the safety requirements, a graph which records the safety specifications and their relationships, and a set of procedures for the quality analysis of the safety specifications. To illustrate the approach a case study, based on chemical batch processing, is presented.

  7. Laser-based mass spectrometry for in situ chemical composition analysis of planetary surfaces

    NASA Astrophysics Data System (ADS)

    Frey, Samira; Neuland, Maike B.; Grimaudo, Valentine; Moreno-García, Pavel; Riedo, Andreas; Tulej, Marek; Broekmann, Peter; Wurz, Peter

    2016-04-01

    Mass spectrometry is an important analytical technique in space research. The chemical composition of planetary surface material is a key scientific question on every space mission to a planet, moon or asteroid. Chemical composition measurements of rocky material on the surface are of great importance to understand the origin and evolution of the planetary body.[1] A miniature laser ablation/ionisation reflectron- type time-of-flight mass spectrometer (instrument name LMS) was designed and built at the University of Bern for planetary research.[2] Despite its small size and light weight, the LMS instrument still maintains the same capabilities as large laboratory systems, which makes it suitable for its application on planetary space missions.[3-5] The high dynamic range of about eight orders of magnitude, high lateral (μm-level) and vertical (sub-nm level) resolution and high detection sensitivity for almost all elements (10 ppb, atomic fraction) make LMS a versatile instrument for various applications. LMS is a suitable instrument for in situ measurements of elemental and isotope composition with high precision and accuracy. Measurements of Pb- isotope abundances can be used for dating of planetary material. Measurements of bio-relevant elements allow searching for past or present life on a planetary surface. The high spatial resolution, both in lateral and vertical direction, is of considerable interest, e.g. for analysis of inhomogeneous, extraterrestrial samples as well as weathering processes of planetary material. References [1] P. Wurz, D. Abplanalp, M. Tulej, M. Iakovleva, V.A. Fernandes, A. Chumikov, and G. Managadze, "Mass Spectrometric Analysis in Planetary Science: Investigation of the Surface and the Atmosphere", Sol. Sys. Res., 2012, 46, 408. [2] U. Rohner, J.A. Whitby, P. Wurz, "A miniature laser ablation time of flight mass spectrometer for in situ planetary exploration" Meas. Sci. Tch., 2003, 14, 2159. [3] M. Tulej, A. Riedo, M.B. Neuland, S

  8. Levels of chemical and microbiological pollutants in the vicinity of a waste incineration plant and human health risks: temporal trends.

    PubMed

    Vilavert, Lolita; Nadal, Martí; Figueras, María J; Kumar, Vikas; Domingo, José L

    2011-09-01

    In 2007, a program was initiated to monitor air levels of volatile organic compounds (VOCs) and bioaerosols in the vicinity of a municipal solid waste incinerator (MSWI) (Tarragona, Catalonia, Spain). To investigate the temporal trends of chemical and microbiological pollutants, four 6-monthly campaigns were performed. Air samples were collected at different distances and directions from the facility, as well as in reference sites. In general terms, the concentrations of microbiological agents were very similar to those found in urban zones worldwide. The seasonal evaluation of the results showed higher levels of gram-negative bacteria in winter, contrasting with the increase of the airborne amount of total bacteria in summer. On the other hand, the concentrations of VOCs (mean range: 7.6-18.2 μg m(-3)) were typical of suburban zones. The current exposure to those compounds should not mean additional health risks for the population living nearby. PMID:21550630

  9. Analysis of Cyberbullying Sensitivity Levels of High School Students and Their Perceived Social Support Levels

    ERIC Educational Resources Information Center

    Akturk, Ahmet Oguz

    2015-01-01

    Purpose: The purpose of this paper is to determine the cyberbullying sensitivity levels of high school students and their perceived social supports levels, and analyze the variables that predict cyberbullying sensitivity. In addition, whether cyberbullying sensitivity levels and social support levels differed according to gender was also…

  10. Chemical Analysis of Asymptotic Giant Branch Stars in M62

    NASA Astrophysics Data System (ADS)

    Lapenna, E.; Mucciarelli, A.; Ferraro, F. R.; Origlia, L.; Lanzoni, B.; Massari, D.; Dalessandro, E.

    2015-11-01

    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). For the majority (five out of six) of the AGB targets, we find that the abundances of both iron and titanium determined from neutral lines are significantly underestimated with respect to those obtained from ionized features, the latter being, instead, in agreement with those measured for the RGB targets. This is similar to recent findings in other clusters and may suggest the presence of nonlocal thermodynamic equilibrium (NLTE) effects. In the O-Na, Al-Mg, and Na-Al planes, the RGB stars show the typical correlations observed for GC stars. Instead, all the AGB targets are clumped in the regions where first-generation stars are expected to lie, similar to what was recently found for the AGB population of NGC 6752. While the sodium and aluminum abundances could be underestimated as a consequence of the NLTE bias affecting iron and titanium, the oxygen line used does not suffer from the same effects, and the lack of O-poor AGB stars therefore is a solid result. We can thus conclude that none of the investigated AGB stars belongs to the second stellar generation of M62. We also find an RGB star with extremely high sodium abundance ([Na/Fe] = +1.08 dex). Based on observations collected at the ESO-VLT (Cerro Paranal, Chile) under program 193.D-0232. Also based on observations (GO10120 and GO11609) with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555.

  11. Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

    PubMed

    Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

    2016-09-01

    The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. PMID:27311789

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

    PubMed Central

    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

  13. Reducing the matrix effects in chemical analysis: fusion of isotope dilution and standard addition methods

    NASA Astrophysics Data System (ADS)

    Pagliano, Enea; Meija, Juris

    2016-04-01

    The combination of isotope dilution and mass spectrometry has become an ubiquitous tool of chemical analysis. Often perceived as one of the most accurate methods of chemical analysis, it is not without shortcomings. Current isotope dilution equations are not capable of fully addressing one of the key problems encountered in chemical analysis: the possible effect of sample matrix on measured isotope ratios. The method of standard addition does compensate for the effect of sample matrix by making sure that all measured solutions have identical composition. While it is impossible to attain such condition in traditional isotope dilution, we present equations which allow for matrix-matching between all measured solutions by fusion of isotope dilution and standard addition methods.

  14. Multivariate data analysis for depth resolved chemical classification and quantification of sulfur in SNMS

    NASA Astrophysics Data System (ADS)

    Sommer, M.; Goschnick, J.

    2005-09-01

    The quantification of elements in quadrupole based SNMS is hampered by superpositions of atomic and cluster signals. Moreover, the conventional SNMS data evaluation employs only atomic signals to determine elemental concentrations, which not allows any chemical specifications of the determined elements. Improvements in the elemental quantification and additional chemical information can be obtained from kinetic energy analysis and the inclusion of molecular signals into mass spectra evaluation. With the help of multivariate data analysis techniques, the combined information is used for the first time for a quantitative and chemically distinctive determination of sulfur. The kinetic energy analysis, used to solve the interference of sulfur with O 2 at masses 32-34 D, turned out to be highly important for the new type of evaluation.

