Science.gov

Sample records for improved chemical analysis

  1. 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

  2. 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

  3. 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

  4. Gaining improved chemical composition by exploitation of Compton-to-Rayleigh intensity ratio in XRF analysis.

    PubMed

    Hodoroaba, Vasile-Dan; Rackwitz, Vanessa

    2014-07-15

    The high specificity of the coherent (Rayleigh), as well as incoherent (Compton) X-ray scattering to the mean atomic number of a specimen to be analyzed by X-ray fluorescence (XRF), is exploited to gain more information on the chemical composition. Concretely, the evaluation of the Compton-to-Rayleigh intensity ratio from XRF spectra and its relation to the average atomic number of reference materials via a calibration curve can reveal valuable information on the elemental composition complementary to that obtained from the reference-free XRF analysis. Particularly for matrices of lower mean atomic numbers, the sensitivity of the approach is so high that it can be easily distinguished between specimens of mean atomic numbers differing from each other by 0.1. Hence, the content of light elements which are "invisible" for XRF, particularly hydrogen, or of heavier impurities/additives in light materials can be calculated "by difference" from the scattering calibration curve. The excellent agreement between such an experimental, empirical calibration curve and a synthetically generated one, on the basis of a reliable physical model for the X-ray scattering, is also demonstrated. Thus, the feasibility of the approach for given experimental conditions and particular analytical questions can be tested prior to experiments with reference materials. For the present work a microfocus X-ray source attached on an SEM/EDX (scanning electron microscopy/energy dispersive X-ray spectroscopy) system was used so that the Compton-to-Rayleigh intensity ratio could be acquired with EDX spectral data for improved analysis of the elemental composition. PMID:24950635

  5. Applying Chemical Imaging Analysis to Improve Our Understanding of Cold Cloud Formation

    NASA Astrophysics Data System (ADS)

    Laskin, A.; Knopf, D. A.; Wang, B.; Alpert, P. A.; Roedel, T.; Gilles, M. K.; Moffet, R.; Tivanski, A.

    2012-12-01

    The impact that atmospheric ice nucleation has on the global radiation budget is one of the least understood problems in atmospheric sciences. This is in part due to the incomplete understanding of various ice nucleation pathways that lead to ice crystal formation from pre-existing aerosol particles. Studies investigating the ice nucleation propensity of laboratory generated particles indicate that individual particle types are highly selective in their ice nucleating efficiency. This description of heterogeneous ice nucleation would present a challenge when applying to the atmosphere which contains a complex mixture of particles. Here, we employ a combination of micro-spectroscopic and optical single particle analytical methods to relate particle physical and chemical properties with observed water uptake and ice nucleation. Field-collected particles from urban environments impacted by anthropogenic and marine emissions and aging processes are investigated. Single particle characterization is provided by computer controlled scanning electron microscopy with energy dispersive analysis of X-rays (CCSEM/EDX) and scanning transmission X-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). A particle-on-substrate approach coupled to a vapor controlled cooling-stage and a microscope system is applied to determine the onsets of water uptake and ice nucleation including immersion freezing and deposition ice nucleation as a function of temperature (T) as low as 200 K and relative humidity (RH) up to water saturation. We observe for urban aerosol particles that for T > 230 K the oxidation level affects initial water uptake and that subsequent immersion freezing depends on particle mixing state, e.g. by the presence of insoluble particles. For T < 230 K the particles initiate deposition ice nucleation well below the homogeneous freezing limit. Particles collected throughout one day for similar meteorological conditions show very similar

  6. INVERSE QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP ANALYSIS FOR IMPROVING PREDICTIONS OF CHEMICAL TOXICITY

    EPA Science Inventory

    The toxic outcomes associated with environmental contaminants are often not due to the chemical form that was originally introduced into the environment, but rather to the chemical having undergone a transformation prior to reaching the vulnerable species. More importantly, the c...

  7. Improved Optical Fiber Chemical Sensors

    NASA Technical Reports Server (NTRS)

    Egalon, Claudio O.; Rogowski, Robert S.

    1994-01-01

    Calculations, based on exact theory of optical fiber, have shown how to increase optical efficiency sensitivity of active-core, step-index-profile optical-fiber fluorosensor. Calculations result of efforts to improve efficiency of optical-fiber chemical sensor of previous concept described in "Making Optical-Fiber Chemical Sensors More Sensitive" (LAR-14525). Optical fiber chemical detector of enhanced sensitivity made in several configurations. Portion of fluorescence or chemiluminescence generated in core, and launched directly into bound electromagnetic modes that propagate along core to photodetector.

  8. X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

    DOE PAGESBeta

    Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J. -S.; Kim, H.; Cirignano, L.; et al

    2013-01-12

    We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Film processing investigation. [improved chemical mixing system

    NASA Technical Reports Server (NTRS)

    Kelly, J. L.

    1972-01-01

    The present operational chemical mixing system for the Photographic Technology Division is evaluated, and the limitations are defined in terms of meeting the present and programmed chemical supply and delivery requirements. A major redesign of the entire chemical mixing, storage, analysis, and supply system is recommended. Other requirements for immediate and future implementations are presented.

  14. 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…

  15. Technical note: An improved estimate of uncertainty for source contribution from effective variance Chemical Mass Balance (EV-CMB) analysis

    NASA Astrophysics Data System (ADS)

    Shi, Guo-Liang; Zhou, Xiao-Yu; Feng, Yin-Chang; Tian, Ying-Ze; Liu, Gui-Rong; Zheng, Mei; Zhou, Yang; Zhang, Yuan-Hang

    2015-01-01

    The CMB (Chemical Mass Balance) 8.2 model released by the USEPA is a commonly used receptor model that can determine estimated source contributions and their uncertainties (called default uncertainty). In this study, we propose an improved CMB uncertainty for the modeled contributions (called EV-LS uncertainty) by adding the difference between the modeled and measured values for ambient species concentrations to the default CMB uncertainty, based on the effective variance least squares (EV-LS) solution. This correction reconciles the uncertainty estimates for EV and OLS regression. To verify the formula for the EV-LS CMB uncertainty, the same ambient datasets were analyzed using the equation we developed for EV-LS CMB uncertainty and a standard statistical package, SPSS 16.0. The same results were obtained by both ways indicate that the equation for EV-LS CMB uncertainty proposed here is acceptable. In addition, four ambient datasets were studies by CMB 8.2 and the source contributions as well as the associated uncertainties were obtained accordingly.

  16. 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.

  17. 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.

  18. 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)

  19. 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.

  20. Idaho Chemical Processing Plant Process Efficiency improvements

    SciTech Connect

    Griebenow, B.

    1996-03-01

    In response to decreasing funding levels available to support activities at the Idaho Chemical Processing Plant (ICPP) and a desire to be cost competitive, the Department of Energy Idaho Operations Office (DOE-ID) and Lockheed Idaho Technologies Company have increased their emphasis on cost-saving measures. The ICPP Effectiveness Improvement Initiative involves many activities to improve cost effectiveness and competitiveness. This report documents the methodology and results of one of those cost cutting measures, the Process Efficiency Improvement Activity. The Process Efficiency Improvement Activity performed a systematic review of major work processes at the ICPP to increase productivity and to identify nonvalue-added requirements. A two-phase approach was selected for the activity to allow for near-term implementation of relatively easy process modifications in the first phase while obtaining long-term continuous improvement in the second phase and beyond. Phase I of the initiative included a concentrated review of processes that had a high potential for cost savings with the intent of realizing savings in Fiscal Year 1996 (FY-96.) Phase II consists of implementing long-term strategies too complex for Phase I implementation and evaluation of processes not targeted for Phase I review. The Phase II effort is targeted for realizing cost savings in FY-97 and beyond.

  1. Improved sensitivity by use of gas chromatography-positive chemical ionization triple quadrupole mass spectrometry for the analysis of drug related substances.

    PubMed

    Van Gansbeke, Wim; Polet, Michael; Hooghe, Fiona; Devos, Christophe; Van Eenoo, Peter

    2015-09-15

    In 2013, the World Anti-Doping Agency (WADA) drastically lowered the minimum required performance levels (MRPLs) of most doping substances, demanding a substantial increase in sensitivity of the existing methods. For a number of compounds, conventional electron impact ionization gas chromatography tandem mass spectrometry (GC-EI-MS/MS) is often no longer sufficient to reach these MRPLs and new strategies are required. In this study, the capabilities of positive ion chemical ionization (PICI) GC-MS/MS are investigated for a wide range of drug related compounds of various classes by injection of silylated reference standards. Ammonia as PICI reagent gas had superior characteristics for GC-MS/MS purposes than methane. Compared to GC-EI-MS/MS, PICI (with ammonia as reagent gas) provided more selective ion transitions and consequently, increased sensitivity by an average factor of 50. The maximum increase (by factor of 500-1000) was observed in the analysis of stimulants, namely chlorprenaline, furfenorex and phentermine. In total, improved sensitivity was obtained for 113 out of 120 compounds. A new GC-PICI-MS/MS method has been developed and evaluated for the detection of a wide variety of exogenous doping substances and the quantification of endogenous steroids in urine in compliance with the required MRPLs established by WADA in 2013. The method consists of a hydrolysis and extraction step, followed by derivatization and subsequent 1μL pulsed splitless injection on GC-PICI-MS/MS (16min run). The increased sensitivity allows the set up of a balanced screening method that meets the requirements for both quantitative and qualitative compounds: sufficient capacity and resolution in combination with high sensitivity and short analysis time. This resulted in calibration curves with a wide linear range (e.g., 48-9600ng/mL for androsterone and etiochanolone; all r(2)>0.99) without compromising the requirements for the qualitative compounds. PMID:26296082

  2. Chromatographic speciation of Cr(III)-species, inter-species equilibrium isotope fractionation and improved chemical purification strategies for high-precision isotope analysis

    PubMed Central

    Larsen, K.K.; Wielandt, D.; Schiller, M.; Bizzarro, M.

    2016-01-01

    Chromatographic purification of chromium (Cr), which is required for high-precision isotope analysis, is complicated by the presence of multiple Cr-species with different effective charges in the acid digested sample aliquots. The differing ion exchange selectivity and sluggish reaction rates of these species can result in incomplete Cr recovery during chromatographic purification. Because of large mass-dependent inter-species isotope fractionation, incomplete recovery can affect the accuracy of high-precision Cr isotope analysis. Here, we demonstrate widely differing cation distribution coefficients of Cr(III)-species (Cr3+, CrCl2+ and CrCl2+) with equilibrium mass-dependent isotope fractionation spanning a range of ~1‰/amu and consistent with theory. The heaviest isotopes partition into Cr3+, intermediates in CrCl2+ and the lightest in CrCl2+/CrCl3°. Thus, for a typical reported loss of ~25% Cr (in the form of Cr3+) through chromatographic purification, this translates into 185 ppm/amu offset in the stable Cr isotope ratio of the residual sample. Depending on the validity of the mass-bias correction during isotope analysis, this further results in artificial mass-independent effects in the mass-bias corrected 53Cr/52Cr (μ53 Cr* of 5.2 ppm) and 54Cr/52Cr (μ54Cr* of 13.5 ppm) components used to infer chronometric and nucleosynthetic information in meteorites. To mitigate these fractionation effects, we developed strategic chemical sample pre-treatment procedures that ensure high and reproducible Cr recovery. This is achieved either through 1) effective promotion of Cr3+ by >5 days exposure to HNO3 —H2O2 solutions at room temperature, resulting in >~98% Cr recovery for most types of sample matrices tested using a cationic chromatographic retention strategy, or 2) formation of Cr(III)-Cl complexes through exposure to concentrated HCl at high temperature (>120 °C) for several hours, resulting in >97.5% Cr recovery using a chromatographic elution strategy that

  3. Chromatographic speciation of Cr(III)-species, inter-species equilibrium isotope fractionation and improved chemical purification strategies for high-precision isotope analysis.

    PubMed

    Larsen, K K; Wielandt, D; Schiller, M; Bizzarro, M

    2016-04-22

    Chromatographic purification of chromium (Cr), which is required for high-precision isotope analysis, is complicated by the presence of multiple Cr-species with different effective charges in the acid digested sample aliquots. The differing ion exchange selectivity and sluggish reaction rates of these species can result in incomplete Cr recovery during chromatographic purification. Because of large mass-dependent inter-species isotope fractionation, incomplete recovery can affect the accuracy of high-precision Cr isotope analysis. Here, we demonstrate widely differing cation distribution coefficients of Cr(III)-species (Cr(3+), CrCl(2+) and CrCl2(+)) with equilibrium mass-dependent isotope fractionation spanning a range of ∼1‰/amu and consistent with theory. The heaviest isotopes partition into Cr(3+), intermediates in CrCl(2+) and the lightest in CrCl2(+)/CrCl3°. Thus, for a typical reported loss of ∼25% Cr (in the form of Cr(3+)) through chromatographic purification, this translates into 185ppm/amu offset in the stable Cr isotope ratio of the residual sample. Depending on the validity of the mass-bias correction during isotope analysis, this further results in artificial mass-independent effects in the mass-bias corrected (53)Cr/(52)Cr (μ(53)Cr* of 5.2ppm) and (54)Cr/(52)Cr (μ(54)Cr* of 13.5ppm) components used to infer chronometric and nucleosynthetic information in meteorites. To mitigate these fractionation effects, we developed strategic chemical sample pre-treatment procedures that ensure high and reproducible Cr recovery. This is achieved either through 1) effective promotion of Cr(3+) by >5 days exposure to HNO3H2O2 solutions at room temperature, resulting in >∼98% Cr recovery for most types of sample matrices tested using a cationic chromatographic retention strategy, or 2) formation of Cr(III)-Cl complexes through exposure to concentrated HCl at high temperature (>120°C) for several hours, resulting in >97.5% Cr recovery using a

  4. 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

  5. Chemically modified primers for improved multiplex PCR

    PubMed Central

    Shum, Jonathan; Paul, Natasha

    2009-01-01

    Multiplexed PCR, the amplification of multiple targets in a single reaction, presents a new set of challenges that further complicate more traditional PCR set-ups. These complications include a greater probability for non-specific amplicon formation and for imbalanced amplification of different targets, each of which can compromise quantification and detection of multiple targets. Despite these difficulties, multiplex PCR is frequently used in such applications as pathogen detection, RNA quantification, mutation analysis and now, next generation DNA sequencing. Herein, we investigate the utility of primers with one or two thermolabile 4-oxo-1-pentyl phosphotriester modifications in improving multiplex PCR performance. Initial endpoint and real-time analyses reveal a decrease in off-target amplification and subsequent increase in amplicon yield. Furthermore, the use of modified primers in multiplex set-ups revealed a greater limit of detection and more uniform amplification of each target as compared to unmodified primers. Overall, the thermolabile modified primers present a novel and exciting avenue in improving multiplex PCR performance. PMID:19258004

  6. Improvement of chemical analysis of antibiotics. IX. A simple method for residual tetracyclines analysis in honey using a tandem cartridge clean-up system.

    PubMed

    Oka, H; Ikai, Y; Kawamura, N; Uno, K; Yamada, M; Harada, K; Uchiyama, M; Asukabe, H; Mori, Y; Suzuki, M

    1987-03-13

    A simple, rapid and precise analytical method for the residual tetracyclines in honey has been established using a tandem cartridge clean-up system (prepacked reversed-phase and ion-exchange cartridges) followed by high-performance liquid chromatography. The recoveries of oxytetracycline (OTC), tetracycline (TC), chlortetracycline (CTC) and doxycycline (DC) from honey spiked at a level of 1.0 ppm are 87.1, 85.3, 98.0 and 99.0%, respectively, with coefficients of variation of 1.1-3.9%. The detection limits in honey are 0.02 ppm for OTC and TC, and 0.05 ppm for CTC and DC, respectively. The time required for the analysis of four samples is only 1 h. PMID:3106387

  7. 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.

  8. 78 FR 48029 - Improving Chemical Facility Safety and Security

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-07

    .... [FR Doc. 2013-19220 Filed 8-6-13; 8:45 am] Billing code 3295-F3 ... Documents#0;#0; ] Executive Order 13650 of August 1, 2013 Improving Chemical Facility Safety and Security By... departments and agencies (agencies) with regulatory authority to further improve chemical facility safety...

  9. Chemical kinetics of cetane number improving agents

    SciTech Connect

    Hashimoto, K.; Akutsu, Y.; Arai, M.; Tamura, M.

    1996-12-31

    The increasing demand for diesel fuels has resulted in the use of greater percentage of cracked distillates having poor ignition properties. The ignition properties of diesel fuels can be rated in terms of their cetane number and diesel fuels having low cetane number may have poor ignition properties such as diesel knock, difficulties to start engines in the cold weather and so on. Such diesel fuels need cetane number improving agents. In the 1940s and 1950s alkyl nitrates, alkyl nitrites and organic peroxides were found to be effective cetane number improving additives. Our recent study suggests that free radicals produced from thermal decomposition just before ignition should have an important role to improve their ignition properties. However no studies on the reaction mechanism for improving effect of these additives have been attempted because of complex nature of spontaneous ignition reaction of hydrocarbons. In order to clarify the reaction mechanism for improving effects of cetane number improving agents. We here have attempted to simulate the spontaneous ignition of n-butane as a model compound in the presence of alkyl nitrites as cetane number improving agents.

  10. Improved ultra-performance liquid chromatography with electrospray ionization quadrupole-time-of-flight high-definition mass spectrometry method for the rapid analysis of the chemical constituents of a typical medical formula: Liuwei Dihuang Wan.

    PubMed

    Wang, Ping; Lv, Hai tao; Zhang, Ai hua; Sun, Hui; Yan, Guang li; Han, Ying; Wu, Xiu hong; Wang, Xi jun

    2013-11-01

    Liuwei Dihuang Wan (LDW), a classic Chinese medicinal formula, has been used to improve or restore declined functions related to aging and geriatric diseases, such as impaired mobility, vision, hearing, cognition, and memory. It has attracted increasing attention as one of the most popular and valuable herbal medicines. However, the systematic analysis of the chemical constituents of LDW is difficult and thus has not been well established. In this paper, a rapid, sensitive, and reliable ultra-performance LC with ESI quadrupole TOF high-definition MS method with automated MetaboLynx analysis in positive and negative ion mode was established to characterize the chemical constituents of LDW. The analysis was performed on a Waters UPLC™ HSS T3 using a gradient elution system. MS/MS fragmentation behavior was proposed for aiding the structural identification of the components. Under the optimized conditions, a total of 50 peaks were tentatively characterized by comparing the retention time and MS data. It is concluded that a rapid and robust platform based on ultra-performance LC with ESI quadrupole TOF high-definition MS has been successfully developed for globally identifying multiple constituents of traditional Chinese medicine prescriptions. This is the first report on the systematic analysis of the chemical constituents of LDW. PMID:24039112

  11. Simplified quantification of labile proton concentration-weighted chemical exchange rate (kws) with RF saturation time dependent ratiometric analysis (QUESTRA) - Normalization of relaxation and RF irradiation spillover effects for improved quantitative chemical exchange saturation transfer (CEST) MRI

    PubMed Central

    Sun, Phillip Zhe

    2012-01-01

    Chemical exchange saturation transfer (CEST) MRI is an emerging imaging technique capable of detecting dilute proteins/peptides and microenvironmental properties, with promising in vivo applications. However, CEST MRI contrast is complex, varying not only with the labile proton concentration and exchange rate, but also with experimental conditions such as field strength and RF irradiation scheme. Furthermore, the optimal RF irradiation power depends on the exchange rate, which must be estimated in order to optimize the CEST MRI experiments. Although methods including numerical fitting with modified Bloch-McConnell equations, quantification of exchange rate with RF saturation time and power (QUEST and QUESP), have been proposed to address this relationship, they require multiple-parameter non-linear fitting and accurate relaxation measurement. Our work here extended the QUEST algorithm with ratiometric analysis (QUESTRA) that normalizes the magnetization transfer ratio (MTR) at labile and reference frequencies, which effectively eliminates the confounding relaxation and RF spillover effects. Specifically, the QUESTRA contrast approaches its steady state mono-exponentially at a rate determined by the reverse exchange rate (kws), with little dependence on bulk water T1, T2, RF power and chemical shift. The proposed algorithm was confirmed numerically, and validated experimentally using a tissue-like phantom of serially titrated pH compartments. PMID:21842497

  12. Guidelines to improve airport preparedness against chemical and biological terrorism.

    SciTech Connect

    Edwards, Donna M.; Price, Phillip N.; Gordon, Susanna P.; Gadgil, Ashok

    2005-05-01

    Guidelines to Improve Airport Preparedness Against Chemical and Biological Terrorism is a 100-page document that makes concrete recommendations on improving security and assessing vulnerable areas and helps its readers understand the nature of chemical and biological attacks. The report has been turned over to Airports Council International (ACI) and the American Association of Airport Executives (AAAE), two organizations that together represent the interests of thousands of airport personnel and facilities in the U.S. and around the world.

  13. Resist roughness improvement by a chemical shrink process

    NASA Astrophysics Data System (ADS)

    Nagahara, Tatsuro; Sekito, Takashi; Matsuura, Yuriko

    2016-04-01

    In this paper, we will discuss the improvement of resist pattern roughness on NTD (Negative Tone Development) resist by chemical shrink process. Chemical shrink process is one of the most practical approaches to achieve small feature size CH (Contact Hole) or trench with ArF immersion lithography. We found that this shrink material has not only general benefits of shrink process like DOF (Depth of Focus) margin improvement, but also demonstrates a pattern smoothing effect through observation of the surface of shrink layer using SPM (Scanning Probe Microscope). Additionally, an improvement of LWR (Line Width Roughness) over 16% and an improvement of LCDU (Local Critical Dimension Uniformity) around 60% were observed.

  14. Evaluation of In Vitro Biotransformation Using HepaRG Cells to Improve High-Throughput Chemical Hazard Prediction: A Toxicogenomics Analysis (SOT)

    EPA Science Inventory

    The US EPA’s ToxCast program has generated a wealth of data in >600 in vitro assayson a library of 1060 environmentally relevant chemicals and failed pharmaceuticals to facilitate hazard identification. An inherent criticism of many in vitro-based strategies is the inability of a...

  15. Chemically induced mutation to improve fiber traits in upland cotton

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Modern Upland Cotton has a narrow germplasm base that often limits the success of breeding programs. Chemically induced mutations can be used to develop improved mutant populations and individual mutants with improved fiber traits that can be exploited by cotton breeders. About 5,000 seeds of the ge...