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

    PubMed

    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. PMID:25753999

  16. Inorganic chemical investigation by x-ray fluorescence analysis: The Viking Mars Lander

    USGS Publications Warehouse

    Toulmin, P., III; Baird, A.K.; Clark, B. C.; Keil, Klaus; Rose, H.J., Jr.

    1973-01-01

    The inorganic chemical investigation added in August 1972 to the Viking Lander scientific package will utilize an energy-dispersive X-ray fluorescence spectrometer in which four sealed, gas-filled proportional counters will detect X-rays emitted from samples of the Martian surface materials irradiated by X-rays from radioisotope sources (55Fe and 109Cd). The output of the proportional counters will be subjected to pulse-height analysis by an on-board step-scanning single-channel analyzer with adjustable counting periods. The data will be returned to Earth, via the Viking Orbiter relay system, and the spectra constructed, calibrated, and interpreted here. The instrument is inside the Lander body, and samples are to be delivered to it by the Viking Lander Surface Sampler. Calibration standards are an integral part of the instrument. The results of the investigation will characterize the surface materials of Mars as to elemental composition with accuracies ranging from a few tens of parts per million (at the trace-element level) to a few percent (for major elements) depending on the element in question. Elements of atomic number 11 or less are determined only as a group, though useful estimates of their individual abundances maybe achieved by indirect means. The expected radiation environment will not seriously hamper the measurements. Based on the results, inferences can be drawn regarding (1) the surface mineralogy and lithology; (2) the nature of weathering processes, past and present, and the question of equilibrium between the atmosphere and the surface; and (3) the extent and type of differentiation that the planet has undergone. The Inorganic Chemical Investigation supports and is supported by most other Viking Science investigations. ?? 1973.

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

    PubMed

    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. PMID:24682160

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

    PubMed

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

    2015-03-01

    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. PMID:25647718

  19. RSM Based Optimization of Chemical and Enzymatic Transesterification of Palm Oil: Biodiesel Production and Assessment of Exhaust Emission Levels

    PubMed Central

    Mumtaz, Muhammad Waseem; Anwar, Farooq; Saari, Nazamid

    2014-01-01

    Current study presents RSM based optimized production of biodiesel from palm oil using chemical and enzymatic transesterification. The emission behavior of biodiesel and its blends, namely, POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 was examined using diesel engine (equipped with tube well). Optimized palm oil fatty acid methyl esters (POFAMEs) yields were depicted to be 47.6 ± 1.5, 92.7 ± 2.5, and 95.4 ± 2.0% for chemical transesterification catalyzed by NaOH, KOH, and NaOCH3, respectively, whereas for enzymatic transesterification reactions catalyzed by NOVOZYME-435 and A. n. lipase optimized biodiesel yields were 94.2 ± 3.1 and 62.8 ± 2.4%, respectively. Distinct decrease in particulate matter (PM) and carbon monoxide (CO) levels was experienced in exhaust emissions from engine operating on biodiesel blends POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 comparative to conventional petroleum diesel. Percentage change in CO and PM emissions for different biodiesel blends ranged from −2.1 to −68.7% and −6.2 to −58.4%, respectively, relative to conventional diesel, whereas an irregular trend was observed for NOx emissions. Only POB-5 and POB-20 showed notable reductions, whereas all other blends (POB-40 to POB-100) showed slight increase in NOx emission levels from 2.6 to 5.5% comparative to petroleum diesel. PMID:25162053

  20. RSM based optimization of chemical and enzymatic transesterification of palm oil: biodiesel production and assessment of exhaust emission levels.

    PubMed

    Mumtaz, Muhammad Waseem; Mukhtar, Hamid; Anwar, Farooq; Saari, Nazamid

    2014-01-01

    Current study presents RSM based optimized production of biodiesel from palm oil using chemical and enzymatic transesterification. The emission behavior of biodiesel and its blends, namely, POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 was examined using diesel engine (equipped with tube well). Optimized palm oil fatty acid methyl esters (POFAMEs) yields were depicted to be 47.6 ± 1.5, 92.7 ± 2.5, and 95.4 ± 2.0% for chemical transesterification catalyzed by NaOH, KOH, and NaOCH3, respectively, whereas for enzymatic transesterification reactions catalyzed by NOVOZYME-435 and A. n. lipase optimized biodiesel yields were 94.2 ± 3.1 and 62.8 ± 2.4%, respectively. Distinct decrease in particulate matter (PM) and carbon monoxide (CO) levels was experienced in exhaust emissions from engine operating on biodiesel blends POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 comparative to conventional petroleum diesel. Percentage change in CO and PM emissions for different biodiesel blends ranged from -2.1 to -68.7% and -6.2 to -58.4%, respectively, relative to conventional diesel, whereas an irregular trend was observed for NOx emissions. Only POB-5 and POB-20 showed notable reductions, whereas all other blends (POB-40 to POB-100) showed slight increase in NOx emission levels from 2.6 to 5.5% comparative to petroleum diesel. PMID:25162053

  1. Single-step enantioselective amino acid flux analysis by capillary electrophoresis using on-line sample preconcentration with chemical derivatization.

    PubMed

    Ptolemy, Adam S; Tran, Lara; Britz-McKibbin, Philip

    2006-07-15

    Capillary electrophoresis (CE) represents a versatile platform for integrating sample pretreatment with chemical analysis because of its ability to tune analyte electromigration and band dispersion properties in discontinuous electrolyte systems. In this article, a single-step method that combines on-line sample preconcentration with in-capillary chemical derivatization is developed for rapid, sensitive, and enantioselective analysis of micromolar levels of amino acids that lack intrinsic chromophores by CE with UV detection. Time-resolved electrophoretic studies revealed two distinct stages of amino acid band narrowing within the original long sample injection plug occurring both prior to and after in-capillary labeling via zone passing by ortho-phthalaldehyde/N-acetyl l-cysteine (OPA/NAC). This technique enabled direct analysis of d-amino acids in a 95% enantiomeric excess mixture with sub-micromolar detection limits and minimal sample handling, where the capillary functions as a preconcentrator, microreactor, and chiral selector. On-line sample preconcentration with chemical derivatization CE (SPCD-CE) was applied to study the enantioselective amino acid flux in Escherichia coli bacteria cultures, which demonstrated a unique l-Ala efflux into the extracellular medium. New strategies for high-throughput analyses of low-abundance metabolites are important for understanding fundamental physiological processes in bacteria required for screening the efficacy of new classes of antibiotics as well as altered metabolism in genetically modified mutant strains. PMID:16753129