  16. Improved piezoelectric properties of cellular polypropylene ferroelectrets by chemical modification

    NASA Astrophysics Data System (ADS)

    An, Zhenlian; Zhao, Min; Yao, Junlan; Zhang, Yewen; Xia, Zhongfu

    2009-06-01

    To improve the thermal stability of piezoelectricity of polypropylene (PP) ferroelectrets, chemical modification of the cellular PP film was performed via chromic acid oxidation and then hydrofluoric acid treatment. Deep chemical modification is achieved as indicated by the energy-dispersive X-ray analyses on the cross-section of the modified cellular PP film. The results of the isothermal decay for piezoelectric d 33-coefficient at 70°C indicate the improved thermal stability of piezoelectricity and the enhanced piezoelectric activity of the modified PP ferroelectrets. The former is attributed to the improvement of thermal stability of the charges trapped in the internal void surface layers as indicated by the thermally stimulated discharge measurements, while the latter results not only from the improved thermal stability of the charges but also from the reduction in Young’s modulus of the PP ferroelectrets due to the chemical modification as revealed by the dielectric resonance analyses.

  17. 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.

  18. 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.

  19. 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

    A substantial fraction of fine mode aerosols are organic with the majority formed in the atmosphere through oxidation of gas phase compounds emitted from a variety of natural and man-made sources. As a result, organic aerosols are comprised of thousands of individual organic species whose complexity increases exponentially with carbon number and degree of atmospheric oxidation. Chemical characterization of individual compounds present in this complex mixture provides information on sources and transformation processes that are critical for apportioning organic carbon from an often convoluted mixture of sources and to constrain oxidation mechanisms needed for atmospheric models. These compounds also affect the physical and optical properties of the aerosol but the vast majority remain unidentified and missing from published mass spectral libraries because of difficulties in separating and identifying them. We have developed improved methodologies for chemical identification in order to better understand complex environmental mixtures. Our approach has been to combine two-dimensional gas chromatography with high resolution time of flight mass spectrometry (GC×GC-HRTOFMS) and both traditional electron ionization (EI) and vacuum ultraviolet (VUV) photoionization. GC×GC provides improved separation of individual compounds over traditional one dimensional GC and minimizes co-elution of peaks resulting in mass spectra that are virtually free of interferences. VUV ionization is a ';soft' ionization technique that reduces fragmentation and enhances the abundance of the parent or molecular ion, which when combined with high resolution mass spectrometry can provide molecular formulas for chromatographic peaks. We demonstrate our methodology by applying it to identify more than 500 individual compounds in aerosol filter samples collected at Blodgett Forest, a rural site in the Sierra Nevada Mountains. Using the EI NIST mass spectral library and molecular formulas determined

  20. 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)

  1. Improved procedures for the selective chemical fragmentation of rhamnogalacturonans.

    PubMed

    Deng, Chenghua; O'Neill, Malcolm A; Hahn, Michael G; York, William S

    2009-09-28

    The structural characterization of branched rhamnogalacturonans (RGs) requires the availability of methods that selectively cleave the Rhap-(1-->4)-alpha-GalAp linkage and thereby generate oligosaccharide fragments that are suitable for mass spectrometric and NMR spectroscopic analyses. Enzymic cleavage of this linkage is often ineffective, especially in highly branched RGs. Therefore, we have developed an improved chemical fragmentation method based on beta-elimination of esterified 4-linked GalpA residues. At least 85% of the carboxyl groups of the GalA residues in Arabidopsis thaliana seed mucilage RG is esterified using methyl iodide or 3-iodopropanol in Me(2)SO containing 8% water and 1% tetrabutylammonium fluoride. However, beta-elimination fragmentation at pH 7.3 and 120 degrees C is far more extensive with hydroxypropyl-esterified RG than with methyl-esterified RG. The non-reducing 4-deoxy-beta-l-threo-hex-4-enepyranosyluronic acid residue formed by the beta-elimination reaction is completely removed by treatment with aqueous N-bromosuccinimide, thereby simplifying the structural characterization of the chemically generated oligoglycosyl fragments. This newly developed procedure was used to selectively fragment the branched RG from peppergrass seed mucilage. The products were characterized using MALDI-TOF mass spectrometry, glycosyl residue composition analysis, and 1 and 2D NMR spectroscopy. Our data show that the most abundant low-molecular weight fragments contained a backbone rhamnose residue substituted at O-4 with a single sidechain, and suggest that peppergrass seed mucilage RG is composed mainly of the repeating unit 4-O-methyl-alpha-d-GlcpA-(1-->4)-beta-d-Galp-(1-->4)-[-->4)-alpha-d-GalpA-(1-->2)-]-alpha-l-Rhap-(1-->. PMID:19162261

  2. Improving weight of evidence approaches to chemical evaluations.

    PubMed

    Lutter, Randall; Abbott, Linda; Becker, Rick; Borgert, Chris; Bradley, Ann; Charnley, Gail; Dudley, Susan; Felsot, Alan; Golden, Nancy; Gray, George; Juberg, Daland; Mitchell, Mary; Rachman, Nancy; Rhomberg, Lorenz; Solomon, Keith; Sundlof, Stephen; Willett, Kate

    2015-02-01

    Federal and other regulatory agencies often use or claim to use a weight of evidence (WoE) approach in chemical evaluation. Their approaches to the use of WoE, however, differ significantly, rely heavily on subjective professional judgment, and merit improvement. We review uses of WoE approaches in key articles in the peer-reviewed scientific literature, and find significant variations. We find that a hypothesis-based WoE approach, developed by Lorenz Rhomberg et al., can provide a stronger scientific basis for chemical assessment while improving transparency and preserving the appropriate scope of professional judgment. Their approach, while still evolving, relies on the explicit specification of the hypothesized basis for using the information at hand to infer the ability of an agent to cause human health impacts or, more broadly, affect other endpoints of concern. We describe and endorse such a hypothesis-based WoE approach to chemical evaluation. PMID:25516407

  3. 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.

  4. Improving the electrical properties of graphene layers by chemical doping

    NASA Astrophysics Data System (ADS)

    Farooq Khan, Muhammad; Zahir Iqbal, Muhammad; Waqas Iqbal, Muhammad; Eom, Jonghwa

    2014-10-01

    Although the electronic properties of graphene layers can be modulated by various doping techniques, most of doping methods cost degradation of structural uniqueness or electrical mobility. It is matter of huge concern to develop a technique to improve the electrical properties of graphene while sustaining its superior properties. Here, we report the modification of electrical properties of single- bi- and trilayer graphene by chemical reaction with potassium nitrate (KNO3) solution. Raman spectroscopy and electrical transport measurements showed the n-doping effect of graphene by KNO3. The effect was most dominant in single layer graphene, and the mobility of single layer graphene was improved by the factor of more than 3. The chemical doping by using KNO3 provides a facile approach to improve the electrical properties of graphene layers sustaining their unique characteristics.

  5. 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...

  6. 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...

  7. 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.

  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. 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.

  10. 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.

  11. 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...

  12. 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...

  13. 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...

  14. 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.

  15. 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.

  16. 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.

  17. 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)

  18. SHIFTX2: significantly improved protein chemical shift prediction.

    PubMed

    Han, Beomsoo; Liu, Yifeng; Ginzinger, Simon W; Wishart, David S

    2011-05-01

    A new computer program, called SHIFTX2, is described which is capable of rapidly and accurately calculating diamagnetic (1)H, (13)C and (15)N chemical shifts from protein coordinate data. Compared to its predecessor (SHIFTX) and to other existing protein chemical shift prediction programs, SHIFTX2 is substantially more accurate (up to 26% better by correlation coefficient with an RMS error that is up to 3.3× smaller) than the next best performing program. It also provides significantly more coverage (up to 10% more), is significantly faster (up to 8.5×) and capable of calculating a wider variety of backbone and side chain chemical shifts (up to 6×) than many other shift predictors. In particular, SHIFTX2 is able to attain correlation coefficients between experimentally observed and predicted backbone chemical shifts of 0.9800 ((15)N), 0.9959 ((13)Cα), 0.9992 ((13)Cβ), 0.9676 ((13)C'), 0.9714 ((1)HN), 0.9744 ((1)Hα) and RMS errors of 1.1169, 0.4412, 0.5163, 0.5330, 0.1711, and 0.1231 ppm, respectively. The correlation between SHIFTX2's predicted and observed side chain chemical shifts is 0.9787 ((13)C) and 0.9482 ((1)H) with RMS errors of 0.9754 and 0.1723 ppm, respectively. SHIFTX2 is able to achieve such a high level of accuracy by using a large, high quality database of training proteins (>190), by utilizing advanced machine learning techniques, by incorporating many more features (χ(2) and χ(3) angles, solvent accessibility, H-bond geometry, pH, temperature), and by combining sequence-based with structure-based chemical shift prediction techniques. With this substantial improvement in accuracy we believe that SHIFTX2 will open the door to many long-anticipated applications of chemical shift prediction to protein structure determination, refinement and validation. SHIFTX2 is available both as a standalone program and as a web server ( http://www.shiftx2.ca ). PMID:21448735

  19. 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.

  20. Next Generation Surfactants for Improved Chemical Flooding Technology

    SciTech Connect

    Laura Wesson; Prapas Lohateeraparp; Jeffrey Harwell; Bor-Jier Shiau

    2012-05-31

    The principle objective of this project was to characterize and test current and next generation high performance surfactants for improved chemical flooding technology, focused on reservoirs in the Pennsylvanian-aged (Penn) sands. In order to meet this objective the characteristic curvatures (Cc) of twenty-eight anionic surfactants selected for evaluation for use in chemical flooding formulations were determined. The Cc values ranged from -6.90 to 2.55 with the majority having negative values. Crude oil samples from nine Penn sand reservoirs were analyzed for several properties pertinent to surfactant formulation for EOR application. These properties included equivalent alkane carbon numbers, total acid numbers, and viscosity. The brine samples from these same reservoirs were analyzed for several cations and for total dissolved solids. Surfactant formulations were successfully developed for eight reservoirs by the end of the project period. These formulations were comprised of a tertiary mixture of anionic surfactants. The identities of these surfactants are considered proprietary, but suffice to say the surfactants in each mixture were comprised of varying chemical structures. In addition to the successful development of surfactant formulations for EOR, there were also two successful single-well field tests conducted. There are many aspects that must be considered in the development and implementation of effective surfactant formulations. Taking into account these other aspects, there were four additional studies conducted during this project. These studies focused on the effect of the stability of surfactant formulations in the presence of polymers with an associated examination of polymer rheology, the effect of the presence of iron complexes in the brine on surfactant stability, the potential use of sacrificial agents in order to minimize the loss of surfactant to adsorption, and the effect of electrolytes on surfactant adsorption. In these last four studies

  1. Failure Analysis for Improved Reliability

    NASA Technical Reports Server (NTRS)

    Sood, Bhanu

    2016-01-01

    Outline: Section 1 - What is reliability and root cause? Section 2 - Overview of failure mechanisms. Section 3 - Failure analysis techniques (1. Non destructive analysis techniques, 2. Destructive Analysis, 3. Materials Characterization). Section 4 - Summary and Closure

  2. 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...

  3. 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.

  4. Chemical pretreatment of combined sewer overflows for improved UV disinfection.

    PubMed

    Gibson, J; Farnood, R; Seto, P

    2016-01-01

    The aim of this research was to better understand chemical pre-treatment of combined sewer overflows (CSOs) for subsequent ultraviolet (UV) disinfection. Approximately 200 jar tests were completed. Alum (Al2(S04)3·12H2O) resulted in a higher UV light transmission (UVT), and equivalent total suspended solids (TSS) removal, than ferric chloride (FeCl3). An alum dose of 20 mg/L increased the UVT of the raw CSO from 30 to 60% after settling. The addition of 100 mg/L of alum maximized UVT reaching approximately 85%. Flocculation did not increase UVT. However, it did improve the removal of TSS. Cationic polymers worked quickly compared with metal coagulants, but only reached a UVT of 60%. A high positive charge density on the polymer improved the removal of turbidity when compared with low charge, but did not affect UVT. If the goal is to maximise UVT, a very high alum dose may be preferred. If the goal is to minimize coagulant dose with moderate UV performance, cationic polymer at approximately 3 mg/L is recommended. PMID:26819393

  5. Improving Prediction of Prostate Cancer Recurrence using Chemical Imaging

    NASA Astrophysics Data System (ADS)

    Kwak, Jin Tae; Kajdacsy-Balla, André; Macias, Virgilia; Walsh, Michael; Sinha, Saurabh; Bhargava, Rohit

    2015-03-01

    Precise Outcome prediction is crucial to providing optimal cancer care across the spectrum of solid cancers. Clinically-useful tools to predict risk of adverse events (metastases, recurrence), however, remain deficient. Here, we report an approach to predict the risk of prostate cancer recurrence, at the time of initial diagnosis, using a combination of emerging chemical imaging, a diagnostic protocol that focuses simultaneously on the tumor and its microenvironment, and data analysis of frequent patterns in molecular expression. Fourier transform infrared (FT-IR) spectroscopic imaging was employed to record the structure and molecular content from tumors prostatectomy. We analyzed data from a patient cohort that is mid-grade dominant - which is the largest cohort of patients in the modern era and in whom prognostic methods are largely ineffective. Our approach outperforms the two widely used tools, Kattan nomogram and CAPRA-S score in a head-to-head comparison for predicting risk of recurrence. Importantly, the approach provides a histologic basis to the prediction that identifies chemical and morphologic features in the tumor microenvironment that is independent of conventional clinical information, opening the door to similar advances in other solid tumors.

  6. 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

  7. Chemical approaches to the improved performance of nanoelectronic devices

    NASA Astrophysics Data System (ADS)

    Chang, Noel N.

    Although randomly oriented CNT networks and polycrystalline graphene are easy to make and robust towards mechanical deformation, both materials suffer from resistive: at the intertube junctions in CNT networks and at grain boundaries in polycrystalline graphene sheets. In a process we have named "nanosoldering," a conductive material is deposited at the resistive junctions by operating the device in an atmosphere of a chemical precursor. The resistive heating that occurs at the "bad" junctions induces a thermal CVD process. The conductive material that is deposited at these junctions improves the overlap between the two nanotubes and decreases the junction resistance. Two precursors were utilized for this method: CpPd(allyl) to deposit Pd(0) and Hf(BH4)4 to deposit HfB2. In the SEM images post treatment, deposition is observed on many intertube junctions as well as along the lengths of some tubes; the latter can be eliminated by selecting the appropriate experimental conditions. For treatment with the Pd precursor, the ION/IOFF ratio improved by a factor of 6 on average. On the other hand, no improvement was observed for samples treated with the HfB2 precursor due to the large mismatch in work functions between CNTs and HfB2, which creates a Schottky barrier. A solution process was developed to improve the scalability of the nanosoldering process by eliminating the necessity of using a vacuum system and volatile chemical precursors. To do so, a nanosoldering precursor is spin-coated onto the solid substrate. The nanosoldering process is conducted in a commercial available probe station either in air or under vacuum, after which the excess material and byproduct are removed by a solvent rinse. Using this method, we show a comparable degree of device performance improvement using a nonvolatile Pd precursor, Pd2(dba)3. We also obtained improved device performance with a new carbon-based precursor, 1,3,5-tris(2-bromophenyl)benzene. Finally, preliminary experiments were

  8. 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.

  9. Evidence-Based Approaches to Improving Chemical Equilibrium Instruction

    ERIC Educational Resources Information Center

    Davenport, Jodi L.; Leinhardt, Gaea; Greeno, James; Koedinger, Kenneth; Klahr, David; Karabinos, Michael; Yaron, David J.

    2014-01-01

    Two suggestions for instruction in chemical equilibrium are presented, along with the evidence that supports these suggestions. The first is to use diagrams to connect chemical reactions to the effects of reactions on concentrations. The second is the use of the majority and minority species (M&M) strategy to analyze chemical equilibrium…

  10. Evaluation of mixed surfactants for improved chemical flooding

    SciTech Connect

    Llave, F.M.; French, T.R.; Lorenz, P.B.

    1993-02-01

    Phase behavior studies were conducted using combinations of a primary surfactant component and several ethoxylated surfactants. The objective of the study is to evaluate combinations of surfactants, anionic-nonionic and anionic-anionic mixtures, that would yield favorable phase behavior and solubilization capacity. The dependence of the solution behavior on the additive surfactant structure, surfactant type, oil, surfactant proportion, salinity, HLB, and temperature was observed. The results showed that the ethoxylated surfactants can improve the solution behavior of the overall system. The increase in optimum salinity range of these solutions corresponded to an increase in the degree of ethoxylation of additive surfactant, up to a certain limit. The nonionic surfactant additives yielded much higher salinities compared to the results from the ethoxylated anionics tested. The proportion of surfactant component in solution was critical in achieving a balance between the solubilization capacity and the enhancement in the system's salinity tolerance. Some combinations of these types of surfactants showed improved solution behavior with favorable solubilization capacity. The phase inversion temperature (PIT) method has been shown to be a relatively fast method for screening candidate surfactant systems. Comparisons were made using both the conventional salinity scan and the PIT method on selected chemical systems. The results showed good agreement between the salinity regions determined using both methods. A difference in the dependence of optimal salinity on HLB was observed for the different nonionics tested. The linear alkyl alcohol ethoxylates exhibited a behavior distinct from the dialkyl phenols at similar HLB levels with and without the primary sulfonate component in the solution. Other experiments performed at NIPER have shown that surfactant-enhanced alkaline flooding has good potential for the recovery of oil from Naval Petroleum Reserve Number 3 (NPR No. 3).

  11. Evaluation of mixed surfactants for improved chemical flooding

    SciTech Connect

    Llave, F.M.; French, T.R.; Lorenz, P.B.

    1993-02-01

    Phase behavior studies were conducted using combinations of a primary surfactant component and several ethoxylated surfactants. The objective of the study is to evaluate combinations of surfactants, anionic-nonionic and anionic-anionic mixtures, that would yield favorable phase behavior and solubilization capacity. The dependence of the solution behavior on the additive surfactant structure, surfactant type, oil, surfactant proportion, salinity, HLB, and temperature was observed. The results showed that the ethoxylated surfactants can improve the solution behavior of the overall system. The increase in optimum salinity range of these solutions corresponded to an increase in the degree of ethoxylation of additive surfactant, up to a certain limit. The nonionic surfactant additives yielded much higher salinities compared to the results from the ethoxylated anionics tested. The proportion of surfactant component in solution was critical in achieving a balance between the solubilization capacity and the enhancement in the system`s salinity tolerance. Some combinations of these types of surfactants showed improved solution behavior with favorable solubilization capacity. The phase inversion temperature (PIT) method has been shown to be a relatively fast method for screening candidate surfactant systems. Comparisons were made using both the conventional salinity scan and the PIT method on selected chemical systems. The results showed good agreement between the salinity regions determined using both methods. A difference in the dependence of optimal salinity on HLB was observed for the different nonionics tested. The linear alkyl alcohol ethoxylates exhibited a behavior distinct from the dialkyl phenols at similar HLB levels with and without the primary sulfonate component in the solution. Other experiments performed at NIPER have shown that surfactant-enhanced alkaline flooding has good potential for the recovery of oil from Naval Petroleum Reserve Number 3 (NPR No. 3).

  12. 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.

  13. 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.

  14. Improved chemical stability and conductivity of barium cerate nanopowders by Lanthanum doping.

    PubMed

    Lee, Hunhyeong; Park, Inyu; Shin, Dongwook

    2013-09-01

    Despite of the highest proton conductivity, barium cerate electrolytes are well known for the deficiency of chemical stability at elevated temperature under CO2 atmosphere. This work is focused on improving chemical stability of lanthanum doped barium cerate (BCL) powder for electrolyte. Although lanthanum doping causes distortion of perovskite structure lattice, immoderate doping could stabilize structure due to increasing symmetry of structure lattices. The thermogravimetric analysis and AC impedance measurements revealed that the lanthanum doping suppresses the reaction between barium and carbonate and this effect results in sufficient improvement in ionic conductivity in operating temperatures range. It was confirmed that BaCe0.7La0.3O3-delta (BCL30) was the most stable composition and the conductivity of BCL30 is high as 3.8 S x cm(-1) x K at 700 degrees C. PMID:24205607

  15. 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.

  16. 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

  17. Assuring the Safety of Chemicals through Improved Exposure Science

    EPA Science Inventory

    Thousands of chemicals are currently in commercial use and hundreds more are introduced each year. Of these, only a small fraction has been assessed adequately for potential risks. Existing chemical testing and exposure measurement protocols are expensive and time consuming. Fu...

  18. 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.

  19. 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.

  20. 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.

  1. Novel Self-Thickening Chemicals for Improved Conformance Control

    SciTech Connect

    Patrick J. Shuler, Ph.D.

    2011-07-18

    The objective of this project is to identify single chemical agents that exhibit a desirable rheological property whereby if such a chemical is dissolved in salt water it increases the solution viscosity significantly with time. We term that behavior as 'self-thickening' and have nicknamed this as 'T85 technology'. As detailed in the original project proposal, such single chemical products can be applied to advantage as agents for selectively slowing or blocking high flow water channels in subsurface oil reservoirs. The net effect is a decrease in water and an increase in oil flow and production. The initial testing has focused on five different synthetic co-polymers that have two or more chemical groups. These chemicals were dissolved at a concentration of 2500 ppm into different salt solutions (sodium chloride, potassium chloride, and calcium chloride) that encompass a range of dissolved salt concentrations. For the sodium chloride and potassium chloride solutions the salt concentration ranged from 1-5 wt%. The calcium chloride dihydrate sample concentrations ranged from 0.1-1 wt%. One set of samples being aged at 25 C and a second set at 50 C. Viscosity measurements versus aging time show two of these agents may exhibit apparent self-thickening behavior under certain salinity and temperature conditions. Generally the effect is greater in lower salinity NaCl brines and at 25 C. Preliminary flow experiments confirm that the aged fluids exhibit increased effective viscosity while flowing through a porous medium (sand pack). These flow tests include the case of the chemical fluid being aged on the bench before injection into a sand pack, and also a second series of sand packs where fresh chemical fluid is injected and allowed to age in-situ. Thus, the results of the static ageing tests together with the flow tests are a technical validation of the T85 concept.

  2. 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...

  3. 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...