  2. Analysis of Pfizer compounds in EPA's ToxCast chemicals-assay space.

    PubMed

    Shah, Falgun; Greene, Nigel

    2014-01-21

    The U.S. Environmental Protection Agency (EPA) launched the ToxCast program in 2007 with the goal of evaluating high-throughput in vitro assays to prioritize chemicals that need toxicity testing. Their goal was to develop predictive bioactivity signatures for toxic compounds using a set of in vitro assays and/or in silico properties. In 2009, Pfizer joined the ToxCast initiative by contributing 52 compounds with preclinical and clinical data for profiling across the multiple assay platforms available. Here, we describe the initial analysis of the Pfizer subset of compounds within the ToxCast chemical (n = 1814) and in vitro assay (n = 486) space. An analysis of the hit rate of Pfizer compounds in the ToxCast assay panel allowed us to focus our mining of assays potentially most relevant to the attrition of our compounds. We compared the bioactivity profile of Pfizer compounds to other compounds in the ToxCast chemical space to gain insights into common toxicity pathways. Additionally, we explored the similarity in the chemical and biological spaces between drug-like compounds and environmental chemicals in ToxCast and compared the in vivo profiles of a subset of failed pharmaceuticals having high similarity in both spaces. We found differences in the chemical and biological spaces of pharmaceuticals compared to environmental chemicals, which may question the applicability of bioactivity signatures developed exclusively based on the latter to drug-like compounds if used without prior validation with the ToxCast Phase-II chemicals. Finally, our analysis has allowed us to identify novel interactions for our compounds in particular with multiple nuclear receptors that were previously not known. This insight may help us to identify potential liabilities with future novel compounds. PMID:24328225

  3. Greenland Scotland overflow studied by hydro-chemical multivariate analysis

    NASA Astrophysics Data System (ADS)

    Fogelqvist, E.; Blindheim, J.; Tanhua, T.; Østerhus, S.; Buch, E.; Rey, F.

    2003-01-01

    Hydrographic, nutrient and halocarbon tracer data collected in July-August 1994 in the Norwegian Sea, the Faroe Bank Channel (FBC), the Iceland and Irminger Basins and the Iceland Sea are presented. Special attention was given to the overflow waters over the Iceland-Scotland Ridge (ISOW). The Iceland-Scottland overflow water (ISOW) was identified along its pathway in the Iceland Basin, and entrainment of overlying water masses was quantified by multivariate analysis (MVA) using principal component analysis (PCA) and Partial Least Square (PLS) calibration. It was concluded that the deeper portion of the ISOW in the FBC was a mixture of about equal parts of Norwegian Sea Deep Water (NSDW) and Norwegian Sea Arctic Intermediate Water (NSAIW). The mixing development of ISOW during its descent in the Iceland Basin was analysed in three sections across the plume. In the southern section at 61°N, where the ISOW core was observed at 2300 m depth, the fraction of waters originating north of the ridge was assessed to be 54%. MVA assessed the fractional composition of the ISOW to be 21% NSDW, 22% NSAIW, 18% Northeast Atlantic Water (NEAW), 11% Modified East Icelandic Water, 25% Labrador Sea Water (LSW) and 3% North East Atlantic Deep Water. It may be noted that the fraction of NEAW is of the same volume as the NSDW. On its further path around the Reykjanes Ridge, the ISOW mixed mainly with LSW, and at 63°N in the Irminger Basin, it was warmer and fresher ( θ=2.8°C and S=34.92) than at 61°N east of the ridge (θ=2.37° C, S=34.97) . The most intensive mixing occurred immediately west of the FBC, probably due to high velocity of the overflow plume through the channel, where annual velocity means exceeded 1.1 m s -1. This resulted in shear instabilities towards the overlying Atlantic waters and cross-stream velocities exceeding 0.3 m s -1 in the bottom boundary layer. The role of NSAIW as a component of ISOW is increasing. Being largely a product of winter convection in the

  4. Dynamic processes of conceptual change: Analysis of constructing mental models of chemical equilibrium

    NASA Astrophysics Data System (ADS)

    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.

  5. Studies Related to Chemical Mechanisms of Gas Formation in Hanford High-Level Nuclear Wastes

    SciTech Connect

    E. Kent Barefield; Charles L. Liotta; Henry M. Neumann

    2002-04-08

    The objective of this work is to develop a more detailed mechanistic understanding of the thermal reactions that lead to gas production in certain high-level waste storage tanks at the Hanford, Washington site. Prediction of the combustion hazard for these wastes and engineering parameters for waste processing depend upon both a knowledge of the composition of stored wastes and the changes that they undergo as a result of thermal and radiolytic decomposition. Since 1980 when Delagard first demonstrated that gas production (H2and N2O initially, later N2 and NH3)in the affected tanks was related to oxidative degradation of metal complexants present in the waste, periodic attempts have been made to develop detailed mechanisms by which the gases were formed. These studies have resulted in the postulation of a series of reactions that account for many of the observed products, but which involve several reactions for which there is limited, or no, precedent. For example, Al(OH)4 has been postulated to function as a Lewis acid to catalyze the reaction of nitrite ion with the metal complexants, NO is proposed as an intermediate, and the ratios of gaseous products may be a result of the partitioning of NO between two or more reactions. These reactions and intermediates have been the focus of this project since its inception in 1996.

  6. Chemical genoprotection: reducing biological damage to as low as reasonably achievable levels

    PubMed Central

    Alcaraz, M; Armero, D; Martínez-Beneyto, Y; Castillo, J; Benavente-García, O; Fernandez, H; Alcaraz-Saura, M; Canteras, M

    2011-01-01

    Objectives The aim of this study was to evaluate the antioxidant substances present in the human diet with an antimutagenic protective capacity against genotoxic damage induced by exposure to X-rays in an attempt to reduce biological damage to as low a level as reasonably possible. Methods Ten compounds were assessed using the lymphocyte cytokinesis-block micronucleus (MN) cytome test. The compounds studied were added to human blood at 25 μM 5 min before exposure to irradiation by 2 Gy of X-rays. Results The protective capacity of the antioxidant substances assessed was from highest to lowest according to the frequency of the MN generated by X-ray exposure: rosmarinic acid = carnosic acid = δ-tocopherol = l-acid ascorbic = apigenin = amifostine (P < 0.001) > green tea extract = diosmine = rutin = dimetylsulfoxide (P < 0.05) > irradiated control. The reduction in genotoxic damage with the radiation doses administered reached 58%, which represents a significant reduction in X-ray-induced chromosomal damage (P < 0.001). This degree of protection is greater than that obtained with amifostine, a radioprotective compound used in radiotherapy and which is characterised by its high toxicity. Conclusion Several antioxidant substances, common components of the human diet and lacking toxicity, offer protection from the biological harm induced by ionizing radiation. Administering these protective substances to patients before radiological exploration should be considered, even in the case of small radiation doses and regardless of the biological damage expected. PMID:21697157