  4. Conducting a SWOT Analysis for Program Improvement

    ERIC Educational Resources Information Center

    Orr, Betsy

    2013-01-01

    A SWOT (strengths, weaknesses, opportunities, and threats) analysis of a teacher education program, or any program, can be the driving force for implementing change. A SWOT analysis is used to assist faculty in initiating meaningful change in a program and to use the data for program improvement. This tool is useful in any undergraduate or degree…

  5. 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

  6. Development of Improved Chemicals and Plastics from Oilseeds

    SciTech Connect

    Nugent, Patricia A.; Lysenko, Zenon

    2006-11-09

    The overall objective of this program was to develop technology that can be applied to the production of various chemicals and plastics from seed oils. This research and development program included activities in all four key barrier areas identified in the US DOE Technology Roadmap for Plant/Crop-Based Renewable Resources, namely Plant Science, Production, Processing, and Utilization. Participants in the project included The Dow Chemical Company, Castor Oil, Inc., and the USDA Western Regional Research Center (WRRC). The objective of this production task was to evaluate and develop metathesis catalyst technology as a means of utilizing seed oils as feedstocks for the chemical industry. Specifically, ethenolysis of fatty acid methyl esters, FAME’s, leads to functionalized derivatives. These serve as valuable starting points for materials which cascade into a variety of applications, many of which have a current market presence. The relatively recent discovery and commercial availability of a family of metathesis catalysts which are tolerant of polar functional groups and the acquisition and implementation of high throughput synthesis and screening infrastructure led to a prime opportunity to investigate this project area.

  7. FMC Chemicals: Burner Management System Upgrade Improves Performance and Saves Energy at a Chemical Plant

    SciTech Connect

    Not Available

    2004-07-01

    FMC Chemicals Corporation increased the efficiency of two large coal-fired boilers at its soda ash mine in Green River, Wyoming, by upgrading the burner management system. The project yields annual energy savings of 250,000 MMBtu.

  8. 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) ...

  9. An improved viscous characteristics analysis program

    NASA Technical Reports Server (NTRS)

    Jenkins, R. V.

    1978-01-01

    An improved two dimensional characteristics analysis program is presented. The program is built upon the foundation of a FORTRAN program entitled Analysis of Supersonic Combustion Flow Fields With Embedded Subsonic Regions. The major improvements are described and a listing of the new program is provided. The subroutines and their functions are given as well as the input required for the program. Several applications of the program to real problems are qualitatively described. Three runs obtained in the investigation of a real problem are presented to provide insight for the input and output of the program.

  10. Improving transient analysis technology for aircraft structures

    NASA Technical Reports Server (NTRS)

    Melosh, R. J.; Chargin, Mladen

    1989-01-01

    Aircraft dynamic analyses are demanding of computer simulation capabilities. The modeling complexities of semi-monocoque construction, irregular geometry, high-performance materials, and high-accuracy analysis are present. At issue are the safety of the passengers and the integrity of the structure for a wide variety of flight-operating and emergency conditions. The technology which supports engineering of aircraft structures using computer simulation is examined. Available computer support is briefly described and improvement of accuracy and efficiency are recommended. Improved accuracy of simulation will lead to a more economical structure. Improved efficiency will result in lowering development time and expense.

  11. 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.

  12. 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.

  13. 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.

  14. Systems Improved Numerical Fluids Analysis Code

    NASA Technical Reports Server (NTRS)

    Costello, F. A.

    1990-01-01

    Systems Improved Numerical Fluids Analysis Code, SINFAC, consists of additional routines added to April, 1983, version of SINDA. Additional routines provide for mathematical modeling of active heat-transfer loops. Simulates steady-state and pseudo-transient operations of 16 different components of heat-transfer loops, including radiators, evaporators, condensers, mechanical pumps, reservoirs, and many types of valves and fittings. Program contains property-analysis routine used to compute thermodynamic properties of 20 different refrigerants. Source code written in FORTRAN 77.

  15. Exploring new chemical functionalities to improve aromatase inhibition of steroids.

    PubMed

    Varela, Carla L; Amaral, Cristina; Correia-da-Silva, Georgina; Costa, Saul C; Carvalho, Rui A; Costa, Giosuè; Alcaro, Stefano; Teixeira, Natércia A A; Tavares-da-Silva, Elisiário J; Roleira, Fernanda M F

    2016-06-15

    In this work, new potent steroidal aromatase inhibitors both in microsomes and in breast cancer cells have been found. The synthesis of the 3,4-(ethylenedioxy)androsta-3,5-dien-17-one (12), a new steroid containing a heterocycle dioxene fused in the A-ring, led to the discovery of a new reaction for which a mechanism is proposed. New structure-activity relationships were established. Some 5β-steroids, such as compound 4β,5β-epoxyandrostan-17-one (9), showed aromatase inhibitory activity, because they adopt a similar A-ring conformation as those of androstenedione, the natural substrate of aromatase. Moreover, new chemical features to increase planarity were disclosed, specifically the 3α,4α-cyclopropane ring, as in 3α,4α-methylen-5α-androstan-17-one (5) (IC50=0.11μM), and the Δ(9-11) double bond in the C-ring, as in androsta-4,9(11)-diene-3,17-dione (13) (IC50=0.25μM). In addition, induced-fit docking (IFD) simulations and site of metabolism (SoM) predictions helped to explain the recognition of new potent steroidal aromatase inhibitors within the enzyme. These insights can be valuable tools for the understanding of the molecular recognition process by the aromatase and for the future design of new steroidal inhibitors. PMID:27160054

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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...

  1. IMPROVING THE ENVIRONMENTAL PERFORMANCE OF CHEMICAL PROCESSES THROUGH THE USE OF INFORMATION TECHNOLOGY

    EPA Science Inventory

    Efforts are currently underway at the USEPA to develop information technology applications to improve the environmental performance of the chemical process industry. These efforts include the use of genetic algorithms to optimize different process options for minimal environmenta...

  2. 3 CFR 13650 - Executive Order 13650 of August 1, 2013. Improving Chemical Facility Safety and Security

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Chemical Facility Safety and Security 13650 Order 13650 Presidential Documents Executive Orders Executive Order 13650 of August 1, 2013 EO 13650 Improving Chemical Facility Safety and Security By the authority... and implemented numerous programs aimed at reducing the safety risks and security risks...

  3. 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

  4. Improved fiber-optic chemical sensor for penicillin

    SciTech Connect

    Healy, B.G.; Walt, D.R.

    1995-12-15

    An optical penicillin biosensor is described, based on the enzyme penicillinase. The sensor is fabricated by selective photodeposition of analyte-sensitive polymer matrices on optical imaging fibers. The penicillin-sensitive matrices are fabricated by immobilizing the enzyme as micrometer-sized particles in a polymer hydrogel with a covalently bound pH indicator. An array of penicillin-sensitive and pH-sensitive matrices are fabricated on the same fiber. This array allows for the simultaneous, independent measurement of pH and penicillin. Independent measurement of the two analytes allows penicillin to be quantitated in the presence of a concurrent pH change. An analysis was conducted of enzyme kinetic parameters in order to model the penicillin response of the sensor at all pH values. This analysis accounts for the varying activity of the immobilized penicillinase at different pH values. The sensor detects penicillin in the range 0.25-10.0 mM in the pH range 6.2-7.5. The sensor was used to quantify penicillin concentration produced during a Penicillium chrysogenum fermentation. 27 refs., 7 figs., 1 tab.

  5. Numerical simulation of Jet-A combustion approximated by improved propane chemical kinetics

    NASA Technical Reports Server (NTRS)

    Ying, Shuh-Jing; Nguyen, Hung Lee

    1991-01-01

    Through the effort devoted to the chemical kinetics for propane air combustion, three mechanisms are developed. The full mechanism consists of 131 reactions. This mechanism is used as a guide for the evaluation of other mechanisms, but because of the long expected cpu time, it is not to be incorporated into the computer code KIVA-II for actual simulation. Through the sensitivity analysis, a reduced mechanism of 45 reactions is produced. But the calculated results from the 45 reaction mechanism are always low in temperature. Some efforts are devoted to correct this situation and details are included in this report. A simplified mechanism of reactions is successfully improved and computed results are compared with experimental data. Contour plots of physical parameters and species concentrations and results for emission indices of CO and NOx are presented.

  6. 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...

  7. Chemical glycosylation of cytochrome c improves physical and chemical protein stability

    PubMed Central

    2014-01-01

    Background Cytochrome c (Cyt c) is an apoptosis-initiating protein when released into the cytoplasm of eukaryotic cells and therefore a possible cancer drug candidate. Although proteins have been increasingly important as pharmaceutical agents, their chemical and physical instability during production, storage, and delivery remains a problem. Chemical glycosylation has been devised as a method to increase protein stability and thus enhance their long-lasting bioavailability. Results Three different molecular weight glycans (lactose and two dextrans with 1 kD and 10 kD) were chemically coupled to surface exposed Cyt c lysine (Lys) residues using succinimidyl chemistry via amide bonds. Five neo-glycoconjugates were synthesized, Lac4-Cyt-c, Lac9-Cyt-c, Dex5(10kD)-Cyt-c, Dex8(10kD)-Cyt-c, and Dex3(1kD)-Cyt-c. Subsequently, we investigated glycoconjugate structure, activity, and stability. Circular dichroism (CD) spectra demonstrated that Cyt c glycosylation did not cause significant changes to the secondary structure, while high glycosylation levels caused some minor tertiary structure perturbations. Functionality of the Cyt c glycoconjugates was determined by performing cell-free caspase 3 and caspase 9 induction assays and by measuring the peroxidase-like pseudo enzyme activity. The glycoconjugates showed ≥94% residual enzyme activity and 86 ± 3 to 95 ± 1% relative caspase 3 activation compared to non-modified Cyt c. Caspase 9 activation by the glycoconjugates was with 92 ± 7% to 96 ± 4% within the error the same as the caspase 3 activation. There were no major changes in Cyt c activity upon glycosylation. Incubation of Dex3(1 kD)-Cyt c with mercaptoethanol caused significant loss in the tertiary structure and a drop in caspase 3 and 9 activation to only 24 ± 8% and 26 ± 6%, respectively. This demonstrates that tertiary structure intactness of Cyt c was essential for apoptosis induction. Furthermore, glycosylation protected Cyt c from

  8. 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,…

  9. 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.

  10. Development of an Improved Simulator for Chemical and Microbial EOR Methods

    SciTech Connect

    Pope, Gary A.; Sepehrnoori, Kamy; Delshad, Mojdeh

    2000-09-11

    The objective of this research was to extend the capability of an existing simulator (UTCHEM) to improved oil recovery methods that use surfactants, polymers, gels, alkaline chemicals, microorganisms and foam as well as various combinations of these in both conventional and naturally fractured oil reservoirs. Task 1 is the addition of a dual-porosity model for chemical improved of recovery processes in naturally fractured oil reservoirs. Task 2 is the addition of a foam model. Task 3 addresses several numerical and coding enhancements that will greatly improve the versatility and performance of UTCHEM. Task 4 is the enhancements of physical property models.

  11. 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.

  12. 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.

  13. Chemical synthesis and formulation design of a PEGylated vasoactive intestinal peptide derivative with improved metabolic stability.

    PubMed

    Onoue, Satomi; Matsui, Takuya; Kato, Masashi; Mizumoto, Takahiro; Liu, Baosheng; Liu, Liang; Karaki, Shin-ichiro; Kuwahara, Atsukazu; Yamada, Shizuo

    2013-06-14

    The present study aimed to design a PEGylated VIP derivative, [Arg(15, 20, 21), Leu(17)]-VIP-GRR (IK312532), with improved metabolic stability, and develop its respirable powder (RP) formulation for inhalation therapy. IK312532 was chemically conjugated with PEG (5 kDa, P5K), the physicochemical and biochemical properties of which were characterized by CD spectral analysis, binding assays, and metabolic stability. CD spectral analysis demonstrated that PEG conjugation had no impact on the conformational structure of IK312532. Although the receptor-binding activity of IK312532/P5K (IC₅₀: 82 nM) was estimated to be ca. 30-fold less than that of IK312532 (IC₅₀: 2.8 nM), the metabolic stability of IK312532/P5K was highly improved. The IK312532/P5K was jet-milled and blended with lactose carrier particles to provide RP formulation of IK312532/P5K (IK312532/P5K-RP). In vitro inhalation performance and in vivo pharmacological effects of the IK312532/P5K-RP in antigen-sensitized rats were also evaluated. In cascade impactor analyses, fine particle fraction of IK312532/P5K-RP was calculated to be ca. 37%. Insufflation of IK312532/P5K-RP (150 μg of IK312532/P5K) in antigen-sensitized rats resulted in marked attenuation of inflammatory events, as evidenced by significant decreases in inflammatory biomarkers and granulocyte recruitment in pulmonary tissue 24h after the antigen challenge. From these findings, PEGylation of a VIP derivative, as well as its strategic application to the RP formulation, may be a viable approach to improve its therapeutic potential for the treatment of airway inflammatory diseases. PMID:23608612

  14. Stratospheric Sampling and In Situ Atmospheric Chemical Element Analysis During Meteor Showers: A Resource Study

    NASA Technical Reports Server (NTRS)

    Noever, David A.

    2000-01-01

    Resources studies for asteroidal mining evaluation have depended historically on remote sensing analysis for chemical elements. During the November 1998 Leonids meteor shower, a stratospheric balloon and various low-density capture media were used to sample fragments from Comet Tempel-Tuttle debris during a peak Earth crossing. The analysis not only demonstrates how potential sampling strategies may improve the projections for metals or rare elements in astromining, but also benchmarks materials during low temperature (-60 F), high dessication environments as seen during atmospheric exposure. The results indicate high aluminum, magnesium and iron content for various sampled particles recovered, but generalization to the sporadic meteors expected from asteroidal sources will require future improvements in larger sampling volumes before a broad-use strategy for chemical analysis can be described. A repeat of the experimental procedure is planned for the November 1999 Leonids' shower, and various improvements for atmospheric sampling will be discussed.

  15. Chemical characterization and analysis of TNT composts

    SciTech Connect

    Thorne, P.G.; Leggett, D.C.; Jenkins, T.F.

    1995-12-31

    The US Army has considerable interest in restoring land previously contaminated with the explosive, TNT. One method of remediation that is economically attractive is composting. Previous work on TNT/soil composts indicates that TNT was initially converted to solvent-extractable reduction products. These compounds were subsequently bound in a non-solvent-extractable form. There was no evidence that mineralization occurred. Similar observations have been made with respect to TNT amended soils, activated sludge and tissues of plants grown hydroponically in TNT solutions. Last year the authors reported on a method that used acid hydrolysis after solvent extraction to release covalently-bound amino and diamino TNT-reduction products from a compost time-series. This year the authors have added a base hydrolysis step preceding the acid hydrolysis. About 25% of the original TNT can now be accounted for as covalently-bound reduction products in a 15-day compost. Furthermore, recovery experiments have revealed that the method is not yet very efficient with regard to recovery of spiked aminos and diaminos. Work is continuing on improving the method and/or developing a rigorous recovery correction factor so that a mass balance for TNT can be obtained.

  16. Improving Intelligence Analysis With Decision Science.

    PubMed

    Dhami, Mandeep K; Mandel, David R; Mellers, Barbara A; Tetlock, Philip E

    2015-11-01

    Intelligence analysis plays a vital role in policy decision making. Key functions of intelligence analysis include accurately forecasting significant events, appropriately characterizing the uncertainties inherent in such forecasts, and effectively communicating those probabilistic forecasts to stakeholders. We review decision research on probabilistic forecasting and uncertainty communication, drawing attention to findings that could be used to reform intelligence processes and contribute to more effective intelligence oversight. We recommend that the intelligence community (IC) regularly and quantitatively monitor its forecasting accuracy to better understand how well it is achieving its functions. We also recommend that the IC use decision science to improve these functions (namely, forecasting and communication of intelligence estimates made under conditions of uncertainty). In the case of forecasting, decision research offers suggestions for improvement that involve interventions on data (e.g., transforming forecasts to debias them) and behavior (e.g., via selection, training, and effective team structuring). In the case of uncertainty communication, the literature suggests that current intelligence procedures, which emphasize the use of verbal probabilities, are ineffective. The IC should, therefore, leverage research that points to ways in which verbal probability use may be improved as well as exploring the use of numerical probabilities wherever feasible. PMID:26581731

  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. Improvements to enforcement of multilateral environmental agreements to control international shipments of chemicals and wastes.

    PubMed

    Liu, Ning; Somboon, Vira; Wun'gaeo, Surichai; Middleton, Carl; Tingsabadh, Charit; Limjirakan, Sangchan

    2016-06-01

    Illegal trade in hazardous waste and harmful chemicals has caused severe damage on human health and the environment, and brought big challenges to countries to meet their commitments to related multilateral environmental agreements. Synergy-building, like organising law enforcement operations, is critical to address illegal trade in waste and chemicals, and further improve the effectiveness of environmental enforcement. This article discusses how and why law enforcement operations can help countries to implement chemical and waste-related multilateral environmental agreements in a more efficient and effective way. The research explores key barriers and factors for organising law enforcement operations, and recommends methods to improve law enforcement operations to address illegal trade in hazardous waste and harmful chemicals. PMID:27118737

  19. Improving chemical mapping algorithm and visualization in full-field hard x-ray spectroscopic imaging

    NASA Astrophysics Data System (ADS)

    Chang, Cheng; Xu, Wei; Chen-Wiegart, Yu-chen Karen; Wang, Jun; Yu, Dantong

    2013-12-01

    X-ray Absorption Near Edge Structure (XANES) imaging, an advanced absorption spectroscopy technique, at the Transmission X-ray Microscopy (TXM) Beamline X8C of NSLS enables high-resolution chemical mapping (a.k.a. chemical composition identification or chemical spectra fitting). Two-Dimensional (2D) chemical mapping has been successfully applied to study many functional materials to decide the percentages of chemical components at each pixel position of the material images. In chemical mapping, the attenuation coefficient spectrum of the material (sample) can be fitted with the weighted sum of standard spectra of individual chemical compositions, where the weights are the percentages to be calculated. In this paper, we first implemented and compared two fitting approaches: (i) a brute force enumeration method, and (ii) a constrained least square minimization algorithm proposed by us. Next, as 2D spectra fitting can be conducted pixel by pixel, so theoretically, both methods can be implemented in parallel. In order to demonstrate the feasibility of parallel computing in the chemical mapping problem and investigate how much efficiency improvement can be achieved, we used the second approach as an example and implemented a parallel version for a multi-core computer cluster. Finally we used a novel way to visualize the calculated chemical compositions, by which domain scientists could grasp the percentage difference easily without looking into the real data.

  20. Assessing and improving cross-border chemical incident preparedness and response across Europe.

    PubMed

    Stewart-Evans, James; Hall, Lisbeth; Czerczak, Slawomir; Manley, Kevin; Dobney, Alec; Hoffer, Sally; Pałaszewska-Tkacz, Anna; Jankowska, Agnieszka

    2014-11-01

    Good practices in emergency preparedness and response for chemical incidents include practices specific to the different functions of exposure assessment (e.g., within the monitoring function, the use of mobile monitoring equipment; within the modelling function, the use of rapid dispersion models with integrated mapping software) and generic practices to engage incident response stakeholders to maximise exposure assessment capabilities (e.g., sharing protocols and pre-prepared information and multi-agency training and exercising). Such practices can optimise cross-border collaboration. A wide range of practices have been implemented across MSs during chemical incident response, particularly during incidents that have cross-border and trans-boundary impacts. This paper proposes a self-assessment methodology to enable MSs, or organisations within MSs, to examine exposure assessment capabilities and communication pathways between exposure assessors and public health risk assessors. Where gaps exist, this methodology provides links to good practices that could improve response, communication and collaboration across local, regional and national borders. A fragmented approach to emergency preparedness for chemical incidents is a major obstacle to improving cross-border exposure assessment. There is no one existing body or structure responsible for all aspects of chemical incident preparedness and response in the European Union. Due to the range of different organisations and networks involved in chemical incident response, emergency preparedness needs to be drawn together. A number of recommendations are proposed, including the use of networks of experts which link public health risk assessors with experts in exposure assessment, in order to coordinate and improve chemical incident emergency preparedness. The EU's recent Decision on serious cross-border threats to health aims to facilitate MSs' compliance with the International Health Regulations, which require

  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. Method of manipulating the chemical properties of water to improve the effectiveness of a desired chemical process

    DOEpatents

    Hawthorne, Steven B.; Miller, David J.; Yang, Yu; Lagadec, Arnaud Jean-Marie

    1999-01-01

    The method of the present invention is adapted to manipulate the chemical properties of water in order to improve the effectiveness of a desired chemical process. The method involves heating the water in the vessel to subcritical temperatures between 100.degree. to 374.degree. C. while maintaining sufficient pressure to the water to maintain the water in the liquid state. Various physiochemical properties of the water can be manipulated including polarity, solute solubility, surface tension, viscosity, and the disassociation constant. The method of the present invention has various uses including extracting organics from solids and semisolids such as soil, selectively extracting desired organics from nonaqueous liquids, selectively separating organics using sorbent phases, enhancing reactions by controlling the disassociation constant of water, cleaning waste water, and removing organics from water using activated carbon or other suitable sorbents.

  3. 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.

  4. 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.

  5. An integrated decision model for the application of airborne sensors for improved response to accidental and terrorist chemical vapor releases

    NASA Astrophysics Data System (ADS)

    Kapitan, Loginn

    This research created a new model which provides an integrated approach to planning the effective selection and employment of airborne sensor systems in response to accidental or intentional chemical vapor releases. The approach taken was to use systems engineering and decision analysis methods to construct a model architecture which produced a modular structure for integrating both new and existing components into a logical procedure to assess the application of airborne sensor systems to address chemical vapor hazards. The resulting integrated process model includes an internal aggregation model which allowed differentiation among alternative airborne sensor systems. Both models were developed and validated by experts and demonstrated using appropriate hazardous chemical release scenarios. The resultant prototype integrated process model or system fills a current gap in capability allowing improved planning, training and exercise for HAZMAT teams and first responders when considering the selection and employment of airborne sensor systems. Through the research process, insights into the current response structure and how current airborne capability may be most effectively used were generated. Furthermore, the resultant prototype system is tailorable for local, state, and federal application, and can potentially be modified to help evaluate investments in new airborne sensor technology and systems. Better planning, training and preparedness exercising holds the prospect for the effective application of airborne assets for improved response to large scale chemical release incidents. Improved response will result in fewer casualties and lives lost, reduced economic impact, and increased protection of critical infrastructure when faced with accidental and intentional terrorist release of hazardous industrial chemicals. With the prospect of more airborne sensor systems becoming available, this prototype system integrates existing and new tools into an effective

  6. 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.

  7. 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

  8. 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

  9. 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.

  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. 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...

  13. 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 ...

  14. 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.

  15. A chemically reactive spinning dope for significant improvements in wet spun carbon nanotube fibres.

    PubMed

    González-Domínguez, Jose M; Neri, Wilfrid; Maugey, Maryse; Poulin, Philippe; Ansón-Casaos, Alejandro; Martínez, M Teresa

    2013-05-11

    Single-walled carbon nanotubes can be spun in a polyvinyl alcohol stream to produce nanocomposite fibres. We use a facile ester linking between both elements to create improved fibres which exhibit outstanding enhancements in the absence of post-processing stages, providing a promising alternative based on a chemical method. PMID:23471091

  16. The Use of the Software MATLAB To Improve Chemical Engineering Education.

    ERIC Educational Resources Information Center

    Damatto, T.; Maegava, L. M.; Filho, R. Maciel

    In all the Brazilian Universities involved with the project "Prodenge-Reenge", the main objective is to improve teaching and learning procedures for the engineering disciplines. The Chemical Engineering College of Campinas State University focused its effort on the use of engineering softwares. The work developed by this project has allowed all…

  17. IMPROVED SCORING OF CHEMICAL TRANSFORMATION OF C3H/10T1/2 CELLS

    EPA Science Inventory

    This research program was undertaken to improve the scoring of the transformation by chemical carcinogens of C3H/10T1/2 mouse embryo fibroblasts. (1) A probabilistic view of transformed focus formation in these cells induced by methylcholanthrene (MCA) treatment has been formulat...

  18. Improved ADM1 model for anaerobic digestion process considering physico-chemical reactions.

    PubMed

    Zhang, Yang; Piccard, Sarah; Zhou, Wen

    2015-11-01

    The "Anaerobic Digestion Model No. 1" (ADM1) was modified in the study by improving the bio-chemical framework and integrating a more detailed physico-chemical framework. Inorganic carbon and nitrogen balance terms were introduced to resolve the discrepancies in the original bio-chemical framework between the carbon and nitrogen contents in the degraders and substrates. More inorganic components and solids precipitation processes were included in the physico-chemical framework of ADM1. The modified ADM1 was validated with the experimental data and used to investigate the effects of calcium ions, magnesium ions, inorganic phosphorus and inorganic nitrogen on anaerobic digestion in batch reactor. It was found that the entire anaerobic digestion process might exist an optimal initial concentration of inorganic nitrogen for methane gas production in the presence of calcium ions, magnesium ions and inorganic phosphorus. PMID:26253912

  19. 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.

  20. 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.

  1. Productivity improvement through cycle time analysis

    NASA Astrophysics Data System (ADS)

    Bonal, Javier; Rios, Luis; Ortega, Carlos; Aparicio, Santiago; Fernandez, Manuel; Rosendo, Maria; Sanchez, Alejandro; Malvar, Sergio

    1996-09-01

    A cycle time (CT) reduction methodology has been developed in the Lucent Technology facility (former AT&T) in Madrid, Spain. It is based on a comparison of the contribution of each process step in each technology with a target generated by a cycle time model. These targeted cycle times are obtained using capacity data of the machines processing those steps, queuing theory and theory of constrains (TOC) principles (buffers to protect bottleneck and low cycle time/inventory everywhere else). Overall efficiency equipment (OEE) like analysis is done in the machine groups with major differences between their target cycle time and real values. Comparisons between the current value of the parameters that command their capacity (process times, availability, idles, reworks, etc.) and the engineering standards are done to detect the cause of exceeding their contribution to the cycle time. Several friendly and graphical tools have been developed to track and analyze those capacity parameters. Specially important have showed to be two tools: ASAP (analysis of scheduling, arrivals and performance) and performer which analyzes interrelation problems among machines procedures and direct labor. The performer is designed for a detailed and daily analysis of an isolate machine. The extensive use of this tool by the whole labor force has demonstrated impressive results in the elimination of multiple small inefficiencies with a direct positive implications on OEE. As for ASAP, it shows the lot in process/queue for different machines at the same time. ASAP is a powerful tool to analyze the product flow management and the assigned capacity for interdependent operations like the cleaning and the oxidation/diffusion. Additional tools have been developed to track, analyze and improve the process times and the availability.

  2. Improved detection and false alarm rejection for chemical vapors using passive hyperspectral imaging

    NASA Astrophysics Data System (ADS)

    Marinelli, William J.; Miyashiro, Rex; Gittins, Christopher M.; Konno, Daisei; Chang, Shing; Farr, Matt; Perkins, Brad

    2013-05-01

    Two AIRIS sensors were tested at Dugway Proving Grounds against chemical agent vapor simulants. The primary objectives of the test were to: 1) assess performance of algorithm improvements designed to reduce false alarm rates with a special emphasis on solar effects, and 3) evaluate performance in target detection at 5 km. The tests included 66 total releases comprising alternating 120 kg glacial acetic acid (GAA) and 60 kg triethyl phosphate (TEP) events. The AIRIS sensors had common algorithms, detection thresholds, and sensor parameters. The sensors used the target set defined for the Joint Service Lightweight Chemical Agent Detector (JSLSCAD) with TEP substituted for GA and GAA substituted for VX. They were exercised at two sites located at either 3 km or 5 km from the release point. Data from the tests will be presented showing that: 1) excellent detection capability was obtained at both ranges with significantly shorter alarm times at 5 km, 2) inter-sensor comparison revealed very comparable performance, 3) false alarm rates < 1 incident per 10 hours running time over 143 hours of sensor operations were achieved, 4) algorithm improvements eliminated both solar and cloud false alarms. The algorithms enabling the improved false alarm rejection will be discussed. The sensor technology has recently been extended to address the problem of detection of liquid and solid chemical agents and toxic industrial chemical on surfaces. The phenomenology and applicability of passive infrared hyperspectral imaging to this problem will be discussed and demonstrated.

  3. Improved methods for analysis and biological characterization of fiber.

    PubMed

    Jeraci, J L; Van Soest, P J

    1990-01-01

    Dietary fibers are not uniform, chemically or in their nutritive and biological properties, the only common ground being their resistance to mammalian digestive enzymes. The AOAC method for total fiber is subject to inferences from ash, protein, tannins and resistant starches. These interferences can be reduced by urea enzymatic dialysis. The measurement of soluble and insoluble fiber is nutritionally relevant, since physical properties greatly modify dietary effects of fiber. Insoluble fiber is conveniently measured as neutral-detergent fiber. This procedure has been improved by reducing the starch interference and the time of analysis. Physical and biological properties of dietary fiber can be measured by using relevant procedures for hydration capacity, metal ion exchange capacity and rate of fermentation. The lignin and tannin content modify the characteristics of dietary fiber. PMID:1706559

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Improving ruminal degradability and energetic values of bamboo shoot shell using chemical treatments.

    PubMed

    Zhao, Liping; Ren, Liping; Zhou, Zhenming; Meng, Qingxiang; Huo, Yunlong; Wang, Fei

    2016-07-01

    This study evaluated effects of different treatments on nutritive value of bamboo shoot shell (BSS). Five treatments were sun-drying (control), ammoniation (5%/dry matter (DM) urea), Ca(OH)2 (4%/DM calcium hydroxide), NaOH (4%/DM sodium hydroxide), and AHP (4%/DM sodium hydroxide plus 1%/DM hydrogen peroxide). The results showed that chemical composition of BSS was greatly changed by chemicals (P < 0.01) except acid-detergent lignin. All chemical treatments significantly reduced neutral detergent fiber (NDF) content except AHP (P < 0.01), and obviously increased acid detergent fiber (ADF) content (P < 0.01) except ammoniation. The predicted organic matter digestibility, metabolizable energy and net energy for lactation of BSS were greatly increased by chemical treatments (P < 0.01), the highest for ammoniation, followed by Ca(OH)2 , NaOH and AHP. Ammoniation had higher (P = 0.03) ammonia-N concentration than the other four treatments. There were significant differences among all treatments on total volatile fatty acids (P = 0.03), propionate (P = 0.01), butyrate concentration (P < 0.01) and C2 /C3 ratio (P = 0.02). Chemical treatments greatly improved effective degradability (ED) of DM (P < 0.01) and ED of NDF (P = 0.06) and ADF (P = 0.07) numerically. Ammoniation got a higher ED of crude protein than control. In conclusion, all chemical treatments greatly improved nutritive value of BSS with highest value obtained from ammoniation, followed by strong alkalization, alkaline hydrogen peroxide and modest alkalization. PMID:26953064

  13. 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

  14. 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

  15. Chemically glycosylation improves the stability of an amperometric horseradish peroxidase biosensor

    PubMed Central

    Hernández-Cancel, Griselle; Suazo-Dávila, Damaris; Medina-Guzmán, Johnsue; Rosado-González, María; Díaz-Vázquez, Liz M.; Griebenow, Kai

    2014-01-01

    We constructed a biosensor by electrodeposition of gold nano-particles (AuNPs) on glassy carbon (GC) and subsequent formation of a 4-mercaptobenzoic acid self-assembled monolayer (SAM). The enzyme horseradish peroxidase (HRP) was then covalently immobilized onto the SAM. Two forms of HRP were employed: non-modified and chemically glycosylated with lactose. Circular dichroism (CD) spectra showed that chemical glycosylation did neither change the tertiary structure of HRP nor the heme environment. The highest sensitivity of the biosensor to hydroquinone was obtained for the biosensor with HRP-lactose 1 (414 nA μM−1 ) compared to 378 nA μM−1 for the one employing non-modified HRP. The chemically glycosylated form of the enzyme catalyzed the reduction of hydroquinone more rapidly than the native form of the enzyme. The sensor employing lactose-modified HRP also had a lower limit of detection (74 μM) than the HRP biosensor (83 μM). However, most importantly, chemically glycosylation improved the long-term stability of the biosensor, which retained 60% of its activity over a four-month storage period compared to only 10% for HRP. These results highlight improvements by an innovative stabilization method when compared to previously reported enzyme-based biosensors. PMID:25479876

  16. 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.

  17. 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

  18. An Improved Chemical Resistance and Mechanical Durability of Hydrophobic FDTS Coatings

    NASA Astrophysics Data System (ADS)

    Kobrin, B.; Zhang, T.; Grimes, M. T.; Chong, K.; Wanebo, M.; Chinn, J.; Nowak, R.

    2006-04-01

    Chemical and mechanical stability of FDTS (perfluorodecyltrichlorosilane) hydrophobic coatings was improved by using an oxide adhesion layer followed by an in-situ vapour deposition of the FDTS self-aligned monolayer. The use of silicon oxide base layer improves stability of the FDTS film and degradation of its hydrophobic properties resulting from a continuous immersion in water and other liquids. We ascribe the improved stability of the FDTS films grown on oxide to high density and uniformity of the surface hydroxyl groups required for FDTS attachment and the resulting high quality of the FDTS monolayer. This approach shows film property improvement over traditional substrates such as silicon and aluminium but may also be particularly useful in biochemistry and micro fluidics when films are deposited on substrates with lower density of the surface hydroxyl groups.

  19. PCS Nitrogen: Combustion Fan System Optimization Improves Performance and Saves Energy at a Chemical Plant

    SciTech Connect

    Not Available

    2005-01-01

    This U.S. Department of Energy Industrial Technologies Program case study describes how, in 2003, PCS Nitrogen, Inc., improved the efficiency of the combustion fan on a boiler at the company's chemical fertilizer plant in Augusta, Georgia. The project saved $420,000 and 76,400 million British thermal units (MBtu) per year. In addition, maintenance needs declined, because there is now less stress on the fan motor and bearings and less boiler feed water usage. This project was so successful that the company has implemented more efficiency improvements that should result in energy cost savings of nearly $1 million per year.

  20. 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

  1. 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

  2. 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

  3. 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.

  4. 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

  5. The influence of bonding agents in improving interactions in composite propellants determined using image analysis.

    PubMed

    Dostanić, J; Husović, T V; Usćumlić, G; Heinemann, R J; Mijin, D

    2008-12-01

    Binder-oxidizer interactions in rocket composite propellants can be improved using adequate bonding agents. In the present work, the effectiveness of different 1,3,5-trisubstituted isocyanurates was determined by stereo and metallographic microscopy and using the software package Image-Pro Plus. The chemical analysis of samples was performed by a scanning electron microscope equipped for energy dispersive spectrometry. PMID:19094035

  6. DEVELOPMENT OF AN IMPROVED SIMULATOR FOR CHEMICAL AND MICROBIAL IOR METHODS

    SciTech Connect

    Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

    2001-10-01

    This is the final report of a three-year research project on further development of a chemical and microbial improved oil recovery reservoir simulator. The objective of this research was to extend the capability of an existing simulator (UTCHEM) to improved oil recovery methods which use surfactants, polymers, gels, alkaline chemicals, microorganisms and foam as well as various combinations of these in both conventional and naturally fractured oil reservoirs. The first task was the addition of a dual-porosity model for chemical IOR in naturally fractured oil reservoirs. They formulated and implemented a multiphase, multicomponent dual porosity model for enhanced oil recovery from naturally fractured reservoirs. The multiphase dual porosity model was tested against analytical solutions, coreflood data, and commercial simulators. The second task was the addition of a foam model. They implemented a semi-empirical surfactant/foam model in UTCHEM and validated the foam model by comparison with published laboratory data. The third task addressed several numerical and coding enhancements that will greatly improve its versatility and performance. Major enhancements were made in UTCHEM output files and memory management. A graphical user interface to set up the simulation input and to process the output data on a Windows PC was developed. New solvers for solving the pressure equation and geochemical system of equations were implemented and tested. A corner point grid geometry option for gridding complex reservoirs was implemented and tested. Enhancements of physical property models for both chemical and microbial IOR simulations were included in the final task of this proposal. Additional options for calculating the physical properties such as relative permeability and capillary pressure were added. A microbiological population model was developed and incorporated into UTCHEM. They have applied the model to microbial enhanced oil recovery (MEOR) processes by including the

  7. 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.

  8. 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

  9. SINFAC - SYSTEMS IMPROVED NUMERICAL FLUIDS ANALYSIS CODE

    NASA Technical Reports Server (NTRS)

    Costello, F. A.

    1994-01-01

    The Systems Improved Numerical Fluids Analysis Code, SINFAC, consists of additional routines added to the April 1983 revision of SINDA, a general thermal analyzer program. The purpose of the additional routines is to allow for the modeling of active heat transfer loops. The modeler can simulate the steady-state and pseudo-transient operations of 16 different heat transfer loop components including radiators, evaporators, condensers, mechanical pumps, reservoirs and many types of valves and fittings. In addition, the program contains a property analysis routine that can be used to compute the thermodynamic properties of 20 different refrigerants. SINFAC can simulate the response to transient boundary conditions. SINFAC was first developed as a method for computing the steady-state performance of two phase systems. It was then modified using CNFRWD, SINDA's explicit time-integration scheme, to accommodate transient thermal models. However, SINFAC cannot simulate pressure drops due to time-dependent fluid acceleration, transient boil-out, or transient fill-up, except in the accumulator. SINFAC also requires the user to be familiar with SINDA. The solution procedure used by SINFAC is similar to that which an engineer would use to solve a system manually. The solution to a system requires the determination of all of the outlet conditions of each component such as the flow rate, pressure, and enthalpy. To obtain these values, the user first estimates the inlet conditions to the first component of the system, then computes the outlet conditions from the data supplied by the manufacturer of the first component. The user then estimates the temperature at the outlet of the third component and computes the corresponding flow resistance of the second component. With the flow resistance of the second component, the user computes the conditions down stream, namely the inlet conditions of the third. The computations follow for the rest of the system, back to the first component

  10. 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

  11. 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...

  12. Improved chemical text mining of patents with infinite dictionaries and automatic spelling correction.

    PubMed

    Sayle, Roger; Xie, Paul Hongxing; Muresan, Sorel

    2012-01-23

    The text mining of patents of pharmaceutical interest poses a number of unique challenges not encountered in other fields of text mining. Unlike fields, such as bioinformatics, where the number of terms of interest is enumerable and essentially static, systematic chemical nomenclature can describe an infinite number of molecules. Hence, the dictionary- and ontology-based techniques that are commonly used for gene names, diseases, species, etc., have limited utility when searching for novel therapeutic compounds in patents. Additionally, the length and the composition of IUPAC-like names make them more susceptible to typographic problems: OCR failures, human spelling errors, and hyphenation and line breaking issues. This work describes a novel technique, called CaffeineFix, designed to efficiently identify chemical names in free text, even in the presence of typographical errors. Corrected chemical names are generated as input for name-to-structure software. This forms a preprocessing pass, independent of the name-to-structure software used, and is shown to greatly improve the results of chemical text mining in our study. PMID:22148717

  13. 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.

  14. 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).

  15. 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.

  16. 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.

  17. 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)

  18. Improving Public Perception of Behavior Analysis.

    PubMed

    Freedman, David H

    2016-05-01

    The potential impact of behavior analysis is limited by the public's dim awareness of the field. The mass media rarely cover behavior analysis, other than to echo inaccurate negative stereotypes about control and punishment. The media instead play up appealing but less-evidence-based approaches to problems, a key example being the touting of dubious diets over behavioral approaches to losing excess weight. These sorts of claims distort or skirt scientific evidence, undercutting the fidelity of behavior analysis to scientific rigor. Strategies for better connecting behavior analysis with the public might include reframing the field's techniques and principles in friendlier, more resonant form; pushing direct outcome comparisons between behavior analysis and its rivals in simple terms; and playing up the "warm and fuzzy" side of behavior analysis. PMID:27606184

  19. 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.

  20. Broadening Our Portfolio in the Genetic Improvement of Maize Chemical Composition.

    PubMed

    Wen, Weiwei; Brotman, Yariv; Willmitzer, Lothar; Yan, Jianbing; Fernie, Alisdair R

    2016-08-01

    The adoption of recombinant inbred line and introgression line populations, as well as the study of association mapping panels, has greatly accelerated our ability to identify the genes underlying plant phenotypic variance. In tandem, the development of metabolomics approaches has greatly enhanced our ability to comprehensively define cellular chemical composition. As a consequence, breeding for chemical composition is being extended beyond our traditional targets of oil and protein to include components such as essential amino acids, vitamins, and antioxidant secondary metabolites with considerable purported consequences for human health. Here, we review the above-mentioned developments paying particular attention to the genetic architecture of metabolic traits as well as updating the perspective for utilizing metabolomics in maize improvement. PMID:27235112

  1. Chemical modification approaches for improved performance of Na-ion battery electrodes

    NASA Astrophysics Data System (ADS)

    Byles, Bryan; Clites, Mallory; Pomerantseva, Ekaterina

    2015-08-01

    Na-ion batteries have received considerable attention in recent years but still face performance challenges such as limited cycle lifetime and low capacities at high current rates. In this work, we propose novel combinations of preand post-synthesis treatments to modify known Na-ion battery electrode materials to achieve enhanced electrochemical performance. We work with two model metal oxide materials to demonstrate the effectiveness of the different treatments. First, wet chemical preintercalation is combined with post-synthesis aging, hydrothermal treatment, and annealing of α-V2O5, resulting in enhanced capacity retention in a Na-ion battery system. The hydrothermal treatment resulted in an increased specific capacity of nearly 300 mAh/g. Second, post-synthesis acid leaching is performed on α- MnO2, also resulting in improved electrochemical capacity. The chemical, structural, and morphological changes brought about by the modifications are fully characterized.

  2. Chemical techniques for pretreating and regenerating active slag filters for improved phosphorus removal.

    PubMed

    Pratt, C; Shilton, A; Haverkamp, R G; Pratt, S

    2011-07-01

    Active slag filters are an emerging technology for removing phosphorus (P) from wastewaters. Recent research revealed that adsorption onto Fe oxides/oxyhydroxides at near-neutral pH and oxidizing Eh is the key mechanism of P removal by melter slag filters. Currently, filter lifespan is limited by available adsorption sites. This study examined whether the performance and longevity of active filters could be improved via chemical treatment to create additional reactive sites as well as regenerate exhausted ones. Fresh original melter slag as well as slag from an exhausted full-scale filter was tested. Chemical reagents that could manipulate the pH/Eh of the slag granule surfaces and potentially activate them for further P removal were used, namely hydrochloric acid (HCI), sodium hydroxide (NaOH) and sodium dithionite (Na2S2O4). Waste stabilization pond effluent was then applied to the treated slag to assess the effectiveness of the treatments at improving P removal. Fresh slag treated with Na2S204 and HCl, respectively, retained 1.9 and 1.4 times more P from the effluent than the untreated fresh slag. These reagents were even more effective at regenerating the exhausted slag, increasing total retained P by a factor of 13 and six, respectively, compared with untreated slag. Sodium hydroxide was ineffective at increasing P removal. The higher P retention by the 'treated exhausted slag' compared with the 'treated fresh media' indicates that adsorption sites on melter slag filters become increasingly reactive with time. This research is the first study to provide evidence that P retention by active slag filters can be increased by both (1) chemical pre treatment and (2) chemical post-treatment once their P removal is exhausted, thereby potentially transforming them from a single use system to a more viable, reusable treatment technology. PMID:21882558

  3. An alpha particle experiment for chemical analysis of the Martian surface and atmosphere.

    NASA Technical Reports Server (NTRS)

    Economou, T. E.; Turkevich, A. L.; Patterson, J. H.

    1973-01-01

    An alpha particle experiment similar to the one performed successfully on the Surveyor lunar missions is described. It is designed to provide a chemical analysis of the Martian surface and atmosphere. Analyses of rocks of known and unknown compositions have been made under simulated Martian conditions. The accuracies attained are generally comparable to those of the Surveyor lunar analyses. Improvements have been achieved in determining carbon and oxygen, so that a few per cent of water or carbonates in rocks can be detected. Some aspects of the integration of such an experiment with the spacecraft, a possible mission profile, and some other problems associated with a soft-landing mission to Mars are discussed. The importance of such a chemical analysis experiment in answering current questions about the nature and history of Martian surface material and its suitability for life processes is presented.

  4. THz-Raman: accessing molecular structure with Raman spectroscopy for enhanced chemical identification, analysis, and monitoring

    NASA Astrophysics Data System (ADS)

    Heyler, Randy A.; Carriere, James T. A.; Havermeyer, Frank

    2013-05-01

    Structural analysis via spectroscopic measurement of rotational and vibrational modes is of increasing interest for many applications, since these spectra can reveal unique and important structural and behavioral information about a wide range of materials. However these modes correspond to very low frequency (~5cm-1 - 200cm-1, or 150 GHz-6 THz) emissions, which have been traditionally difficult and/or expensive to access through conventional Raman and Terahertz spectroscopy techniques. We report on a new, inexpensive, and highly efficient approach to gathering ultra-low-frequency Stokes and anti-Stokes Raman spectra (referred to as "THz-Raman") on a broad range of materials, opening potential new applications and analytical tools for chemical and trace detection, identification, and forensics analysis. Results are presented on explosives, pharmaceuticals, and common elements that show strong THz-Raman spectra, leading to clear discrimination of polymorphs, and improved sensitivity and reliability for chemical identification.