  7. Chemical analysis of World Trade Center fine particulate matter for use in toxicologic assessment.

    PubMed Central

    McGee, John K; Chen, Lung Chi; Cohen, Mitchell D; Chee, Glen R; Prophete, Colette M; Haykal-Coates, Najwa; Wasson, Shirley J; Conner, Teri L; Costa, Daniel L; Gavett, Stephen H

    2003-01-01

    The catastrophic destruction of the World Trade Center (WTC) on 11 September 2001 caused the release of high levels of airborne pollutants into the local environment. To assess the toxicity of fine particulate matter [particulate matter with a mass median aerodynamic diameter < 2.5 microm (PM2.5)], which may adversely affect the health of workers and residents in the area, we collected fallen dust samples on 12 and 13 September 2001 from sites within a half-mile of Ground Zero. Samples of WTC dust were sieved, aerosolized, and size-separated, and the PM2.5 fraction was isolated on filters. Here we report the chemical and physical properties of PM2.5 derived from these samples and compare them with PM2.5 fractions of three reference materials that range in toxicity from relatively inert to acutely toxic (Mt. St. Helens PM; Washington, DC, ambient air PM; and residual oil fly ash). X-ray diffraction of very coarse sieved WTC PM (< 53 microm) identified calcium sulfate (gypsum) and calcium carbonate (calcite) as major components. Scanning electron microscopy confirmed that calcium-sulfur and calcium-carbon particles were also present in the WTC PM2.5 fraction. Analysis of WTC PM2.5 using X-ray fluorescence, neutron activation analysis, and inductively coupled plasma spectrometry showed high levels of calcium (range, 22-33%) and sulfur (37-43% as sulfate) and much lower levels of transition metals and other elements. Aqueous extracts of WTC PM2.5 were basic (pH range, 8.9-10.0) and had no evidence of significant bacterial contamination. Levels of carbon were relatively low, suggesting that combustion-derived particles did not form a significant fraction of these samples recovered in the immediate aftermath of the destruction of the towers. Because gypsum and calcite are known to cause irritation of the mucus membranes of the eyes and respiratory tract, inhalation of high doses of WTC PM2.5 could potentially cause toxic respiratory effects. PMID:12782501

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

    SciTech Connect

    Meyer, Matthew W.

    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.

  9. Fast determination of 3-ethenylpyridine as a marker of environmental tobacco smoke at trace level using direct atmospheric pressure chemical ionization tandem mass spectrometry

    NASA Astrophysics Data System (ADS)

    Jiang, Cheng-Yong; Sun, Shi-Hao; Zhang, Qi-Dong; Liu, Jun-Hui; Zhang, Jian-Xun; Zong, Yong-Li; Xie, Jian-Ping

    2013-03-01

    A method with atmospheric pressure chemical ionization tandem mass spectrometry (APCI-MS/MS) was developed and applied to direct analysis of Environmental Tobacco Smoke (ETS), using 3-ethenylpyridine (3-EP) as a vapour-phase marker. In this study, the ion source of APCI-MS/MS was modified and direct analysis of gas sample was achieved by the modified instrument. ETS samples were directly introduced, via an atmospheric pressure inlet, into the APCI source. Ionization was carried out in positive-ion APCI mode and 3-EP was identified by both full scan mode and daughter scan mode. Quantification of 3-EP was performed by multiple reaction monitoring (MRM) mode. The calibration curve was obtained in the range of 1-250 ng L-1 with a satisfactory regression coefficient of 0.999. The limit of detection (LOD) and the limit of quantification (LOQ) were 0.5 ng L-1 and 1.6 ng L-1, respectively. The precision of the method, calculated as relative standard deviation (RSD), was characterized by repeatability (RSD 3.92%) and reproducibility (RSD 4.81%), respectively. In real-world ETS samples analysis, compared with the conventional GC-MS method, the direct APCI-MS/MS has shown better reliability and practicability in the determination of 3-EP at trace level. The developed method is simple, fast, sensitive and repeatable; furthermore, it could provide an alternative way for the determination of other volatile pollutants in ambient air at low levels.

  10. Advanced accident sequence precursor analysis level 1 models

    SciTech Connect

    Sattison, M.B.; Thatcher, T.A.; Knudsen, J.K.; Schroeder, J.A.; Siu, N.O.

    1996-03-01

    INEL has been involved in the development of plant-specific Accident Sequence Precursor (ASP) models for the past two years. These models were developed for use with the SAPHIRE suite of PRA computer codes. They contained event tree/linked fault tree Level 1 risk models for the following initiating events: general transient, loss-of-offsite-power, steam generator tube rupture, small loss-of-coolant-accident, and anticipated transient without scram. Early in 1995 the ASP models were revised based on review comments from the NRC and an independent peer review. These models were released as Revision 1. The Office of Nuclear Regulatory Research has sponsored several projects at the INEL this fiscal year to further enhance the capabilities of the ASP models. Revision 2 models incorporates more detailed plant information into the models concerning plant response to station blackout conditions, information on battery life, and other unique features gleaned from an Office of Nuclear Reactor Regulation quick review of the Individual Plant Examination submittals. These models are currently being delivered to the NRC as they are completed. A related project is a feasibility study and model development of low power/shutdown (LP/SD) and external event extensions to the ASP models. This project will establish criteria for selection of LP/SD and external initiator operational events for analysis within the ASP program. Prototype models for each pertinent initiating event (loss of shutdown cooling, loss of inventory control, fire, flood, seismic, etc.) will be developed. A third project concerns development of enhancements to SAPHIRE. In relation to the ASP program, a new SAPHIRE module, GEM, was developed as a specific user interface for performing ASP evaluations. This module greatly simplifies the analysis process for determining the conditional core damage probability for a given combination of initiating events and equipment failures or degradations.

  11. Risk assessment of PCDD/Fs levels in human tissues related to major food items based on chemical analyses and micro-EROD assay.

    PubMed

    Tsang, H L; Wu, S C; Wong, C K C; Leung, C K M; Tao, S; Wong, M H

    2009-10-01

    Nine groups of food items (freshwater fish, marine fish, pork, chicken, chicken eggs, leafy, non-leafy vegetables, rice and flour) and three types of human samples (human milk, maternal serum and cord serum) were collected for the analysis of PCDD/Fs. Results of chemical analysis revealed PCDD/Fs concentrations (pg g(-1) fat) in the following ascending order: pork (0.289 pg g(-1) fat), grass carp (Ctenopharyngodon idellus) (freshwater fish) (0.407), golden thread (Nemipterus virgatus) (marine fish) (0.511), chicken (0.529), mandarin fish (Siniperca kneri) (marine fish) (0.535), chicken egg (0.552), and snubnose pompano (Trachinotus blochii) (marine fish) (1.219). The results of micro-EROD assay showed relatively higher PCDD/Fs levels in fish (2.65 pg g(-1) fat) when compared with pork (0.47), eggs (0.33), chicken (0.13), flour (0.07), vegetables (0.05 pg g(-1) wet wt) and rice (0.05). The estimated average daily intake of PCDD/Fs of 3.51 pg EROD-TEQ/kg bw/day was within the range of WHO Tolerable Daily Intake (1-4 pg WHO-TEQ/kg bw/day) and was higher than the Provisional Tolerable Daily Intake (PMTL) (70 pg for dioxins and dioxin-like PCBs) recommended by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) [Joint FAO/WHO Expert Committee on Food Additives (JECFA), Summary and conclusions of the fifty-seventh meeting, JECFA, 2001.]. Nevertheless, the current findings were significantly lower than the TDI (14 pg WHO-TEQ/kg/bw/day) recommended by the Scientific Committee on Food of the Europe Commission [European Scientific Committee on Food (EU SCF), Opinions on the SCF on the risk assessment of dioxins and dioxin-like PCBs in food, 2000.]. However, it should be noted that micro-EROD assay overestimates the PCDD/Fs levels by 2 to 7 folds which may also amplify the PCDD/Fs levels accordingly. Although the levels of PCDD/Fs obtained from micro-EROD assay were much higher than those obtained by chemical analysis by 2 to 7 folds, it provides a cost-effective and

  12. An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

    PubMed Central

    Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

    2014-01-01

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

  13. An inverse analysis approach to the characterization of chemical transport in paints.

    PubMed

    Willis, Matthew P; Stevenson, Shawn M; Pearl, Thomas P; Mantooth, Brent A

    2014-01-01

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

  14. A new technique to assess dermal absorption of volatile chemicals in vitro by thermal gravimetric analysis.

    PubMed

    Rauma, Matias; Isaksson, Tina S; Johanson, Gunnar

    2006-10-01

    Potential health hazards of dermal exposure, variability in reported dermal absorption rates and potential losses from the skin by evaporation indicate a need for a simple, inexpensive and standardized procedure to measure dermal absorption and desorption of chemical substances. The aim of this study was to explore the possibility to measure dermal absorption and desorption of volatile chemicals using a new gravimetric technique, namely thermal gravimetric analysis (TGA), and trypsinated stratum corneum from pig. Changes in skin weight were readily detected before, during and after exposure to vapours of water, 2-propanol, methanol and toluene. The shape and height of the weight curves differed between the four chemicals, reflecting differences in diffusivity and partial pressure and skin:air partitioning, respectively. As the skin weight is highly sensitive to the partial pressure of volatile chemicals, including water, this technique requires carefully controlled conditions with respect to air flow, temperature, chemical vapour generation and humidity. This new technique may help in the assessment of dermal uptake of volatile chemicals. Only a small piece of skin is needed and skin integrity is not necessary, facilitating the use of human samples. The high resolution weight-time curves obtained may also help to elucidate the characteristics of absorption, desorption and diffusion of chemicals in skin. PMID:16631342

  15. Analysis of the interaction of phytoestrogens and synthetic chemicals: An in vitro/in vivo comparison

    SciTech Connect

    Charles, Grantley D. . E-mail: charles_grantley@allergan.com; Gennings, Chris; Tornesi, Belen; Kan, H. Lynn; Zacharewski, Timothy R.; Bhaskar Gollapudi, B.; Carney, Edward W.

    2007-02-01

    In the evaluation of chemical mixture toxicity, it is desirable to develop an evaluation paradigm which incorporates some critical attributes of real world exposures, particularly low dose levels, larger numbers of chemicals, and chemicals from synthetic and natural sources. This study evaluated the impact of low level exposure to a mixture of six synthetic chemicals (SC) under conditions of co-exposure to various levels of plant-derived phytoestrogen (PE) compounds. Estrogenic activity was evaluated using an in vitro human estrogen receptor (ER) transcriptional activation assay and an in vivo immature rat uterotrophic assay. Initially, dose-response curves were characterized for each of the six SCs (methoxyclor, o,p-DDT, octylphenol, bisphenol A, {beta}-hexachlorocyclohexane, 2,3-bis(4-hydroxyphenyl)-propionitrile) in each of the assays. The six SCs were then combined at equipotent ratios and tested at 5-6 dose levels spanning from very low, sub-threshold levels, to a dose in which every chemical in the mixture was at its individual estrogenic response threshold. The SC mixtures also were tested in the absence or presence of 5-6 different levels of PEs, for a total of 36 (in vitro) or 25 (in vivo) treatment groups. Both in vitro and in vivo, low concentrations of the SC mixture failed to increase estrogenic responses relative to those induced by PEs alone. However, significant increases in response occurred when each chemical in the SC mixture was near or above its individual response threshold. In vitro, interactions between high-doses of SCs and PEs were greater than additive, whereas mixtures of SCs in the absence of PEs interacted in a less than additive fashion. In vivo, the SC and PE mixture responses were consistent with additivity. These data illustrate a novel approach for incorporating key attributes of real world exposures in chemical mixture toxicity assessments, and suggest that chemical mixture toxicity is likely to be of concern only when the

  16. THERMAL ANALYSIS OF GEOLOGIC HIGH-LEVEL RADIOACTIVE WASTE PACKAGES

    SciTech Connect

    Hensel, S.; Lee, S.

    2010-04-20

    The engineering design of disposal of the high level waste (HLW) packages in a geologic repository requires a thermal analysis to provide the temperature history of the packages. Calculated temperatures are used to demonstrate compliance with criteria for waste acceptance into the geologic disposal gallery system and as input to assess the transient thermal characteristics of the vitrified HLW Package. The objective of the work was to evaluate the thermal performance of the supercontainer containing the vitrified HLW in a non-backfilled and unventilated underground disposal gallery. In order to achieve the objective, transient computational models for a geologic vitrified HLW package were developed by using a computational fluid dynamics method, and calculations for the HLW disposal gallery of the current Belgian geological repository reference design were performed. An initial two-dimensional model was used to conduct some parametric sensitivity studies to better understand the geologic system's thermal response. The effect of heat decay, number of co-disposed supercontainers, domain size, humidity, thermal conductivity and thermal emissivity were studied. Later, a more accurate three-dimensional model was developed by considering the conduction-convection cooling mechanism coupled with radiation, and the effect of the number of supercontainers (3, 4 and 8) was studied in more detail, as well as a bounding case with zero heat flux at both ends. The modeling methodology and results of the sensitivity studies will be presented.