  5. Chemical surface modification of poly-ε-caprolactone improves Schwann cell proliferation for peripheral nerve repair.

    PubMed

    de Luca, Alba C; Terenghi, Giorgio; Downes, Sandra

    2014-02-01

    Poly-ε-caprolactone (PCL) is a biodegradable and biocompatible polymer used in tissue engineering for various clinical applications. Schwann cells (SCs) play an important role in nerve regeneration and repair. SCs attach and proliferate on PCL films but cellular responses are weak due to the hydrophobicity and neutrality of PCL. In this study, PCL films were hydrolysed and aminolysed to modify the surface with different functional groups and improve hydrophilicity. Hydrolysed films showed a significant increase in hydrophilicity while maintaining surface topography. A significant decrease in mechanical properties was also observed in the case of aminolysis. In vitro tests with Schwann cells (SCs) were performed to assess film biocompatibility. A short-time experiment showed improved cell attachment on modified films, in particular when amino groups were present on the material surface. Cell proliferation significantly increased when both treatments were performed, indicating that surface treatments are necessary for SC response. It was also demonstrated that cell morphology was influenced by physico-chemical surface properties. PCL can be used to make artificial conduits and chemical modification of the inner lumen improves biocompatibility. PMID:22508573

  6. 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

  7. 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.

  8. 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

  9. Improvement of uniformity in chemical vapor deposition of silicon carbide by using CFD

    NASA Astrophysics Data System (ADS)

    Seo, Jin-Won; Kim, Jun-Woo; Choi, Kyoon; Lee, Jong-Heun

    2016-01-01

    The chemical vapor deposition (CVD) of silicon carbide (SiC) on carbon has been widely used as a general method to suppress dust generation on carbon surfaces. For a CH3SiCl3 (MTS) and hydrogen system, computational fluid dynamic simulations to predict the growth rate of the silicon carbide are performed. The results of the simulations are consistent with the experimental results where the deposition rate depends highly on the H/Si composition and the specimen's location. This simulation can provide guidance in optimizing the CVD process and improving the apparatus for CVD of SiC.

  10. Improvement of the narrowband linear predictive coder. Part 1: Analysis improvements

    NASA Astrophysics Data System (ADS)

    Kang, G. S.; Everett, S. S.

    1982-12-01

    The narrowband linear predictive coder (LPC) is widely used in both civilian and military applications. Yet, in spite of the many improvements over the years, it is still not universally acceptable to general users. This report presents improvements to five aspects of the LPC analysis which have drawn little attention in the past. These improvements are frequency spreading of sibilant sound spectra, adaptive placement of the analysis window at onsets, modified LPC analysis for sustained vowels, enhancement of LPC spectra in noise, and an automatic gain control. These improvements may be incorporated in the existing narrowband LPC without interfering with the speech sampling rate, the frame rate, or the parameter coding.

  11. Combined Micro-chemical and Micro-structural Analysis of New Minerals Representing Extreme Conditions

    NASA Astrophysics Data System (ADS)

    Ma, C.; Tschauner, O. D.

    2015-12-01

    Recent improvements in micro-chemical analysis in combination with novel tools for micrometer-scale structural analysis of minerals from synchrotron X-ray diffraction open a pathway towards studies of mineral paragenesis that were previously not or barely accessible. Often mineral assemblies that represent extreme conditions also pose extreme challenges to analysis: very small size scale, complex matrix, minor amounts of material. Examples of such extreme, but also quite relevant environments are: a) High pressure shock-metamorphic minerals in meteorites and terrestrial impact sites, b) inclusions in diamonds from the deep mantle, c) ultrarefractory phases in Ca-Al-inlcusions from the solar nebula, d) presolar condensates. We show how a combination of synchrotron-based structural and semi-quantitative chemical techniques, with electron-microscopy based high-resolution imaging and fully quantitative chemical analysis and qualitative structural identification establish a powerful tool for discovery and characterization of important and interesting new minerals on micron- to submicron size scale.

  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. 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

  14. Improved actuation strain of PDMS-based DEA materials chemically modified with softening agents

    NASA Astrophysics Data System (ADS)

    Biedermann, Miriam; Blümke, Martin; Wegener, Michael; Krüger, Hartmut

    2015-04-01

    Dielectric elastomer actuators (DEAs) are smart materials that gained much in interest particularly in recent years. One active field of research is the improvement of their properties by modification of their structural framework. The object of this work is to improve the actuation properties of polydimethylsiloxane (PDMS)-based DEAs by covalent incorporation of mono-vinyl-terminated low-molecular PDMS chains into the PDMS network. These low-molecular units act as a kind of softener within the PDMS network. The loose chain ends interfere with the network formation and lower the network's density. PDMS films with up to 50wt% of low-molecular PDMS additives were manufactured and the chemical, mechanical, electrical, and electromechanical properties of these novel materials were investigated.

  15. An improved design of TRISO particle with porous SiC inner layer by fluidized bed-chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Liu, Rongzheng; Liu, Malin; Chang, Jiaxing; Shao, Youlin; Liu, Bing

    2015-12-01

    Tristructural-isotropic (TRISO) particle has been successful in high temperature gas cooled reactor (HTGR), but an improved design is required for future development. In this paper, the coating layers are reconsidered, and an improved design of TRISO particle with porous SiC inner layer is proposed. Three methods of preparing the porous SiC layer, called high methyltrichlorosilane (MTS) concentration method, high Ar concentration method and hexamethyldisilane (HMDS) method, are experimentally studied. It is indicated that porous SiC layer can be successfully prepared and the density of SiC layer can be adjusted by tuning the preparation parameters. Microstructure and characterization of the improved TRISO coated particle are given based on scanning electron microscope (SEM), X-ray diffraction (XRD), Raman scattering and energy dispersive X-ray (EDX) analysis. It can be found that the improved TRISO coated particle with porous SiC layer can be mass produced successfully. The formation mechanisms of porous SiC layer are also discussed based on the fluidized bed-chemical vapor deposition principle.

  16. Decision Theoretic Analysis of Improving Epidemic Detection

    PubMed Central

    Izadi, Masoumeh T.; Buckeridge, David L.

    2007-01-01

    The potentially catastrophic impact of an epidemic specially those due to bioterrorist attack, makes developing effective detection methods essential for public health. Current detection methods trade off reliability of alarms for early detection of outbreaks. The performance of these methods can be improved by disease-specific modeling techniques that take into account the potential costs and effects of an attack to provide optimal warnings and the cost and effectiveness of interventions. We study this optimization problem in the framework of sequential decision making under uncertainty. Our approach relies on estimating the future benefit of true alarms and the costs of false alarms. Using these quantities it identifies optimal decisions regarding the credibility of outputs from a traditional detection method at each point in time. The key contribution of this paper is to apply Partially Observable Markov Decision Processes (POMDPs) on outbreak detection methods for improving alarm function in the case of anthrax. We present empirical evidence illustrating that at a fixed specificity, the performance of detection methods with respect to sensitivity and timeliness is improved significantly by utilizing POMDPs in detection of anthrax attacks. PMID:18693857

  17. Improved WKB analysis of cosmological perturbations

    SciTech Connect

    Casadio, Roberto; Luzzi, Mattia; Venturi, Giovanni; Finelli, Fabio

    2005-02-15

    Improved Wentzel-Kramers-Brillouin (WKB)-type approximations are presented in order to study cosmological perturbations beyond the lowest order. Our methods are based on functions which approximate the true perturbation modes over the complete range of the independent (Langer) variable, from subhorizon to superhorizon scales, and include the region near the turning point. We employ both a perturbative Green's function technique and an adiabatic (or semiclassical) expansion (for a linear turning point) in order to compute higher order corrections. Improved general expressions for the WKB scalar and tensor power spectra are derived for both techniques. We test our methods on the benchmark of power-law inflation, which allows comparison with exact expressions for the perturbations, and find that the next-to-leading order adiabatic expansion yields the amplitude of the power spectra with excellent accuracy, whereas the next-to-leading order with the perturbative Green's function method does not improve the leading order result significantly. However, in more general cases, either or both methods may be useful.

  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. Improving chemical entity recognition through h-index based semantic similarity

    PubMed Central

    2015-01-01

    Background Our approach to the BioCreative IV challenge of recognition and classification of drug names (CHEMDNER task) aimed at achieving high levels of precision by applying semantic similarity validation techniques to Chemical Entities of Biological Interest (ChEBI) mappings. Our assumption is that the chemical entities mentioned in the same fragment of text should share some semantic relation. This validation method was further improved by adapting the semantic similarity measure to take into account the h-index of each ancestor. We applied this method in two measures, simUI and simGIC, and validated the results obtained for the competition, comparing each adapted measure to its original version. Results For the competition, we trained a Random Forest classifier that uses various scores provided by our system, including semantic similarity, which improved the F-measure obtained with the Conditional Random Fields classifiers by 4.6%. Using a notion of concept relevance based on the h-index measure, we were able to enhance our validation process so that for a fixed recall, we increased precision by excluding from the results a higher amount of false positives. We plotted precision and recall values for a range of validation thresholds using different similarity measures, obtaining higher precision values for the same recall with the measures based on the h-index. Conclusions The semantic similarity measure we introduced was more efficient at validating text mining results from machine learning classifiers than other measures. We improved the results we obtained for the CHEMDNER task by maintaining high precision values while improving the recall and F-measure. PMID:25810770

  20. An improved chemically inducible gene switch that functions in the monocotyledonous plant sugar cane.

    PubMed

    Kinkema, Mark; Geijskes, R Jason; Shand, Kylie; Coleman, Heather D; De Lucca, Paulo C; Palupe, Anthony; Harrison, Mark D; Jepson, Ian; Dale, James L; Sainz, Manuel B

    2014-03-01

    Chemically inducible gene switches can provide precise control over gene expression, enabling more specific analyses of gene function and expanding the plant biotechnology toolkit beyond traditional constitutive expression systems. The alc gene expression system is one of the most promising chemically inducible gene switches in plants because of its potential in both fundamental research and commercial biotechnology applications. However, there are no published reports demonstrating that this versatile gene switch is functional in transgenic monocotyledonous plants, which include some of the most important agricultural crops. We found that the original alc gene switch was ineffective in the monocotyledonous plant sugar cane, and describe a modified alc system that is functional in this globally significant crop. A promoter consisting of tandem copies of the ethanol receptor inverted repeat binding site, in combination with a minimal promoter sequence, was sufficient to give enhanced sensitivity and significantly higher levels of ethanol inducible gene expression. A longer CaMV 35S minimal promoter than was used in the original alc gene switch also substantially improved ethanol inducibility. Treating the roots with ethanol effectively induced the modified alc system in sugar cane leaves and stem, while an aerial spray was relatively ineffective. The extension of this chemically inducible gene expression system to sugar cane opens the door to new opportunities for basic research and crop biotechnology. PMID:24142380

  1. Summer 2012 Testing and Analysis of the Chemical Mixture Methodology -- Part I

    SciTech Connect

    Glantz, Clifford S.; Yu, Xiao-Ying; Coggin, Rebekah L.; Ponder, Lashaundra A.; Booth, Alexander E.; Petrocchi, Achille J.; Horn, Sarah M.; Yao, Juan

    2012-07-01

    This report presents the key findings made by the Chemical Mixture Methodology (CMM) project team during the first stage of their summer 2012 testing and analysis of the CMM. The study focused on answering the following questions: o What is the percentage of the chemicals in the CMM Rev 27 database associated with each Health Code Number (HCN)? How does this result influence the relative importance of acute HCNs and chronic HCNs in the CMM data set? o What is the benefit of using the HCN-based approach? Which Modes of Action and Target Organ Effects tend to be important in determining the HCN-based Hazard Index (HI) for a chemical mixture? o What are some of the potential issues associated with the current HCN-based approach? What are the opportunities for improving the performance and/or technical defensibility of the HCN-based approach? How would those improvements increase the benefit of using the HCN-based approach? o What is the Target Organ System Effect approach and how can it be used to improve upon the current HCN-based approach? How does the benefits users would derive from using the Target Organ System Approach compare to the benefits available from the current HCN-based approach?

  2. Planning, Conducting, and Documenting Data Analysis for Program Improvement

    ERIC Educational Resources Information Center

    Winer, Abby; Taylor, Cornelia; Derrington, Taletha; Lucas, Anne

    2015-01-01

    This 2015 document was developed to help technical assistance (TA) providers and state staff define and limit the scope of data analysis for program improvement efforts, including the State Systemic Improvement Plan (SSIP); develop a plan for data analysis; document alternative hypotheses and additional analyses as they are generated; and…

  3. Using Transaction Log Analysis To Improve OPAC Retrieval Results.

    ERIC Educational Resources Information Center

    Blecic, Deborah D.; Bangalore, Nirmala S.; Dorsch, Josephine L.; Henderson, Cynthia L.; Koenig, Melissa H.; Weller, Ann C.

    1998-01-01

    An OPAC transaction log analysis at the University of Illinois at Chicago revealed that users had trouble with basic search techniques. After the introductory screens were simplified, a second analysis showed improved search results, indicating that monitoring OPACs can lead to improved information retrieval when changes are made in response to…

  4. 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

  5. Eugenol improves physical and chemical stabilities of nanoemulsions loaded with β-carotene.

    PubMed

    Guan, Yongguang; Wu, Jine; Zhong, Qixin

    2016-03-01

    Food-grade nanoemulsions are potential vehicles of labile lipophilic compounds such as β-carotene, but much work is needed to improve physical and chemical stabilities. The objective of this work was to study impacts of eugenol on physical and chemical stabilities of β-carotene-loaded nanoemulsions prepared with whey protein and lecithin. The combination of whey protein and lecithin resulted in stable nanoemulsions with eugenol added at 10% mass of soybean oil. Nanoemulsions, especially with eugenol, drastically reduced the degradation of β-carotene during ambient storage, heating at 60 and 80°C, and UV radiation at 254, 302, and 365nm. The droplet diameter of the nanoemulsion without eugenol increased from 153.6 to 227.3nm after 30-day ambient storage, contrasting with no significant changes of nanoemulsions with eugenol. Heating or UV radiation up to 8h did not significantly change the droplet diameter. Therefore, eugenol can be used to improve the stability of nanoemulsion delivery systems. PMID:26471619

  6. Analysis of Student Feedback Improves Instructor Effectiveness.

    ERIC Educational Resources Information Center

    McKone, Kathleen E.

    1999-01-01

    Analysis of 342 student evaluations of business-school teachers using structural-equation modeling shows the complex relationship between course input/output and instructor process and product. Recommendations were made for altering course delivery and modifying assessment forms to provide more useful feedback. (SK)

  7. Improving Music Appreciation Class Using Cohort Analysis.

    ERIC Educational Resources Information Center

    Buel, Dona L.; Welch, Samuel C.

    2000-01-01

    Presents a college level music appreciation course that combines cohort analysis, action research methods, and distance learning. Students identify generational cohorts and use research methods to determine the preferred musical forms of the cohort. Describes a "cohort," a music appreciation Web site, the course structure, and benefits of the…

  8. Environmental Chemicals in Urine and Blood: Improving Methods for Creatinine and Lipid Adjustment

    PubMed Central

    O’Brien, Katie M.; Upson, Kristen; Cook, Nancy R.; Weinberg, Clarice R.

    2015-01-01

    Background Investigators measuring exposure biomarkers in urine typically adjust for creatinine to account for dilution-dependent sample variation in urine concentrations. Similarly, it is standard to adjust for serum lipids when measuring lipophilic chemicals in serum. However, there is controversy regarding the best approach, and existing methods may not effectively correct for measurement error. Objectives We compared adjustment methods, including novel approaches, using simulated case–control data. Methods Using a directed acyclic graph framework, we defined six causal scenarios for epidemiologic studies of environmental chemicals measured in urine or serum. The scenarios include variables known to influence creatinine (e.g., age and hydration) or serum lipid levels (e.g., body mass index and recent fat intake). Over a range of true effect sizes, we analyzed each scenario using seven adjustment approaches and estimated the corresponding bias and confidence interval coverage across 1,000 simulated studies. Results For urinary biomarker measurements, our novel method, which incorporates both covariate-adjusted standardization and the inclusion of creatinine as a covariate in the regression model, had low bias and possessed 95% confidence interval coverage of nearly 95% for most simulated scenarios. For serum biomarker measurements, a similar approach involving standardization plus serum lipid level adjustment generally performed well. Conclusions To control measurement error bias caused by variations in serum lipids or by urinary diluteness, we recommend improved methods for standardizing exposure concentrations across individuals. Citation O’Brien KM, Upson K, Cook NR, Weinberg CR. 2016. Environmental chemicals in urine and blood: improving methods for creatinine and lipid adjustment. Environ Health Perspect 124:220–227; http://dx.doi.org/10.1289/ehp.1509693 PMID:26219104

  9. Development of Chemical Analysis Training Programs for Fisheries Technicians Utilizing an Interactive Microcomputer Videotape System. Final Report.

    ERIC Educational Resources Information Center

    Walton, James M.

    A project was conducted to develop a series of interactive microcomputer-controlled videotape training programs in chemical analysis of water quality for the fisheries technician program at Peninsula College (Washington). Improved color video equipment was obtained during the year for development of the training films. Interactive instruction and…

  10. Enhancing the Benefit of the Chemical Mixture Methodology: A Report on Methodology Testing and Potential Approaches for Improving Performance

    SciTech Connect

    Yu, Xiao-Ying; Yao, Juan; He, Hua; Glantz, Clifford S.; Booth, Alexander E.

    2012-01-01

    Extensive testing shows that the current version of the Chemical Mixture Methodology (CMM) is meeting its intended mission to provide conservative estimates of the health effects from exposure to airborne chemical mixtures. However, the current version of the CMM could benefit from several enhancements that are designed to improve its application of Health Code Numbers (HCNs) and employ weighting factors to reduce over conservatism.

  11. 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.

  12. 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.

  13. 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.

  14. Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

    SciTech Connect

    Christensen, Anders S. E-mail: cui@chem.wisc.edu; Cui, Qiang E-mail: cui@chem.wisc.edu; Elstner, Marcus

    2015-08-28

    Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.

  15. Recent improvements in Thomson scattering data analysis

    SciTech Connect

    Tillack, M.S.; Lazarus, E.A.

    1980-04-01

    A new profile analysis package for use with the Thomson scattering data on ISX-B has recently been implemented. The primary feature of this package is a weighted least squares fitting of temperature and density data to generate a representative curve, as opposed to the previous hand-fitting technique. The changes will automate the manner in which data are transmitted and manipulated, without affecting the calculational techniques previously used. The computer programs have also been used to estimate the sensitivity of various plasma quantities to the accuracy of the Thomson scattering data.

  16. Analysis of physical-chemical processes governing SSME internal fluid flows

    NASA Technical Reports Server (NTRS)

    Singhal, A. K.; Owens, S. F.; Mukerjee, T.; Keeton, L. W.; Tam, L. T.

    1984-01-01

    In order to aid the development of current and future SSME type engines, it is necessary to improve the understanding of basic issues related with physical-chemical processes of SSME internal flows. Accomplishments under each of the following specific objectives are described herein: (1) supplying a state-of-the-art CFD code and graphics package; (2) demonstrating code usage on SSME-related problems to NASA MSFC personnel; and (3) performance computations and analysis of problems relevant to current and future SSME's.

  17. Improving solubility and chemical stability of natural compounds for medicinal use by incorporation into liposomes.

    PubMed

    Coimbra, Maria; Isacchi, Benedetta; van Bloois, Louis; Torano, Javier Sastre; Ket, Aldo; Wu, Xiaojie; Broere, Femke; Metselaar, Josbert M; Rijcken, Cristianne J F; Storm, Gert; Bilia, Rita; Schiffelers, Raymond M

    2011-09-20

    Natural bioactive compounds have been studied for a long time for their chemopreventive and therapeutic potential in several chronic inflammatory diseases, including cancer. However, their physicochemical properties generally result in poor chemical stability and lack of in vivo bioavailability. Very few human clinical trials have addressed absorption, distribution, metabolism, and excretion of these compounds in relation to efficacy. This limits the use of these valuable natural compounds in the clinic. In this study, we examined caffeic acid (derivatives), carvacrol (derivatives), thymol, pterostilbene (derivatives), and N-(3-oxo-dodecanoyl)-l-homoserine lactone. These are natural compounds with strong anti-inflammatory properties derived from plants and bacteria. However, these compounds have poor water solubility or are chemically unstable. To overcome these limitations we have prepared liposomal formulations. Our results show that lipophilic 3-oxo-C(12)-homoserine lactone and stilbene derivatives can be loaded into liposomal lipid bilayer with efficiencies of 50-70%. Thereby, the liposomes solubilize these compounds, allowing intravenous administration without use of solvents. When compounds could not be loaded into the lipid bilayer (carvacrol and thymol) or are rapidly extracted from the liposomes in the presence of serum albumin (3-oxo-C(12)-homoserine lactone and pterostilbene derivatives), derivatization of the compound into a water-soluble prodrug was shown to improve loading efficiency and encapsulation stability. The phosphate forms of carvacrol and pterostilbene were loaded into the aqueous interior of the liposomes and encapsulation was unaffected by the presence of serum albumin. Chemical instability of resveratrol was improved by liposome-encapsulation, preventing inactivating cis-trans isomerization. For caffeic acid, liposomal encapsulation did not prevent oxidation into a variety of products. Still, by derivatization into a phenyl ester, the

  18. 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

  19. Failure analysis helps improve heat exchanger designs

    SciTech Connect

    Neel, L.