  17. Multi-Level Analysis of Pulsed Detonation Engines

    NASA Technical Reports Server (NTRS)

    Ebrahimi, Houshang B.; Mohanraj, Rajendran; Merkle, Charles L.

    2001-01-01

    The present study explores some issues concerning the operational performance of pulsed detonation engines. Zero-, one- and two-dimensional, transient models are employed in a synergistic manner to elucidate the various characteristics that can be expected from each level of analysis. The zero-dimensional model provides rapid parametric trends that help to identify the global characteristics of pulsed detonation engines. The one-dimensional model adds key wave propagation issues that are omitted in the zero-dimensional model and helps to assess its limitations. Finally, the two-dimensional model allows estimates of the first-order multi-dimensional effects and provides an initial multi-dimensional end-correction for the one-dimensional model. The zero-dimensional results indicate that the pulsed detonation engine is competitive with a rocket engine when exhausting to vacuum conditions. At finite back pressures, the PDE out-performs the rocket if the combustion pressure rise from the detonation is added to the chamber pressure in the rocket. If the two peak pressures are the same, the rocket performance is higher. Two-dimensional corrections added to the one-dimensional model result in a modest improvement in predicted specific impulse over the constant pressure boundary condition.

  18. Diagnostic Chemical Analysis of Exhaled Human Breath Using a Novel Sub-Millimeter Spectroscopic Approach

    NASA Astrophysics Data System (ADS)

    Fosnight, Alyssa M.; Moran, Benjamin L.; Branco, Daniela R.; Thomas, Jessica R.; Medvedev, Ivan R.

    2013-06-01

    As many as 3000 chemicals are reported to be found in exhaled human breath. Many of these chemicals are linked to certain health conditions and environmental exposures. Present state of the art techniques used for analysis of exhaled human breath include mass spectrometry based methods, infrared spectroscopic sensors, electro chemical sensors and semiconductor oxide based testers. Some of these techniques are commercially available but are somewhat limited in their specificity and exhibit fairly high probability of false alarm. Here, we present the results of our most recent study which demonstrated a novel application of a terahertz high resolutions spectroscopic technique to the analysis of exhaled human breath, focused on detection of ethanol in the exhaled breath of a person which consumed an alcoholic drink. This technique possesses nearly ``absolute'' specificity and we demonstrated its ability to uniquely identify ethanol, methanol, and acetone in human breath. This project is now complete and we are looking to extend this method of chemical analysis of exhaled human breath to a broader range of chemicals in an attempt to demonstrate its potential for biomedical diagnostic purposes.

  19. Application of physico-chemical procedures in the analysis of urinary calculi

    SciTech Connect

    Rodgers, A.L.

    1985-01-01

    All physico-chemical techniques used in the analysis of urinary calculi have inherent advantages and limitations. Although x-ray powder diffraction can identify constituents unambiguously, certain minor components can be missed. Infrared spectroscopy is more sensitive but band assignment at low concentrations is difficult. Scanning electron microscopy together with energy dispersive x-ray analysis permits the simultaneous investigation of morphology and chemical microstructure. With the electron microprobe, minor constituents can be detected but tedious sample preparation procedures are required. Transmission electron microscopy is extremely useful in determining constituent inter-relationships and ultrastructure but ultramicrotomy is very difficult. Thermal gravimetric analysis gives quantitative information easily but does not satisfactorily distinguish between struvite and brushite. In an attempt to assess the accuracy of chemical analyses, 62 calculi were investigated applying several chemical tests. Those for MgS , PO4(T ), NHU and uric acid proved highly reliable while that for CaS often yielded an incorrect result. The test for oxalate was totally unsatisfactory. Investigators of stone composition and structure should include x-ray diffraction (or infrared spectroscopy) and scanning electron microscopy as their methods of first choice. In addition, chemical or thermogravimetric analyses should be utilized in an auxiliary capacity.

  20. [Relativity of commercial specification of Menthae Herba based on chemical analysis].

    PubMed

    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. PMID:26080554

  1. Chemical genetic analysis reveals the effects of NMU2R on the expression of peptide hormones.

    PubMed

    Fang, Liyan; Zhang, Mancang; Li, Chunxia; Dong, Suzhen; Hu, Yinghe

    2006-08-14

    Neuromedin U 2 receptor (NMU2R) plays important roles for the regulation of food intake and body weight. However, the molecular mechanism underlying the action of NMU2R has not been clearly defined. We have taken chemical genetic approach to examine the involvement of peptides in the regulation of NMU2R effects. A cell-based reporter gene assay has been developed and used for the screening of human NMU2R agonist. Three natural product compounds, EUK2010, EUK2011 and EUK2012, were identified that could activate the reporter gene expression in the cell-based functional assay. Although these compounds showed high EC50 at hundreds micro-molar range, in vitro pharmacological analysis suggested that they were specific agonists for the human NMU2R. The natural compounds could decrease food intake and lead to the reduction of body weight in different animal models. To understand the molecular basis of the NMU2R regulation of food intake and body weight, we examined the expression of a number of key genes in hypothalamus and adipose tissues after oral administration of EUK2010 in mice. Our results demonstrated that the expression levels of a number of neuropeptide genes were altered after the treatment of EUK2010. Interestingly, EUK2010 increased the expression of Leptin in white fat. These results suggested that these peptides may participate in the regulation of NMU2R effects in mice. PMID:16781063

  2. Spatial distribution analysis of chemical and biochemical properties across Koiliaris CZO

    NASA Astrophysics Data System (ADS)

    Tsiknia, Myrto; Varouchakis, Emmanouil A.; Paranychianakis, Nikolaos V.; Nikolaidis, Nikolaos P.

    2015-04-01

    Arid and semi-arid ecosystems cover approximately 47% of the Earth's surface. Soils in these climatic zones are often severely degraded and poor in organic carbon and nutrients. Anthropogenic activities like overgrazing and intensive agricultural practices further exacerbate the quality of the soils making them more vulnerable to erosion and accelerating losses of nutrients which might end up to surface waterways degrading their quality. Data of the geospatial distribution of nutrient availability as well as on the involved processes at watershed level might help us to identify areas which will potentially act as sources of nutrients and probably will allow us to adopt appropriate management practices to mitigate environmental impacts. In the present study we have performed an extensive sampling campaign (50 points) across a typical Mediterranean watershed, the Koiliaris Critical Zone Observatory (CZO), organized in such a way to effectively capture the complex variability (climatic, soil properties, hydrology, land use) of the watershed. Analyses of soil physico-chemical properties (texture, pH, EC, TOC, TN, NO3--N, and NH4+-N) and biochemical assays (potential nitrification rate, nitrogen mineralization rate, enzymes activities) were carried out. Geostatistical analysis and more specifically the kriging interpolation method was employed to generate distribution maps of the distribution of nitrogen forms and of the related biochemical assays. Such maps could provide an important tool for effective ecosystem management and monitoring decisions.