    1993-08-01

    Industry's usual approach to evaluating the design of heat transfer equipment is to look for failures that have occurred in existing equipment of the same design, try to determine their causes, and then develop design modifications to prevent them from recurring. This is referred to as failure analysis. There is a tendency in industry to overlook successful designs of existing equipment that have operated for many years without major failures. A manufacturer of this type of equipment that also repairs and retubes heat exchangers is in a unique position to analyze and evaluate the deposition to analyze and evaluate the designs used. Data on the condition of individual components and materials used, and operating conditions, types of fluids and specific design features can all be compiled to develop a complete evaluation. In addition, calculations can be made to verify the validity of currently established design parameters from various sources. Utility heat exchangers cover a wide range of equipment, including feedwater heaters, evaporators, condensate coolers, lube oil coolers, turbine oil coolers, air preheaters, generator coolers, service water exchangers and air ejector condensers. The piece of equipment selected to be analyzed is a horizontal three-zone feedwater heater. Four major areas will be covered: tubeside, desuperheating, condensing, and subcooling zones of heat exchangers. The analysis will look at successful designs and the most common failures associated with each area.

  20. Chemically amplified photoresist characterization using interdigitated electrodes: an improved method for determining the Dill C parameter

    NASA Astrophysics Data System (ADS)

    Berger, Cody M.; Henderson, Clifford L.

    2004-05-01

    We have recently developed a technique that utilizes capacitance data from resist coated interdigitated electrodes to measure the kinetic rate constant of photoacid generation (commonly referred to as the Dill C parameter) for photoacid generators in chemically amplified resists. The work presented in this paper focuses on a recently improved version of the IDE Dill C measurement technique. The original version of the technique required coating several IDEs with resist films containing different loadings of photoacid generator and then using the capacitance data from these IDEs to calculate linear mixing relationships between IDE capacitance and the content of PAG or photoproducts within the resist film. The improved version of the technique reported here totally eliminates the need for this "calibration process" through the use of normalized capacitance data. Elimination of the need to measure linear mixing relationships independently for each PAG and polymer combination gives the improved technique many advantages over the prior version. These include improved curve fitting and accuracy of Dill C calculations; fewer raw materials, IDEs, and experimental time; and most importantly, the potential to measure the Dill C for a resist from a single IDE with no prior knowledge of the resist"s photoacid generator type or loading. A detailed derivation of the normalization scheme is presented in this paper, along with evidence of the dramatic improvement in model curve fit that can be achieved using this technique. In addition, Dill C parameters measured for five different photoacid generators with both the original and normalized version of the IDE technique are presented to demonstrate that both techniques measure the same Dill C parameter and hence are describing the same physical phenomena.

  1. 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

  2. Improving analytical methods for protein-protein interaction through implementation of chemically inducible dimerization

    PubMed Central

    Andersen, Tonni Grube; Nintemann, Sebastian J.; Marek, Magdalena; Halkier, Barbara A.; Schulz, Alexander; Burow, Meike

    2016-01-01

    When investigating interactions between two proteins with complementary reporter tags in yeast two-hybrid or split GFP assays, it remains troublesome to discriminate true- from false-negative results and challenging to compare the level of interaction across experiments. This leads to decreased sensitivity and renders analysis of weak or transient interactions difficult to perform. In this work, we describe the development of reporters that can be chemically induced to dimerize independently of the investigated interactions and thus alleviate these issues. We incorporated our reporters into the widely used split ubiquitin-, bimolecular fluorescence complementation (BiFC)- and Förster resonance energy transfer (FRET)- based methods and investigated different protein-protein interactions in yeast and plants. We demonstrate the functionality of this concept by the analysis of weakly interacting proteins from specialized metabolism in the model plant Arabidopsis thaliana. Our results illustrate that chemically induced dimerization can function as a built-in control for split-based systems that is easily implemented and allows for direct evaluation of functionality. PMID:27282591

  3. Improving analytical methods for protein-protein interaction through implementation of chemically inducible dimerization.

    PubMed

    Andersen, Tonni Grube; Nintemann, Sebastian J; Marek, Magdalena; Halkier, Barbara A; Schulz, Alexander; Burow, Meike

    2016-01-01

    When investigating interactions between two proteins with complementary reporter tags in yeast two-hybrid or split GFP assays, it remains troublesome to discriminate true- from false-negative results and challenging to compare the level of interaction across experiments. This leads to decreased sensitivity and renders analysis of weak or transient interactions difficult to perform. In this work, we describe the development of reporters that can be chemically induced to dimerize independently of the investigated interactions and thus alleviate these issues. We incorporated our reporters into the widely used split ubiquitin-, bimolecular fluorescence complementation (BiFC)- and Förster resonance energy transfer (FRET)- based methods and investigated different protein-protein interactions in yeast and plants. We demonstrate the functionality of this concept by the analysis of weakly interacting proteins from specialized metabolism in the model plant Arabidopsis thaliana. Our results illustrate that chemically induced dimerization can function as a built-in control for split-based systems that is easily implemented and allows for direct evaluation of functionality. PMID:27282591

  4. 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

  5. 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.

  6. 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.

  7. Kinematic analysis of in situ measurement during chemical mechanical planarization process

    SciTech Connect

    Li, Hongkai; Wang, Tongqing; Zhao, Qian; Meng, Yonggang; Lu, Xinchun

    2015-10-15

    Chemical mechanical planarization (CMP) is the most widely used planarization technique in semiconductor manufacturing presently. With the aid of in situ measurement technology, CMP tools can achieve good performance and stable productivity. However, the in situ measurement has remained unexplored from a kinematic standpoint. The available related resources for the kinematic analysis are very limited due to the complexity and technical secret. In this paper, a comprehensive kinematic analysis of in situ measurement is provided, including the analysis model, the measurement trajectory, and the measurement time of each zone of wafer surface during the practical CMP process. In addition, a lot of numerical calculations are performed to study the influences of main parameters on the measurement trajectory and the measurement velocity variation of the probe during the measurement process. All the efforts are expected to improve the in situ measurement system and promote the advancement in CMP control system.

  8. 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

  9. 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

  10. 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.

  11. 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.

  12. 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…

  13. Chemical derivatization for forensic drug analysis by GC- and LC-MS.

    PubMed

    Lin, D L; Wang, S M; Wu, C H; Chen, B G; Liu, R H

    2016-01-01

    Utilizing chemical derivatization (CD) to improve gas chromatographic (GC) and GC-mass spectrometric (MS) analysis of drugs has been abundantly studied and widely practiced, while in liquid chromatography (LC) and LC-MS, application of CD approaches is still at an early stage. Silylation, acylation, and alkylation are common CD reactions, long adopted by GC and GC-MS (including GC-MS/MS) methodologies, to improve analytes' stability and/or to optimize their extraction/separation and detection efficiencies. Highly polar and nonvolatile analytes are not amenable to GC-MS analysis without the CD step; however, CD can improve LC-MS analysis of highly polar analytes, especially those with low molecular weights. Many CD reagents developed for GC and GC-MS applications are also effective in LC-MS. Other CD reagents are developed for LC-MS to enhance analytes' performance under electrospray and atmospheric pressure ionization sources. Certain CD reagents are designed to facilitate analytes' fragmentation (upon collision-induced dissociation) in generating intense product ions for sensitive MS/MS detection. In this review, various CD reagents, reaction types, and application examples are presented and discussed, with emphases on GC-MS and LC-MS analysis of drugs of abuse. PMID:26841721

  14. Method of manipulating the chemical properties of water to improve the effectiveness of a desired process

    DOEpatents

    Hawthorne, Steven B.; Miller, David J.; Lagadec, Arnaud Jean-Marie; Hammond, Peter James; Clifford, Anthony Alan

    2002-01-01

    The method of the present invention is adapted to manipulate the chemical properties of water in order to improve the effectiveness of a desired process. The method involves heating the water in the vessel to subcritical temperatures between 100.degree. to 374.degree. C. while maintaining sufficient pressure to the water to maintain the water in the liquid state. Various physiochemical properties of the water can be manipulated including polarity, solute solubility, surface tension, viscosity, and the disassociation constant. The method of the present invention has various uses including extracting organics from solids and semisolids such as soil, selectively extracting desired organics from liquids, selectively separating organics using sorbent phases, enhancing reactions by controlling the disassociation constant of water, cleaning waste water, removing organics from water using activated carbon or other suitable sorbents, and degrading various compounds.

  15. Process techniques for improving post-exposure delay stability in chemically amplified resists

    NASA Astrophysics Data System (ADS)

    Nour, Sassan; Pavelchek, Edward K.; Lindsay, Tracy K.; Moynihan, Matthew L.; Gambin, Lori

    1997-07-01

    The post-exposure delay (PED) stability of several chemically amplified DUV resists in unfiltered environments is shown to be strongly dependent on the standing wave intensity. The use of a bottom antireflective layer diminishes the rate of CD change for UVIIHSTM, UVIIITM, APEX-E and UV5TM resists by a factor of three or greater. Increasing the post exposure bake to diffuse outstanding waves results in a three to six fold improvement with UVIIHS, UVIII, UV5 and UV6TM. These resists show the greatest stability when soft baked at high temperatures to reduce the diffusion rate of airborne contaminants, and post-exposure baked at high temperatures to diffuse out the standing wave pattern.

  16. Fluid Diversion and Sweep Improvement with Chemical Gels in Oil Recovery Processes

    SciTech Connect

    Seright, R.S.; Martin, F.D.

    1991-11-01

    This report describes progress made during the second year of the three-year project, Fluid diversion and Sweep Improvement with Chemical Gels in Oil Recovery Processes.'' The objectives of this project are to identify the mechanisms by which gel treatments divert fluids in reservoirs and to establish where and how gel treatments are best applied. Several different types of gelants are being examined. This research is directed at gel applications in water injection wells, in production wells, and in high-pressure gasfloods. The work examines how the flow properties of gels and gelling agents are influenced by permeability, lithology, and wettability. Other goals include determining the proper placement of gelants, the stability of in-place gels, and the types of gels required for the various oil recovery processes and for different scales of reservoir heterogeneity. 93 refs., 39 figs., 43 tabs.

  17. Nanosoldering carbon nanotube junctions by local chemical vapor deposition for improved device performance.

    PubMed

    Do, Jae-Won; Estrada, David; Xie, Xu; Chang, Noel N; Mallek, Justin; Girolami, Gregory S; Rogers, John A; Pop, Eric; Lyding, Joseph W

    2013-01-01

    The performance of carbon nanotube network (CNN) devices is usually limited by the high resistance of individual nanotube junctions (NJs). We present a novel method to reduce this resistance through a nanoscale chemical vapor deposition (CVD) process. By passing current through the devices in the presence of a gaseous CVD precursor, localized nanoscale Joule heating induced at the NJs stimulates the selective and self-limiting deposition of metallic nanosolder. The effectiveness of this nanosoldering process depends on the work function of the deposited metal (here Pd or HfB2), and it can improve the on/off current ratio of a CNN device by nearly an order of magnitude. This nanosoldering technique could also be applied to other device types where nanoscale resistance components limit overall device performance. PMID:24215439

  18. Improving cancer therapies by targeting the physical and chemical hallmarks of the tumor microenvironment.

    PubMed

    Ivey, Jill W; Bonakdar, Mohammad; Kanitkar, Akanksha; Davalos, Rafael V; Verbridge, Scott S

    2016-09-28

    Tumors are highly heterogeneous at the patient, tissue, cellular, and molecular levels. This multi-scale heterogeneity poses significant challenges for effective therapies, which ideally must not only distinguish between tumorous and healthy tissue, but also fully address the wide variety of tumorous sub-clones. Commonly used therapies either leverage a biological phenotype of cancer cells (e.g. high rate of proliferation) or indiscriminately kill all the cells present in a targeted volume. Tumor microenvironment (TME) targeting represents a promising therapeutic direction, because a number of TME hallmarks are conserved across different tumor types, despite the underlying genetic heterogeneity. Historically, TME targeting has largely focused on the cells that support tumor growth (e.g. vascular endothelial cells). However, by viewing the intrinsic physical and chemical alterations in the TME as additional therapeutic opportunities rather than barriers, a new class of TME-inspired treatments has great promise to complement or replace existing therapeutic strategies. In this review we summarize the physical and chemical hallmarks of the TME, and discuss how these tumor characteristics either currently are, or may ultimately be targeted to improve cancer therapies. PMID:26724680

  19. Improving N(6)-methyladenosine site prediction with heuristic selection of nucleotide physical-chemical properties.

    PubMed

    Zhang, Ming; Sun, Jia-Wei; Liu, Zi; Ren, Ming-Wu; Shen, Hong-Bin; Yu, Dong-Jun

    2016-09-01

    N(6)-methyladenosine (m(6)A) is one of the most common and abundant post-transcriptional RNA modifications found in viruses and most eukaryotes. m(6)A plays an essential role in many vital biological processes to regulate gene expression. Because of its widespread distribution across the genomes, the identification of m(6)A sites from RNA sequences is of significant importance for better understanding the regulatory mechanism of m(6)A. Although progress has been achieved in m(6)A site prediction, challenges remain. This article aims to further improve the performance of m(6)A site prediction by introducing a new heuristic nucleotide physical-chemical property selection (HPCS) algorithm. The proposed HPCS algorithm can effectively extract an optimized subset of nucleotide physical-chemical properties under the prescribed feature representation for encoding an RNA sequence into a feature vector. We demonstrate the efficacy of the proposed HPCS algorithm under different feature representations, including pseudo dinucleotide composition (PseDNC), auto-covariance (AC), and cross-covariance (CC). Based on the proposed HPCS algorithm, we implemented an m(6)A site predictor, called M6A-HPCS, which is freely available at http://csbio.njust.edu.cn/bioinf/M6A-HPCS. Experimental results over rigorous jackknife tests on benchmark datasets demonstrated that the proposed M6A-HPCS achieves higher success rates and outperforms existing state-of-the-art sequence-based m(6)A site predictors. PMID:27293216

  20. Evaluating the efficacy of a mental models approach for improving occupational chemical risk protection.

    PubMed

    Niewöhner, Jörg; Cox, Patrick; Gerrard, Simon; Pidgeon, Nick

    2004-04-01

    Chemical risk protection in the workplace relies partly on informing workers about possible risks using material safety data sheets (MSDS). This article reports on phase 2 of a project (phase 1 reported in Cox et al.), which employed a mental models approach to improve on data sheets as communicative interventions for perchloroethylene in dry cleaning and rosin-based solder flux in the electronics industry within small businesses in the United Kingdom (small enterprises (SEs) < 25 employees in the workplace). It focuses on the efficacy of a multimethod evaluation strategy to assess (1) the capacity of a mental models approach to yield contextually relevant data for intervention design and (2) the effectiveness of the strategy itself in validating the mental models data. The evaluation was conducted using postal questionnaires and semi-structured verbal protocols to provide responses to the alternative intervention content and to prioritize risk messages. User discussion groups were then employed, particularly as a means of establishing whether contextual information could be obtained that would differ qualitatively from the kind elicited through individual (semi) structured methods. We conclude that the mental models approach as part of an iterative process including systematic multimethod evaluation is successful in supporting the design of relevant communications to the users of chemicals. The overall viability of communicative interventions in the context of health and safety in small businesses remains in question. Future research might aim to develop a more holistic approach to interventions in complex occupational contexts. PMID:15078306

  1. Improved CO sub 2 enhanced oil recovery -- Mobility control by in-situ chemical precipitation

    SciTech Connect

    Ameri, S.; Aminian, K.; Wasson, J.A.; Durham, D.L.

    1991-06-01

    The overall objective of this study has been to evaluate the feasibility of chemical precipitation to improve CO{sub 2} sweep efficiency and mobility control. The laboratory experiments have indicated that carbonate precipitation can alter the permeability of the core samples under reservoir conditions. Furthermore, the relative permeability measurements have revealed that precipitation reduces the gas permeability in favor of liquid permeability. This indicates that precipitation is occurring preferentially in the larger pores. Additional experimental work with a series of connected cores have indicated that the permeability profile can be successfully modified. However, Ph control plays a critical role in propagation of the chemical precipitation reaction. A numerical reservoir model has been utilized to evaluate the effects of permeability heterogeneity and permeability modification on the CO{sub 2} sweep efficiency. The computer simulation results indicate that the permeability profile modification can significantly enhance CO{sub 2} vertical and horizontal sweep efficiencies. The scoping studies with the model have further revealed that only a fraction of high permeability zones need to be altered to achieve sweep efficiency enhancement. 64 refs., 30 figs., 16 tabs.

  2. Comparison of Seven Chemical Pretreatments of Corn Straw for Improving Methane Yield by Anaerobic Digestion

    PubMed Central

    Song, Zilin; GaiheYang; Liu, Xiaofeng; Yan, Zhiying; Yuan, Yuexiang; Liao, Yinzhang

    2014-01-01

    Agriculture straw is considered a renewable resource that has the potential to contribute greatly to bioenergy supplies. Chemical pretreatment prior to anaerobic digestion can increase the anaerobic digestibility of agriculture straw. The present study investigated the effects of seven chemical pretreatments on the composition and methane yield of corn straw to assess their effectiveness of digestibility. Four acid reagents (H2SO4, HCl, H2O2, and CH3COOH) at concentrations of 1%, 2%, 3%, and 4% (w/w) and three alkaline reagents (NaOH, Ca(OH)2, and NH3·H2O) at concentrations of 4%, 6%, 8%, and 10% (w/w) were used for the pretreatments. All pretreatments were effective in the biodegradation of the lignocellulosic straw structure. The straw, pretreated with 3% H2O2 and 8% Ca(OH)2, acquired the highest methane yield of 216.7 and 206.6 mL CH4 g VS −1 in the acid and alkaline pretreatments, which are 115.4% and 105.3% greater than the untreated straw. H2O2 and Ca(OH)2 can be considered as the most favorable pretreatment methods for improving the methane yield of straw because of their effectiveness and low cost. PMID:24695485

  3. 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.

  4. 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

  5. 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...

  6. Discrimination Enhancement with Transient Feature Analysis of a Graphene Chemical Sensor.

    PubMed

    Nallon, Eric C; Schnee, Vincent P; Bright, Collin J; Polcha, Michael P; Li, Qiliang

    2016-01-19

    A graphene chemical sensor is subjected to a set of structurally and chemically similar hydrocarbon compounds consisting of toluene, o-xylene, p-xylene, and mesitylene. The fractional change in resistance of the sensor upon exposure to these compounds exhibits a similar response magnitude among compounds, whereas large variation is observed within repetitions for each compound, causing a response overlap. Therefore, traditional features depending on maximum response change will cause confusion during further discrimination and classification analysis. More robust features that are less sensitive to concentration, sampling, and drift variability would provide higher quality information. In this work, we have explored the advantage of using transient-based exponential fitting coefficients to enhance the discrimination of similar compounds. The advantages of such feature analysis to discriminate each compound is evaluated using principle component analysis (PCA). In addition, machine learning-based classification algorithms were used to compare the prediction accuracies when using fitting coefficients as features. The additional features greatly enhanced the discrimination between compounds while performing PCA and also improved the prediction accuracy by 34% when using linear discrimination analysis. PMID:26674670

  7. Chemical etching of stainless steel 301 for improving performance of electrochemical capacitors in aqueous electrolyte

    NASA Astrophysics Data System (ADS)

    Jeżowski, P.; Nowicki, M.; Grzeszkowiak, M.; Czajka, R.; Béguin, F.

    2015-04-01

    The main purpose of the study was to increase the surface roughness of stainless steel 301 current collectors by etching, in order to improve the electrochemical performance of electrical double-layer capacitors (EDLC) in 1 mol L-1 lithium sulphate electrolyte. Etching was realized in 1:3:30 (HNO3:HCl:H2O) solution with times varying up to 10 min. For the considered 15 μm thick foil and a mass loss around 0.4 wt.%, pitting was uniform, with diameter of pits ranging from 100 to 300 nm. Atomic force microscopy (AFM) showed an increase of average surface roughness (Ra) from 5 nm for the as-received stainless steel foil to 24 nm for the pitted material. Electrochemical impedance spectroscopy realized on EDLCs with coated electrodes either on as-received or pitted foil in 1 mol L-1 Li2SO4 gave equivalent distributed resistance (EDR) of 8 Ω and 2 Ω, respectively, demonstrating a substantial improvement of collector/electrode interface after pitting. Correlatively, the EDLCs with pitted collector displayed a better charge propagation and low ohmic losses even at relatively high current of 20 A g-1. Hence, chemical pitting of stainless steel current collectors is an appropriate method for optimising the performance of EDLCs in neutral aqueous electrolyte.

  8. Improved chemically amplified photoresist characterization using interdigitated electrode sensors: photoacid diffusivity measurements

    NASA Astrophysics Data System (ADS)

    Berger, Cody M.; Henderson, Clifford L.

    2004-05-01

    The ability of interdigitated electrodes to serve as novel chemically amplified resist characterization tools has recently been demonstrated through their ability to measure the Dill C kinetic rate constant for photoacid generation. The work presented in this paper attempts to further extend the capabilities of the interdigitated electrode (IDE) sensors by investigating their potential use as a measurement tool for photoacid diffusion coefficients. Impedance spectroscopy of chemically amplified photoresist coated interdigitated electrodes is used to calculate the bulk ionic conductivity of the resist film. The ionic conductivity is subsequently utilized in the Nernst-Einstein equation to calculate the diffusion coefficient of the photoacid, assuming that it is the major charge carrying species in the film. A detailed description of the measurement and data analysis processes required to calculate the diffusion coefficient of triphenylsulfonium triflate in poly(p-hydroxystyrene) is provided. In addition, the effect of varying the relative humidity of the measurement environment upon the impedance data collected has been examined. It has been observed that the presence of water within the resist film, typically as a result of absorption of water from the humid ambient environment, dramatically changes the conductivity of the resist coated IDE. This change is apparently the result of changes in the proton conduction mechanism within the resist as a function of film water content. A discussion of several possible causes of this phenomena and its impact on the interpretation of the electrical data and the calculation and meaning of an acid diffusion coefficient are presented.

  9. 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

  10. 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.

  11. Adapting Job Analysis Methodology to Improve Evaluation Practice

    ERIC Educational Resources Information Center

    Jenkins, Susan M.; Curtin, Patrick

    2006-01-01

    This article describes how job analysis, a method commonly used in personnel research and organizational psychology, provides a systematic method for documenting program staffing and service delivery that can improve evaluators' knowledge about program operations. Job analysis data can be used to increase evaluators' insight into how staffs…

  12. CFD modeling of entrained-flow coal gasifiers with improved physical and chemical sub-models

    SciTech Connect

    Ma, J.; Zitney, S.