  3. Bioassessment of contaminant transport and distribution in aquatic ecosystems by chemical analysis of burrowing mayflies (Hexagenia)

    USGS Publications Warehouse

    Steingraeber, M.T.; Wiener, J.G.

    1995-01-01

    Burrowing mayfly nymphs (Ephemeroptera) inhabit and ingest fine-grained sediments and detritus that may be enriched with metals and persistent organic compounds. The burrowing nymphs can externally adsorb and internally assimilate these contaminants, providing a link for the food chain transfer of potentially toxic substances from sediments to organisms in higher trophic levels. The emergent adults are short-lived and do not feed, thus their gut contents do not contribute greatly to their total contaminant burden. These characteristics make Hexagenia spp. And certain other burrowing mayflies useful for assessing ecosystem contamination. General protocols are presented for the collection, processing and analysis of emergent mayflies to assess the spatial distribution and bioaccumulation of sediment-associated contaminants in aquatic ecosystems. Two essential components of this bioassessment approach are a network of on-site volunteers with the materials and instructions needed to correctly collect and store samples and quality assurance procedures to estimate the accuracy of chemical analyses. The utility of this approach is demonstrated with an example of its application to the Upper Mississippi River (USA). Determination of cadmium, mercury and polychlorinated biphenyl congeners in emergent Hexagenia bilineata from a 1250 km reach of this river revealed (1) several source areas of contaminants and (2) distinct patterns in the bioaccumulation (and apparent sediment-associated transport) of each residue on both small and large spatial scales.

  4. Flickering Analysis of Erythrocyte Mechanical Properties: Dependence on Oxygenation Level, Cell Shape, and Hydration Level

    PubMed Central

    Yoon, Young-Zoon; Hong, Ha; Brown, Aidan; Kim, Dong Chung; Kang, Dae Joon; Lew, Virgilio L.; Cicuta, Pietro

    2009-01-01

    Erythrocytes (red blood cells) play an essential role in the respiratory functions of vertebrates, carrying oxygen from lungs to tissues and CO2 from tissues to lungs. They are mechanically very soft, enabling circulation through small capillaries. The small thermally induced displacements of the membrane provide an important tool in the investigation of the mechanics of the cell membrane. However, despite numerous studies, uncertainties in the interpretation of the data, and in the values derived for the main parameters of cell mechanics, have rendered past conclusions from the fluctuation approach somewhat controversial. Here we revisit the experimental method and theoretical analysis of fluctuations, to adapt them to the case of cell contour fluctuations, which are readily observable experimentally. This enables direct measurements of membrane tension, of bending modulus, and of the viscosity of the cell cytoplasm. Of the various factors that influence the mechanical properties of the cell, we focus here on: 1), the level of oxygenation, as monitored by Raman spectrometry; 2), cell shape; and 3), the concentration of hemoglobin. The results show that, contrary to previous reports, there is no significant difference in cell tension and bending modulus between oxygenated and deoxygenated states, in line with the softness requirement for optimal circulatory flow in both states. On the other hand, tension and bending moduli of discocyte- and spherocyte-shaped cells differ markedly, in both the oxygenated and deoxygenated states. The tension in spherocytes is much higher, consistent with recent theoretical models that describe the transitions between red blood cell shapes as a function of membrane tension. Cell cytoplasmic viscosity is strongly influenced by the hydration state. The implications of these results to circulatory flow dynamics in physiological and pathological conditions are discussed. PMID:19751665

  5. An Evaluation of a Teaching Intervention to Promote Students' Ability to Use Multiple Levels of Representation when Describing and Explaining Chemical Reactions

    ERIC Educational Resources Information Center

    Chandrasegaran, A. L.; Treagust, David F.; Mocerino, Mauro

    2008-01-01

    Students are generally known to memorise and regurgitate chemical equations without sufficient understanding of the changes that occur at the particulate level. In addition, they often fail to recognise the significance of the symbols and formulas that are used to represent chemical reactions. This article describes an evaluation of the ability of…

  6. Nanoparticle Enhanced Laser-Induced Breakdown Spectroscopy for Microdrop Analysis at subppm Level.

    PubMed

    De Giacomo, Alessandro; Koral, Can; Valenza, Gabriele; Gaudiuso, Rosalba; Dell'Aglio, Marcella

    2016-05-17

    In this paper, nanoparticle enhanced laser-induced breakdown spectroscopy (NELIBS) was applied to the elemental chemical analysis of microdrops of solutions with analyte concentration at subppm level. The effect on laser ablation of the strong local enhancement of the electromagnetic field allows enhancing the optical emission signal up to more than 1 order of magnitude, enabling LIBS to quantify ppb concentration and notably decreasing the limit of detection (LOD) of the technique. At optimized conditions, it was demonstrated that NELIBS can reach an absolute LOD of few picograms for Pb and 0.2 pg for Ag. The effect of field enhancement in NELIBS was tested on biological solutions such as protein solutions and human serum, in order to improve the sensitivity of LIBS with samples where the formation and excitation of the plasma are not as efficient as with metals. Even in these difficult cases, a significant improvement with respect to conventional LIBS was observed. PMID:27109702

  7. Socio-economic analysis for the authorisation of chemicals under REACH: a case of very high concern?

    PubMed

    Gabbert, Silke; Scheringer, Martin; Ng, Carla A; Stolzenberg, Hans-Christian

    2014-11-01

    Under the European chemicals' legislation, REACH, substances that are identified to be of "very high concern" will de facto be removed from the market unless the European Commission grants authorisations permitting specific uses. Companies who apply for an authorisation without demonstrating "adequate control" of the risks have to show by means of a socio-economic analysis (SEA) that positive impacts of use outweigh negative impacts for human health and ecosystems. This paper identifies core challenges where further in-depth guidance is urgently required in order to ensure that a SEA can deliver meaningful results and that it can effectively support decision-making on authorisation. In particular, we emphasise the need (i) to better guide the selection of tools for impact assessment, (ii) to explicitly account for stock pollution effects in impact assessments for persistent and very persistent chemicals, (iii) to define suitable impact indicators for PBT/vPvB chemicals given the lack of reliable information about safe concentration levels, (iv) to guide how impacts can be transformed into values for decision-making, and (v) to provide a well-balanced discussion of discounting of long-term impacts of chemicals. PMID:25220186

  8. Identification of different types of imperial age marble finds using instrumental chemical analysis and pattern recognition analysis.