    2012-01-01

    Optimization of an advanced coal-fired integrated gasification combined cycle system requires an accurate numerical prediction of gasifier performance. While the turbulent multiphase reacting flow inside entrained-flow gasifiers has been modeled through computational fluid dynamic (CFD), the accuracy of sub-models requires further improvement. Built upon a previously developed CFD model for entrained-flow gasification, the advanced physical and chemical sub-models presented here include a moisture vaporization model with consideration of high mass transfer rate, a coal devolatilization model with more species to represent coal volatiles and heating rate effect on volatile yield, and careful selection of global gas phase reaction kinetics. The enhanced CFD model is applied to simulate two typical oxygen-blown entrained-flow configurations including a single-stage down-fired gasifier and a two-stage up-fired gasifier. The CFD results are reasonable in terms of predicted carbon conversion, syngas exit temperature, and syngas exit composition. The predicted profiles of velocity, temperature, and species mole fractions inside the entrained-flow gasifier models show trends similar to those observed in a diffusion-type flame. The predicted distributions of mole fractions of major species inside both gasifiers can be explained by the heterogeneous combustion and gasification reactions and the homogeneous gas phase reactions. It was also found that the syngas compositions at the CFD model exits are not in chemical equilibrium, indicating the kinetics for both heterogeneous and gas phase homogeneous reactions are important. Overall, the results achieved here indicate that the gasifier models reported in this paper are reliable and accurate enough to be incorporated into process/CFD co-simulations of IGCC power plants for systemwide design and optimization.

  13. Chemical systems for improved oil recovery: Phase behavior, oil recovery, and mobility control studies

    SciTech Connect

    Llave, F.; Gall, B.; Gao, H., Scott, L., Cook, I.

    1995-09-01

    Selected surfactant systems containing a series of ethoxylated nonionic surfactants in combination with an anionic surfactant system have been studied to evaluate phase behavior as well as oil recovery potential. These experiments were conducted to evaluate possible improved phase behavior and overall oil recovery potential of mixed surfactant systems over a broad range of conditions. Both polyacrylamide polymers and Xanthan biopolymers were evaluated. Studies were initiated to use a chemical flooding simulation program, UTCHEM, to simulate oil recovery for laboratory and field applications and evaluate its use to simulate oil saturation distributions obtained in CT-monitoring of oil recovery experiments. The phase behavior studies focused on evaluating the effect of anionic-nonionic surfactant proportion on overall phase behavior. Two distinct transition behaviors were observed, depending on the dominant surfactant in the overall system. The first type of transition corresponded to more conventional behavior attributed to nonionic-dominant surfactant systems. This behavior is manifested by an oil-water-surfactant system that inverts from a water-external (highly conducting) microemulsion to an oil-external (nonconducting) one, as a function of temperature. The latter type which inverts in an opposite manner can be attributed to the separation of the anionic-nonionic mixtures into water- and oil-soluble surfactants. Both types of transition behavior can still be used to identify relative proximity to optimal areas. Determining these transition ranges provided more insight on how the behavior of these surfactant mixtures was affected by altering component proportions. Efforts to optimize the chemical system for oil displacement experiments were also undertaken. Phase behavior studies with systems formulated with biopolymer in solution were conducted.

  14. 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

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

    PubMed

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

    2016-01-01

    The number and capability of explosives detection and analysis methods have increased substantially since the publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245-246, 2009). Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. This part, Part I, reviews methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. Part II will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons. PMID:26462922

  16. Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks

    NASA Astrophysics Data System (ADS)

    Zhang, Cheng; Bansal, Bhupesh; Branicio, Paulo S.; Kalia, Rajiv K.; Nakano, Aiichiro; Sharma, Ashish; Vashishta, Priya

    2006-09-01

    State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms such as K-ring analysis a challenge. This paper proposes an algorithm to improve the efficiency of ring analysis of large graphs, exploiting properties of K-rings and spatial correlations of vertices in the graph. The algorithm uses dual-tree expansion (DTE) and spatial hash-function tagging (SHAFT) to optimize computation and memory access. Numerical tests show nearly perfect linear scaling of the algorithm. Also a parallel implementation of the DTE + SHAFT algorithm achieves high scalability. The algorithm has been successfully employed to analyze large MD simulations involving up to 500 million atoms.

  17. 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.

  18. Improving The Discipline of Cost Estimation and Analysis

    NASA Technical Reports Server (NTRS)

    Piland, William M.; Pine, David J.; Wilson, Delano M.

    2000-01-01

    The need to improve the quality and accuracy of cost estimates of proposed new aerospace systems has been widely recognized. The industry has done the best job of maintaining related capability with improvements in estimation methods and giving appropriate priority to the hiring and training of qualified analysts. Some parts of Government, and National Aeronautics and Space Administration (NASA) in particular, continue to need major improvements in this area. Recently, NASA recognized that its cost estimation and analysis capabilities had eroded to the point that the ability to provide timely, reliable estimates was impacting the confidence in planning many program activities. As a result, this year the Agency established a lead role for cost estimation and analysis. The Independent Program Assessment Office located at the Langley Research Center was given this responsibility. This paper presents the plans for the newly established role. Described is how the Independent Program Assessment Office, working with all NASA Centers, NASA Headquarters, other Government agencies, and industry, is focused on creating cost estimation and analysis as a professional discipline that will be recognized equally with the technical disciplines needed to design new space and aeronautics activities. Investments in selected, new analysis tools, creating advanced training opportunities for analysts, and developing career paths for future analysts engaged in the discipline are all elements of the plan. Plans also include increasing the human resources available to conduct independent cost analysis of Agency programs during their formulation, to improve near-term capability to conduct economic cost-benefit assessments, to support NASA management's decision process, and to provide cost analysis results emphasizing "full-cost" and "full-life cycle" considerations. The Agency cost analysis improvement plan has been approved for implementation starting this calendar year. Adequate financial

  19. 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.

  20. 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.

  1. Improving the Practical Education of Chemical and Pharmaceutical Engineering Majors in Chinese Universities

    ERIC Educational Resources Information Center

    Zhao, Feng-qing; Yu, Yi-feng; Ren, Shao-feng; Liu, Shao-jie; Rong, Xin-yu

    2014-01-01

    Practical education in chemical engineering has drawn increasing attention in recent years. This paper discusses two approaches to teaching and learning about experiments among upper-level chemical and pharmaceutical engineering majors in China. On the basis of years of experience in teaching chemical and pharmaceutical engineering, we propose the…

  2. Improved chemical and electrochemical stability of perovskite oxides with less reducible cations at the surface.

    PubMed

    Tsvetkov, Nikolai; Lu, Qiyang; Sun, Lixin; Crumlin, Ethan J; Yildiz, Bilge

    2016-09-01

    Segregation and phase separation of aliovalent dopants on perovskite oxide (ABO3) surfaces are detrimental to the performance of energy conversion systems such as solid oxide fuel/electrolysis cells and catalysts for thermochemical H2O and CO2 splitting. One key reason behind the instability of perovskite oxide surfaces is the electrostatic attraction of the negatively charged A-site dopants (for example, ) by the positively charged oxygen vacancies () enriched at the surface. Here we show that reducing the surface concentration improves the oxygen surface exchange kinetics and stability significantly, albeit contrary to the well-established understanding that surface oxygen vacancies facilitate reactions with O2 molecules. We take La0.8Sr0.2CoO3 (LSC) as a model perovskite oxide, and modify its surface with additive cations that are more and less reducible than Co on the B-site of LSC. By using ambient-pressure X-ray absorption and photoelectron spectroscopy, we proved that the dominant role of the less reducible cations is to suppress the enrichment and phase separation of Sr while reducing the concentration of and making the LSC more oxidized at its surface. Consequently, we found that these less reducible cations significantly improve stability, with up to 30 times faster oxygen exchange kinetics after 54 h in air at 530 °C achieved by Hf addition onto LSC. Finally, the results revealed a 'volcano' relation between the oxygen exchange kinetics and the oxygen vacancy formation enthalpy of the binary oxides of the additive cations. This volcano relation highlights the existence of an optimum surface oxygen vacancy concentration that balances the gain in oxygen exchange kinetics and the chemical stability loss. PMID:27295099

  3. PH Sensitive Polymers for Improving Reservoir Sweep and Conformance Control in Chemical Flooring

    SciTech Connect

    Mukul Sharma; Steven Bryant; Chun Huh

    2008-03-31

    There is an increasing opportunity to recover bypassed oil from depleted, mature oilfields in the US. The recovery factor in many reservoirs is low due to inefficient displacement of the oil by injected fluids (typically water). The use of chemical flooding methods to increase recovery efficiencies is severely constrained by the inability of the injected chemicals to contact the bypassed oil. Low sweep efficiencies are the primary cause of low oil recoveries observed in the field in chemical flooding operations even when lab studies indicate high oil recovery efficiency. Any technology that increases the ability of chemical flooding agents to better contact the remaining oil and reduce the amount of water produced in conjunction with the produced oil will have a significant impact on the cost of producing oil domestically in the US. This translates directly into additional economically recoverable reserves, which extends the economic lives of marginal and mature wells. The objective of this research project was to develop a low-cost, pH-triggered polymer for use in IOR processes to improve reservoir sweep efficiency and reservoir conformance in chemical flooding. Rheological measurements made on the polymer solution, clearly show that it has a low viscosity at low pH and exhibits a sudden increase in viscosity (by 2 orders of magnitude or more) at a pH of 3.5 to 4. This implies that the polymer would preferentially flow into zones containing water since the effective permeability to water is highest in these zones. As the pH of the zone increases due to the buffering capacity of the reservoir rock, the polymer solution undergoes a liquid to gel transition causing a sharp increase in the viscosity of the polymer solution in these zones. This allows operationally robust, in-depth conformance treatment of such water bearing zones and better mobility control. The rheological properties of HPAM solutions were measured. These include: steady-shear viscosity and

  4. 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.

  5. 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.

  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. Targeting Hormone-Related Pathways to Improve Grain Yield in Rice: A Chemical Approach

    PubMed Central

    Tamaki, Hiroaki; Reguera, Maria; Abdel-Tawab, Yasser M.; Takebayashi, Yumiko; Kasahara, Hiroyuki; Blumwald, Eduardo

    2015-01-01

    Sink/source relationships, regulating the mobilization of stored carbohydrates from the vegetative tissues to the grains, are of key importance for grain filling and grain yield. We used different inhibitors of plant hormone action to assess their effects on grain yield and on the expression of hormone-associated genes. Among the tested chemicals, 2-indol-3-yl-4-oxo-4-phenylbutanoic acid (PEO-IAA; antagonist of auxin receptor), nordihydroguaiaretic acid (NDGA; abscisic acid (ABA) biosynthesis inhibitor), and 2-aminoisobutyric acid (AIB; ethylene biosynthesis inhibitor) improved grain yield in a concentration dependent manner. These effects were also dependent on the plant developmental stage. NDGA and AIB treatments induced an increase in photosynthesis in flag leaves concomitant to the increments of starch content in flag leaves and grains. NDGA inhibited the expression of ABA-responsive gene, but did not significantly decrease ABA content. Instead, NDGA significantly decreased jasmonic acid and jasmonic acid-isoleucine. Our results support the notion that the specific inhibition of jasmonic acid and ethylene biosynthesis resulted in grain yield increase in rice. PMID:26098557

  8. Chemical Polysialylation and In Vivo Tetramerization Improve Pharmacokinetic Characteristics of Recombinant Human Butyrylcholinesterase-Based Bioscavengers

    PubMed Central

    Terekhov, S. S.; Smirnov, I. V.; Shamborant, O. G.; Bobik, T. V.; Ilyushin, D. G.; Murashev, A. N.; Dyachenko, I. A.; Palikov, V. A.; Knorre, V. D.; Belogurov, A. A.; Ponomarenko, N. A.; Kuzina, E. S.; Genkin, D. D.; Masson, P.; Gabibov, A. G.

    2015-01-01

    Organophosphate toxins (OPs) are the most toxic low-molecular compounds. The extremely potent toxicity of OPs is determined by their specificity toward the nerve system. Human butyrylcholinesterase (hBChE) is a natural bioscavenger against a broad spectrum of OPs, which makes it a promising candidate for the development of DNA-encoded bioscavengers. The high values of the protective index observed for recombinant hBChE (rhBChE) make it appropriate for therapy against OP poisoning, especially in the case of highly toxic warfare nerve agents. Nevertheless, large-scale application of biopharmaceuticals based on hBChE is restricted due to its high cost and extremely rapid elimination from the bloodstream. In the present study, we examine two approaches for long-acting rhBChE production: I) chemical polysialylation and II) in-vivo tetramerization. We demonstrate that both approaches significantly improve the pharmacokinetic characteristics of rhBChE (more than 5 and 10 times, respectively), which makes it possible to use rhBChE conjugated with polysialic acids (rhBChE-CAO) and tetrameric rhBChE (4rhBChE) in the treatment of OP poisonings. PMID:26798501

  9. Development of improved space sampling strategies for ocean chemical properties: Total carbon dioxide and dissolved nitrate

    NASA Technical Reports Server (NTRS)

    Goyet, Catherine; Davis, Daniel; Peltzer, Edward T.; Brewer, Peter G.

    1995-01-01

    Large-scale ocean observing programs such as the Joint Global Ocean Flux Study (JGOFS) and the World Ocean Circulation Experiment (WOCE) today, must face the problem of designing an adequate sampling strategy. For ocean chemical variables, the goals and observing technologies are quite different from ocean physical variables (temperature, salinity, pressure). We have recently acquired data on the ocean CO2 properties on WOCE cruises P16c and P17c that are sufficiently dense to test for sampling redundancy. We use linear and quadratic interpolation methods on the sampled field to investigate what is the minimum number of samples required to define the deep ocean total inorganic carbon (TCO2) field within the limits of experimental accuracy (+/- 4 micromol/kg). Within the limits of current measurements, these lines were oversampled in the deep ocean. Should the precision of the measurement be improved, then a denser sampling pattern may be desirable in the future. This approach rationalizes the efficient use of resources for field work and for estimating gridded (TCO2) fields needed to constrain geochemical models.

  10. Effect of chemical and physical factors to improve the germination rate of Echinacea angustifolia seeds.

    PubMed

    Chuanren, Duan; Bochu, Wang; Wanqian, Liu; Jing, Chen; Jie, Lian; Huan, Zhao

    2004-09-01

    Seeds of Echinacea angustifolia are known for their deep dormancy. In this paper, we studied the responses of E. angustifolia seeds to some chemical and physical factors, such as scarification, chilling (5 degrees C) period, light and applied BA (6-benzylaminopurine), GA3 (gibberellic acid) and sound stimulation. When the seed coat layers were removed, the germination rate grew up from 6 to 20% (incubated in light) and the mean time germination (MTG) was reduced from 18 to 6.6 days. On the basis of layers-removed, chilling and continuous light gave significantly higher germination rate (up to 70%). Compare the data of seeds chilled by 0, 6, 12, 18 and 24 days, the maximum germination rate (up to 70%) achieved at 18-days chilling treatment. Further increases in the chilling period could slightly improve germination. Exogenous application of 0.1, 0.2, 0.3 mg/L GA3 or BA in the previous pretreatment increased germination to 78, 90 and 84% or 76, 86 and 84%, respectively. Obviously, the best concentration of GA or BA is 0.3 mg/L. And the GA3 or BA treatment shortened the MTG to about 4 days. The influence of sound stimulation was also tested in the experiment. The result showed that one 100 dB and 1000 Hz sound wave (sine-wave) was beneficial to the germination of E. angustifolia seeds. PMID:15342019

  11. Improved ultrathin oxynitride formed by thermal nitridation and low pressure chemical vapor deposition process

    NASA Astrophysics Data System (ADS)

    Maiti, Bikas; Hao, Ming Yin; Lee, Insup; Lee, Jack C.

    1992-10-01

    In this letter, we will present the electrical and reliability characteristics of ultrathin oxynitrides (65-73 Å) formed by thermal nitridation of silicon substrate followed by deposition of silicon dioxide by low pressure chemical vapor deposition (LPCVD) technique. The dielectric integrity has been compared to those of the conventional thermal oxide and reoxidized nitrided oxides. It has been found that the new oxynitrides have lower electron trapping, higher charge-to-breakdown, and lower interface state generation under electrical stress even in comparison to reoxidized nitrided oxides with the same thermal budget. The improved characteristics are believed to be due to the combination of the nitrogen-rich layer at the Si/SiO2 interface, the higher quality of LPCVD oxides over thermally grown oxides, and the reduced hydrogen concentration in the dielectrics in comparison to conventional nitrided oxides. The results indicate that these new oxynitride films may be promising for ultra large scale integrated metal-oxide-semiconductor device applications, especially in cases where low thermal budget processes are desirable.

  12. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    NASA Astrophysics Data System (ADS)

    Zhou, C.; Zhang, X.; Gong, S.

    2015-12-01

    A comprehensive aerosol-cloud-precipitation interaction (ACI) scheme has been developed under CMA chemical weather modeling system GRAPES/CUACE. Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN) is fed online interactively into a two-moment cloud scheme (WDM6) and a convective parameterization to drive the cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred. The results show that interactive aerosols with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content and cloud droplet number concentrations while decrease the mean diameter of cloud droplets with varying magnitudes of the changes in each case and region. These interactive micro-physical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24% to 48% enhancements of TS scoring for 6-h precipitation in almost all regions. The interactive aerosols with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3°C.

  13. Defective carbon nanotube-silicon heterojunctions for photodetector and chemical sensor with improved responses

    NASA Astrophysics Data System (ADS)

    Choi, Jungwook; Kim, Jongbaeg

    2015-11-01

    The direct growth and integration of defect-modulated carbon nanotubes (CNTs) on n-type silicon (Si) microstructures for high performance photodetectors and chemiresistive sensors is presented. By devising a Si microspring that is strained by the growth force of the CNTs, a vertical load from the restoring force of the microspring is perpendicularly applied against the growth direction of the CNTs. This vertical load induces the formation of defective structures in the CNTs while the CNT-Si heterojunctions are fabricated. Under the illumination of UV light, photogenerated carriers from both the CNTs and the Si can be separated at the CNT-Si heterojunctions and at the defects in the CNTs before recombination, which contributes to a high photoresponsivity of 262.3 mA W-1 and an external quantum efficiency of 91.4%. Moreover, the adsorption of chemical species can be promoted by increasing the defects in the CNTs, thereby improving the sensing responsiveness toward ethanol and NO2 vapors. Our simple and facile growth of defect-adjusted CNTs on conductive Si microstructures would be beneficial to the scalable, high throughput manufacturing of heterojunctioned devices with tunable properties and functionalities of the CNTs.

  14. Targeting Hormone-Related Pathways to Improve Grain Yield in Rice: A Chemical Approach.

    PubMed

    Tamaki, Hiroaki; Reguera, Maria; Abdel-Tawab, Yasser M; Takebayashi, Yumiko; Kasahara, Hiroyuki; Blumwald, Eduardo

    2015-01-01

    Sink/source relationships, regulating the mobilization of stored carbohydrates from the vegetative tissues to the grains, are of key importance for grain filling and grain yield. We used different inhibitors of plant hormone action to assess their effects on grain yield and on the expression of hormone-associated genes. Among the tested chemicals, 2-indol-3-yl-4-oxo-4-phenylbutanoic acid (PEO-IAA; antagonist of auxin receptor), nordihydroguaiaretic acid (NDGA; abscisic acid (ABA) biosynthesis inhibitor), and 2-aminoisobutyric acid (AIB; ethylene biosynthesis inhibitor) improved grain yield in a concentration dependent manner. These effects were also dependent on the plant developmental stage. NDGA and AIB treatments induced an increase in photosynthesis in flag leaves concomitant to the increments of starch content in flag leaves and grains. NDGA inhibited the expression of ABA-responsive gene, but did not significantly decrease ABA content. Instead, NDGA significantly decreased jasmonic acid and jasmonic acid-isoleucine. Our results support the notion that the specific inhibition of jasmonic acid and ethylene biosynthesis resulted in grain yield increase in rice. PMID:26098557

  15. Chemical Polysialylation and In Vivo Tetramerization Improve Pharmacokinetic Characteristics of Recombinant Human Butyrylcholinesterase-Based Bioscavengers.

    PubMed

    Terekhov, S S; Smirnov, I V; Shamborant, O G; Bobik, T V; Ilyushin, D G; Murashev, A N; Dyachenko, I A; Palikov, V A; Knorre, V D; Belogurov, A A; Ponomarenko, N A; Kuzina, E S; Genkin, D D; Masson, P; Gabibov, A G

    2015-01-01

    Organophosphate toxins (OPs) are the most toxic low-molecular compounds. The extremely potent toxicity of OPs is determined by their specificity toward the nerve system. Human butyrylcholinesterase (hBChE) is a natural bioscavenger against a broad spectrum of OPs, which makes it a promising candidate for the development of DNA-encoded bioscavengers. The high values of the protective index observed for recombinant hBChE (rhBChE) make it appropriate for therapy against OP poisoning, especially in the case of highly toxic warfare nerve agents. Nevertheless, large-scale application of biopharmaceuticals based on hBChE is restricted due to its high cost and extremely rapid elimination from the bloodstream. In the present study, we examine two approaches for long-acting rhBChE production: I) chemical polysialylation and II) in-vivo tetramerization. We demonstrate that both approaches significantly improve the pharmacokinetic characteristics of rhBChE (more than 5 and 10 times, respectively), which makes it possible to use rhBChE conjugated with polysialic acids (rhBChE-CAO) and tetrameric rhBChE (4rhBChE) in the treatment of OP poisonings. PMID:26798501

  16. Improving source efficiency for aluminum nitride grown by metal organic chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Foronda, Humberto M.; Laurent, Matthew A.; Yonkee, Benjanim; Keller, Stacia; DenBaars, Steven P.; Speck, James S.

    2016-08-01

    Parasitic pre-reactions are known to play a role in the growth of aluminum nitride (AlN) via metal organic chemical vapor deposition, where they can deplete precursor molecules before reaching the substrate, leading to poor growth efficiency. Studies have shown that reducing the growth pressure and growth temperature results in improved growth efficiency of AlN; however, superior crystal quality and reduced impurity incorporation are generally best obtained when growing at high temperatures. This study shows that, with proper alkyl source dilution, parasitic pre-reactions can be suppressed while maintaining high growth temperatures. The results show an 18× increase in growth rate and efficiency of AlN films: from 0.04 μm h‑1 to 0.73 μm h‑1, and 26 μm mol‑1 to 502 μm mol‑1, respectively; under constant TMAl flow and a small change in total gas flow. This results in 6.8% of Al atoms from the injected TMAl being utilized for AlN layer growth for this reactor configuration. This is better than the standard GaN growth, where 6.0% of the Ga atoms injected from TMGa are utilized for GaN growth.