    PubMed

    Campanella, L; Gregori, E; Tomassetti, M; Visco, G

    2001-01-01

    A physical-chemical characterisation of several marbles frequently used in ancient times for artistic or decorative purposes was performed in support the work of historians and restorers. The data were obtained using several different types of instrumental chemical methods (Thermogravimetry, Differential Thermal Analysis, X-ray Diffractometry and ICP Plasma Emission Spectroscopy) and have been summarised in short tables. The data have already proved useful in the identification of a small number of finds (statues or architectonic elements) from Ancient Rome (Imperial Age, 2nd-3nd cent. A.D.) for the purpose of which also a well-known pattern recognition analysis software package was used for data processing. In practice, the research showed that an organised set of chemical data obtained using several modern instrumental methods can provide a valid basis for the reasonably rapid and reliable identification of the type of marble used to make artistic artifacts that have not yet been subjected to typological study. PMID:11836948

  9. Chemical Gradient-mediated Melting Curve Analysis for Genotyping of Single Nucleotide Polymorphisms

    PubMed Central

    Russom, Aman; Irimia, Daniel; Toner, Mehmet

    2009-01-01

    This report describes a microfluidic solid-phase Chemical Gradient-mediated Melting Curve Analysis (CGMCA) method for single nucleotide polymorphism (SNP) analysis. The method is based on allele-specific denaturation to discriminate mismatched (MM) from perfectly matched (PM) DNA duplexes upon exposure to linear chemical gradient. PM and MM DNA duplexes conjugated on beads are captured in a microfluidic gradient generator device designed with dams, keeping the beads trapped perpendicular to a gradient generating channel. Two denaturants, formamide and urea, were tested for their ability to destabilize the DNA duplex by competing with Watson-Crick pairing. Upon exposure to the chemical gradient, rapid denaturing profile was monitored in real time using fluorescence microscopy. The results show that the two duplexes exhibit different kinetics of denaturation profiles, enabling discrimination of MM from PM DNA duplexes to score SNP. PMID:19593749

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

    PubMed

    Labbé, Nicole; Harper, David; Rials, Timothy; Elder, Thomas

    2006-05-17

    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 multivariate models of charcoal were able to distinguish between species and wood thermal treatments, revealing that the characteristics of the wood charcoal depend not only on the wood species, but also on the carbonization temperature. This work demonstrates the potential of mid infrared spectroscopy in the whiskey industry, from the identification and classification of the wood species for the mellowing process to the chemical characterization of the barrels after the toasting and charring process. PMID:19127715

  11. LANL organic analysis detection capabilities for chemical and biological warfare agents

    SciTech Connect

    Ansell, G.B.; Cournoyer, M.E.; Hollis, K.W.; Monagle, M.

    1996-12-31

    Organic analysis is the analytical arm for several Los Alamos National Laboratory (LANL) research programs and nuclear materials processes, including characterization and certification of nuclear and nonnuclear materials used in weapons, radioactive waste treatment and waste certification programs. Organic Analysis has an extensive repertoire of analytical technique within the group including headspace gas, PCBs/pesticides, volatile organics and semivolatile organic analysis. In addition organic analysis has mobile labs with analytic capabilities that include volatile organics, total petroleum hydrocarbon, PCBs, pesticides, polyaromatic hydrocarbons and high explosive screening. A natural extension of these capabilities can be applied to the detection of chemical and biological agents,

  12. 40 CFR 761.292 - Chemical extraction and analysis of individual samples and composite samples.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical extraction and analysis of individual samples and composite samples. 761.292 Section 761.292 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING, PROCESSING, DISTRIBUTION IN...

  13. A Chemical Instrumentation Game for Teaching Critical Thinking and Information Literacy in Instrumental Analysis Courses

    ERIC Educational Resources Information Center

    Henderson, David E.

    2010-01-01

    A simulation game is used to teach students in instrumental analysis courses to find the latest developments in the field, use the journal literature, and apply critical thinking to determine the relative importance of the work they find. They also learn about the business of chemical instruments and to make oral presentations. The competitive…

  14. 40 CFR 761.314 - Chemical analysis of standard wipe test samples.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical analysis of standard wipe test samples. 761.314 Section 761.314 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING,...

  15. MUTAGENICITY AND CHEMICAL ANALYSIS OF EMISSIONS FROM THE OPEN BURNING OF SCRAP RUBBER TIRES

    EPA Science Inventory

    The paper discusses the use of the Salmonella mutagenicity assay to perform bioassay-directed chemical analysis of emissions from the open burning of scrap rubber tires in both a small laboratory study using tires cut into two sizes (CHUNK and SHRED) and a field study of the larg...

  16. CHEMICAL ANALYSIS OF WORLD TRADE CENTER FINE PARTICULATE MATTER FOR USE IN TOXICOLOGICAL ASSESSMENT

    EPA Science Inventory

    Chemical Analysis of World Trade Center Fine Particulate Matter for Use in Toxicological Assessment
    John K. McGee1, Lung Chi Chen2, Mitchell D. Cohen2, Glen R. Chee2, Colette M. Prophete2, Najwa Haykal-Coates1, Shirley J. Wasson3, Teri L. Conner4, Daniel L. Costa1, and Steph...

  17. Fertilizer/Chemical Sales and Service Worker. Ohio's Competency Analysis Profile.

    ERIC Educational Resources Information Center

    Ohio State Univ., Columbus. Vocational Instructional Materials Lab.

    This Ohio Competency Analysis Profile (OCAP), derived from a modified Developing a Curriculum (DACUM) process, is a current comprehensive and verified employer competency program list for fertilizer/chemical sales and service workers. Each unit (with or without subunits) contains competencies and competency builders that identify the occupational,…

  18. Meta-analysis of toxicity and teratogenicity of 133 chemicals from zebrafish developmental toxicity studies

    EPA Science Inventory

    Zebrafish developmental toxicity testing is an emerging field, which faces considerable challenges regarding data meta-analysis and the establishment of standardized test protocols. Here, we present an initial correlation study on toxicity of 133 chemicals based on data in the li...

  19. Chemical Analysis of the Moon at the Surveyor VI Landing Site: Preliminary Results.

    PubMed

    Turkevich, A L; Patterson, J H; Franzgrote, E J

    1968-06-01

    The alpha-scattering experiment aboard soft-landing Surveyor VI has provided a chemical analysis of the surface of the moon in Sinus Medii. The preliminary results indicate that, within experimental errors, the composition is the same as that found by Surveyor V in Mare Tranquillitatis. This finding suggests that large portions of the lunar maria resemble basalt in composition. PMID:17749448

  20. FAST ANALYSIS OF BEVERAGES USING A MASS SPECTRAL BASED CHEMICAL SENSOR

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Detection of adulteration, contamination or inconsistencies in food and flavor samples should be accurate and fast. Chemical sensors are ideal for these types of applications because they provide fast measurement times (2-6 minutes). While analysis times are crucial, accuracy and precision of the ...