  17. Chemically induced graft copolymerization of 2-hydroxyethyl methacrylate onto polyurethane surface for improving blood compatibility

    NASA Astrophysics Data System (ADS)

    He, Chunli; Wang, Miao; Cai, Xianmei; Huang, Xiaobo; Li, Li; Zhu, Haomiao; Shen, Jian; Yuan, Jiang

    2011-11-01

    To improve hydrophilicity and blood compatibility properties of polyurethane (PU) film, we chemically induced graft copolymerization of 2-hydroxyethyl methacrylate (HEMA) onto the surface of polyurethane film using benzoyl peroxide as an initiator. The effects of grafting temperature, grafting time, monomer and initiator concentrations on the grafting yields were studied. The maximum grafting yield value was obtained 0.0275 g/cm2 for HEMA. Characterization of the films was carried out by attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), water contact angle measurements. ATR-FTIR data showed that HEMA was successfully grafted onto the PU films surface. Water contact angle measurement demonstrated the grafted films possessed a relatively hydrophilic surface. The blood compatibility of the grafted films was preliminarily evaluated by a platelet-rich plasma adhesion test and hemolysis test. The results of platelet adhesion experiment showed that polyurethane grafted polymerization with monomer of 2-hydroxyethyl methacrylate had good blood compatibility featured by the low platelet adhesion. Hemolysis rate of the PU-g-PHEMA films was dramatically decreased than the ungrafted PU films. This kind of new biomaterials grafted with HEMA monomers might have a potential usage for biomedical applications.

  18. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    NASA Astrophysics Data System (ADS)

    Zhou, C.; Zhang, X.; Gong, S.; Wang, Y.; Xue, M.

    2015-06-01

    A comprehensive aerosol-cloud-precipitation interaction (ACI) scheme has been developed under CMA chemical weather modeling system GRAPES/CUACE. Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN) is fed online interactively into a two-moment cloud scheme (WDM6) and a convective parameterization to drive the cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred. The results show that interactive aerosols with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content and cloud droplet number concentrations while decrease the mean diameter of cloud droplets with varying magnitudes of the changes in each case and region. These interactive micro-physical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48% enhancements of TS scoring for 6 h precipitation in almost all regions. The interactive aerosols with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  19. Human exploration of near earth asteroids: Mission analysis for chemical and electric propulsion

    NASA Astrophysics Data System (ADS)

    Herman, Jonathan F. C.; Zimmer, Aline K.; Reijneveld, Johannes P. J.; Dunlop, Kathryn L.; Takahashi, Yu; Tardivel, Simon; Scheeres, Daniel J.

    2014-11-01

    This paper presents a mission analysis comparison of human missions to asteroids using two distinct architectures. The objective is to determine if either architecture can reduce launch mass with respect to the other, while not sacrificing other performance metrics such as mission duration. One architecture relies on chemical propulsion, the traditional workhorse of space exploration. The second combines chemical and electric propulsion into a hybrid architecture that attempts to utilize the strengths of each, namely the short flight times of chemical propulsion and the propellant efficiency of electric propulsion. The architectures are thoroughly detailed, and accessibility of the known asteroid population is determined for both. The most accessible asteroids are discussed in detail. Aspects such as mission abort scenarios and vehicle reusability are also discussed. Ultimately, it is determined that launch mass can be greatly reduced with the hybrid architecture, without a notable increase in mission duration. This demonstrates that significant performance improvements can be introduced to the next step of human space exploration with realistic electric propulsion system capabilities. This leads to immediate cost savings for human exploration and simultaneously opens a path of technology development that leads to technologies enabling access to even further destinations in the future.

  20. 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

  1. 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

  2. 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.

  3. 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...

  4. 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 ...

  5. 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

  6. 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...

  7. 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

  8. 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

  9. Improving Lightning NO(x) Parameterizations for Global Chemical Transport Models

    NASA Technical Reports Server (NTRS)

    Pickering, Kenneth E.; Ott, Lesley E.; DeCaria, Alex J.; Stenchikov, Georgiy L.; Allen, Dale J.; Tao, Wei-Kuo

    2006-01-01

    Parameterization of lightning NO(x) in global chemical transport models requires a method to specify the temporal and geographic distribution of flash rates, an estimate of NO production per flash, and a method to specify the effective vertical distribution of NO production. Flash rate parameterizations using the upward convective cloud mass flux have been developed and tested for several GCM and assimilated meteorological data sets. This parameterization and others involving the cloud-top height and convective precipitation provide a generally acceptable climatological distribution of flashes after normalization with satellite data. However, considerable improvement in terms of geographic and temporal variability may be achieved in the future using cloud microphysics data available from next-generation GCMs. Cloud-resolving case-study simulations of convective transport and lightning NO production have yielded results which are directly applicable to the NO production per flash and the vertical NO distribution portions of the global model lightning parameterizations. In this work we have used cloud-resolving models (the Goddard Cumulus Ensemble Model (GCE) and MM5) to drive an off-line cloud-scale chemical transport model (CSCTM). The CSCTM, in conjunction with aircraft measurements of NO(x) in thunderstorms and ground-based lightning observations, has been used to constrain the amount of NO produced per flash. Observed lightning flash rates have been incorporated into the CSCTM, and several scenarios of NO production per intracloud (IC) and per cloud-to-ground (CG) flash have been tested in each of several case study storms. The resulting NO(x) mixing ratios are compared with aircraft measurements taken within the storm (typically the anvil region) to determine the most likely NO production scenario. The range of values of NO production per flash (or per meter of lightning channel length) that have been deduced from the model will be shown and compared with

  10. Characterization of Sealed Radioactive Sources: An Uncertainty Analysis to Improve Detection Methods

    SciTech Connect

    Daniel G. Cummings; James D. Sommers; Mary L. Adamic; Marcos Jimenez; Jeffrey G. Giglio; Kevin P. Carney; Karl Grimm

    2009-12-01

    The characterization of several types of sealed radiation sources has been accomplished. Specifically, cesium and strontium sources have been chemically characterized by inductively coupled plasma mass spectrometry (ICP-MS). One of the important pieces of information coming from the characterization is the “age” since purification. The age refers to the time since purification of the Cs or Sr components. A detailed error analysis of the mass spectrometric work has been undertaken to identify areas of improvement, as well as quantitating the effect the errors have on the “age” determined. This paper reports an uncertainty analysis associated with the measurements and identifying areas of improvement and alternative techniques that may reduce the uncertainties. In particular, work on isotope dilution using ICP-MS for the “age” determination of sealed sources will be presented, along with a detailed error analysis. The results will be compared to the original work done with simple instrument calibration.

  11. Rohm and Haas: Furnace Replacement Project Saves Energy and Improves Production at a Chemical Plant

    SciTech Connect

    Not Available

    2006-02-01

    This DOE Industrial Technologies Program spotlight describes how Rohm and Haas's Deer Park, Texas, chemical plant reduced natural gas usage and energy costs by replacing inefficient furnace equipment.

  12. EXPLOITING CHEMICAL ECOLOGY FOR LIVELIHOOD IMPROVEMENT OF SMALL HOLDER FARMERS IN KENYA.

    PubMed

    Winter, E; Midega, C; Bruce, T; Hummel, H E; Langner, S S; Leithold, G; Khan, Z; Pickett, J

    2014-01-01

    "Push-Pull" is an inexpensive and eminently practical strategy designed for developing countries in order to exploit sound principles of chemical ecology for agricultural pest management. This strategy is specifically suitable for small holder farmers. Their experience can easily be integrated into existing farming practices in their immediate environment. "Push-pull" within one and a half decades became widely established and meanwhile is greatly beneficial to practitioners in East Africa, mainly Kenya. The classical push-pull approach used for applied plant-insect management was pioneered by Khan and Pickett (2000) and subsequent papers of Pickett (2003) and Khan et al. (2006, 2008). Relevant plant species explored so far were maize or sorghum intercropped with other East African plants (Desmodium spp. resp. Melinis minutiflora) possessing natural chemicals repellent resp. attractive for stem borer moths Chilo partellus (Lepidoptera), whereby Desmodium spp. was grown inside the maize rows while M. minutiflora surrounded it. Both simultaneous actions combined resulted in a significant decrease of stem borers in the area to be protected. A benefit to cost ratio of 2.5 was realized. Within a period of 15 years the number of subscribing farmers substantially increased from a few dozen to more than 80,000 in 2014. Two experiments along the paths of chemical ecology were undertaken between Sept 2012 and Feb 2013: One was designed to investigate if the legume D. intortum known to produce repellent volatiles against stem borer moths induces defence in Zea mays varieties. We looked at two open-pollinated farmers' varieties and two commercial hybrid varieties suspecting the farmers' varieties to be responsive rather than the hybrids. However, no defence induction was detected in this study so far. This could be explained by an insufficient production of defence inducing volatiles in leaves of D. intortum whereas flowers might produce a sufficient response. More detailed

  13. 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+.

  14. Chemically Derived Dense Alumina-Zirconia Composites for Improved Mechanical and Wear Erosion Properties

    NASA Technical Reports Server (NTRS)

    1998-01-01

    As a result of this funded project high purity Zirconia-Toughened Alumina (ZTA) ceramic powders with and without yttria were produced using metal alkoxide precursors. ZTA ceramic powders with varying volume percents of zirconia were prepared (7, 15, and 22%). Aluminum tri-sec butoxide, zirconium propoxide, and yttrium isopropoxide were the reagents used. Synthesis conditions were varied to control the hydrolysis and the aging conditions for the sol to gel transition. FTIR analysis and rheological characterization were used to follow the structural evolution during the sol to gel transition. The greater extent of hydrolysis and the build-up of structure measured from viscoelastic properties were consistent. Heat treatment was conducted to produce submicron grain fully crystalline ZTA ceramic powders. This improved materials should have enhanced properties such strength, toughness, and wear resistance for advanced structural applications, for example engine components in high technology aerospace applications.

  15. 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.

  16. 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.

  17. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    NASA Astrophysics Data System (ADS)

    Zhou, C.; Zhang, X.; Gong, S.; Wang, Y.; Xue, M.

    2016-01-01

    A comprehensive aerosol-cloud-precipitation interaction (ACI) scheme has been developed under a China Meteorological Administration (CMA) chemical weather modeling system, GRAPES/CUACE (Global/Regional Assimilation and PrEdiction System, CMA Unified Atmospheric Chemistry Environment). Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN) are interactively fed online into a two-moment cloud scheme (WRF Double-Moment 6-class scheme - WDM6) and a convective parameterization to drive cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred.

    The results show that aerosols that interact with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content, and cloud droplet number concentrations, while decreasing the mean diameters of cloud droplets with varying magnitudes of the changes in each case and region. These interactive microphysical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48 % enhancements of threat score for 6 h precipitation in almost all regions. The aerosols that interact with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  18. IMPROVED BIOREFINERY FOR THE PRODUCTION OF ETHANOL, CHEMICALS, ANIMAL FEED AND BIOMATERIALS FROM SUGAR CANE

    SciTech Connect

    Dr. Donal F. Day

    2009-01-29

    The Audubon Sugar Institute (ASI) of Louisiana State University’s Agricultural Center (LSU AgCenter) and MBI International (MBI) sought to develop technologies that will lead to the development of a sugar-cane biorefinery, capable of supplying fuel ethanol from bagasse. Technology development focused on the conversion of bagasse, cane-leaf matter (CLM) and molasses into high value-added products that included ethanol, specialty chemicals, biomaterials and animal feed; i.e. a sugar cane-based biorefinery. The key to lignocellulosic biomass utilization is an economically feasible method (pretreatment) for separating the cellulose and the hemicellulose from the physical protection provided by lignin. An effective pretreatment disrupts physical barriers, cellulose crystallinity, and the association of lignin and hemicellulose with cellulose so that hydrolytic enzymes can access the biomass macrostructure (Teymouri et al. 2004, Laureano-Perez, 2005). We chose to focus on alkaline pretreatment methods for, and in particular, the Ammonia Fiber Expansion (AFEX) process owned by MBI. During the first two years of this program a laboratory process was established for the pretreatment of bagasse and CLM using the AFEX process. There was significant improvement of both rate and yield of glucose and xylose upon enzymatic hydrolysis of AFEX-treated bagasse and CLM compared with untreated material. Because of reactor size limitation, several other alkaline pretreatment methods were also co-investigated. They included, dilute ammonia, lime and hydroxy-hypochlorite treatments. Scale-up focused on using a dilute ammonia process as a substitute for AFEX, allowing development at a larger scale. The pretreatment of bagasse by an ammonia process, followed by saccharification and fermentation produced ethanol from bagasse. Simultaneous saccharification and fermentation (SSF) allowed two operations in the same vessel. The addition of sugarcane molasses to the hydrolysate

  19. On slide chemical modification as a means to improve confidence in protein identifications made by peptide mass finger prints

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The identification of proteins from large protein databases such as NCBInr using peptide mass finger prints (PMFs) obtained on a MALDI-TOF mass spectrometer continues to be a challenge. A strategy that can be used to improve confidence in these identifications is to carry out some form of chemical ...

  20. Improving the Risk Assessment of Persistent, Bioaccumulative, and Toxic (PBT) Chemicals in Breast Milk: Workshop Summary Report

    EPA Science Inventory

    This report provides a summary of discussions held at an EPA-sponsored workshop in Research Triangle Park, NC in October, 2012. Workshop participants discussed approaches to improve risk assessment of PBT chemicals in breast milk, data gaps, uncertainties, and suggested solutions...

  1. 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.

  2. 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.

  3. Process improvement to the inspection readiness plan in chemical weapons convention challenge inspections. Master`s thesis

    SciTech Connect

    Triplett, W.M.

    1997-09-01

    This thesis identified current Information Technology initiatives to help improve the Navy`s Inspection Readiness Plan for Chemical Warfare Convention (CWC) Challenge Inspection. The CWC is an intensive inspection. The Challenge Inspection allows for a team of international inspectors to inspect a naval facility suspected of violating the CWC on very short notice. This thesis begins with a review of the CWC Challenge Inspection timeline. It then describes the Navy`s Inspection Readiness Plan for CWC Challenge Inspections as well as the Navy Tiger Team that is sent to naval facilities to assist the Commanding Officer and base personnel during inspections. One of the initiatives evaluated by this analysis is the use of videoconferencing. To ascertain the feasibility of using videoconferencing in the CWC Challenge Inspection process, this thesis reviews the current videoconferencing systems and standards, and the results of a questionnaire that was sent to various naval commands. This thesis concludes with recommendations for inclusion of videoconferencing and various other Information Technology initiatives in the CWC Challenge Inspection process.

  4. Gas Chromatography Coupled to Atmospheric Pressure Chemical Ionization FT-ICR Mass Spectrometry for Improvement of Data Reliability.

    PubMed

    Schwemer, Theo; Rüger, Christopher P; Sklorz, Martin; Zimmermann, Ralf

    2015-12-15

    Atmospheric pressure chemical ionization (APCI) offers the advantage of molecular ion information with low fragmentation. Hyphenating APCI to gas chromatography (GC) and ultrahigh resolution mass spectrometry (FT-ICR MS) enables an improved characterization of complex mixtures. Data amounts acquired by this system are very huge, and existing peak picking algorithms are usually extremely time-consuming, if both gas chromatographic and ultrahigh resolution mass spectrometric data are concerned. Therefore, automatic routines are developed that are capable of handling these data sets and further allow the identification and removal of known ionization artifacts (e.g., water- and oxygen-adducts, demethylation, dehydrogenation, and decarboxylation). Furthermore, the data quality is enhanced by the prediction of an estimated retention index, which is calculated simply from exact mass data combined with a double bond equivalent correction. This retention index is used to identify mismatched elemental compositions. The approach was successfully tested for analysis of semivolatile components in heavy fuel oil and diesel fuel as well as primary combustion particles emitted by a ship diesel research engine. As a result, 10-28% of the detected compounds, mainly low abundant species, classically assigned by using only the mass spectrometric information, were identified as not valid and removed. Although GC separation is limited by the slow acquisition rate of the FT-ICR MS (<1 Hz), a database driven retention time comparison, as commonly used for low resolution GC/MS, can be applied for revealing isomeric information. PMID:26560682

  5. An Analysis of an Improved Bus-Based Multiprocessor Architecture

    NASA Technical Reports Server (NTRS)

    Ricks, Kenneth G.; Wells, B. Earl

    1998-01-01

    This paper analyses the effectiveness of a hybrid multiprocessing/multicomputing architecture that is based upon a single-board-computer multiprocessor (SBCM) architecture. Based upon empirical analysis using discrete event simulations and Monte Carlo techniques, this hybrid architecture, called the enhanced single-board-computer multiprocessor (ESBCM), is shown to have improved performance and scalability characteristics over current SBCM designs.

  6. Social Judgment Analysis: Methodology for Improving Interpersonal Communication and Understanding.

    ERIC Educational Resources Information Center

    Rohrbaugh, John; Harmon, Joel

    Research has found the Social Judgment Analysis (SJA) approach, with its focus on judgment policy and cognitive feedback, to be a significant factor in developing group member agreement and improving member performance. A controlled experiment was designed to assess the relative quality of the judgment making process provided by SJA.…

  7. SPAR improved structure-fluid dynamic analysis capability, phase 2

    NASA Technical Reports Server (NTRS)

    Pearson, M. L.

    1984-01-01

    An efficient and general method of analyzing a coupled dynamic system of fluid flow and elastic structures is investigated. The improvement of Structural Performance Analysis and Redesign (SPAR) code is summarized. All error codes are documented and the SPAR processor/subroutine cross reference is included.

  8. IMPROVED FAST GAS CHROMATOGRAPHY FOR FAME ANALYSIS OF BACTERIA

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Bacteria are frequently identified by fatty acid analysis. We previously reported on methods to speed up sample preparation and gas chromatography, resulting in greatly improved speed and throughput (Buyer, 2002). In this paper we demonstrate that further reductions in chromatographic retention time...

  9. An Improved Qualitative Analysis Procedure for Aluminum Subgroup Cations.

    ERIC Educational Resources Information Center

    Kistner, C. R.; Robinson, Patricia J.

    1983-01-01

    Describes a procedure for the qualitative analysis of aluminum subgroup cations designed to avoid failure to obtain lead or barium chromate precipitates or failure to report aluminum hydroxide when present (due to staining). Provides a flow chart and step-by-step explanation for the new procedure, indicating significantly improved student results.…

  10. Improving the Discipline of Cost Estimation and Analysis

    NASA Technical Reports Server (NTRS)

    Piland, William M.; Pine, David J.; Wilson, Delano M.

    2000-01-01

    The need to improve the quality and accuracy of cost estimates of proposed new aerospace systems has been widely recognized. The industry has done the best job of maintaining related capability with improvements in estimation methods and giving appropriate priority to the hiring and training of qualified analysts. Some parts of Government, and National Aeronautics and Space Administration (NASA) in particular, continue to need major improvements in this area. Recently, NASA recognized that its cost estimation and analysis capabilities had eroded to the point that the ability to provide timely, reliable estimates was impacting the confidence in planning man), program activities. As a result, this year the Agency established a lead role for cost estimation and analysis. The Independent Program Assessment Office located at the Langley Research Center was given this responsibility.

  11. 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.

  12. Analysis of biological and chemical compounds by remote spectroscopy using IR TeX glass fibers

    NASA Astrophysics Data System (ADS)

    Le Foulgoc, Karine; Le Neindre, Lydia; Guimond, Yann; Ma, Hong Li; Zhang, Xhang H.; Lucas, Jacques

    1995-09-01

    The TeX glasses are attracting much attention as materials for low loss mid-IR optical fibers and are consequently good candidates for thermal imaging, laser power delivery, and more recently remote sensing. The TeX glass fiber, transmitting in a wide optical window, has a minimum attenuation in the 9-10 micrometers region. Fibers with an attenuation of less than 0.5 dB/m have been repeatly obtained. These fibers are coated with a UV curable or thermal plastic, in order to improve their mechanical properites. The IR remote spectroscopy using TeX fibers is one of the most promising applications. This technology allows to perform in situ, real-time, and on-line analysis of chemical and biological compounds. The study of industrial processes such as fermentations has been performed by this method, based on the use of these IR TeX fibers.

  13. 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...

  14. 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

  15. 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…

  16. 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…

  17. 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.

  18. Improved reliability analysis method based on the failure assessment diagram

    NASA Astrophysics Data System (ADS)

    Zhou, Yu; Zhang, Zheng; Zhong, Qunpeng

    2012-07-01

    With the uncertainties related to operating conditions, in-service non-destructive testing (NDT) measurements and material properties considered in the structural integrity assessment, probabilistic analysis based on the failure assessment diagram (FAD) approach has recently become an important concern. However, the point density revealing the probabilistic distribution characteristics of the assessment points is usually ignored. To obtain more detailed and direct knowledge from the reliability analysis, an improved probabilistic fracture mechanics (PFM) assessment method is proposed. By integrating 2D kernel density estimation (KDE) technology into the traditional probabilistic assessment, the probabilistic density of the randomly distributed assessment points is visualized in the assessment diagram. Moreover, a modified interval sensitivity analysis is implemented and compared with probabilistic sensitivity analysis. The improved reliability analysis method is applied to the assessment of a high pressure pipe containing an axial internal semi-elliptical surface crack. The results indicate that these two methods can give consistent sensitivities of input parameters, but the interval sensitivity analysis is computationally more efficient. Meanwhile, the point density distribution and its contour are plotted in the FAD, thereby better revealing the characteristics of PFM assessment. This study provides a powerful tool for the reliability analysis of critical structures.

  19. Fluorescence, XPS, and TOF-SIMS surface chemical state image analysis of DNA microarrays.

    PubMed

    Lee, Chi-Ying; Harbers, Gregory M; Grainger, David W; Gamble, Lara J; Castner, David G

    2007-08-01

    Performance improvements in DNA-modified surfaces required for microarray and biosensor applications rely on improved capabilities to accurately characterize the chemistry and structure of immobilized DNA molecules on micropatterned surfaces. Recent innovations in imaging X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) now permit more detailed studies of micropatterned surfaces. We have exploited the complementary information provided by imaging XPS and imaging TOF-SIMS to detail the chemical composition, spatial distribution, and hybridization efficiency of amine-terminated single-stranded DNA (ssDNA) bound to commercial polyacrylamide-based, amine-reactive microarray slides, immobilized in both macrospot and microarray diagnostic formats. Combinations of XPS imaging and small spot analysis were used to identify micropatterned DNA spots within printed DNA arrays on slide surfaces and quantify DNA elements within individual microarray spots for determination of probe immobilization and hybridization efficiencies. This represents the first report of imaging XPS of DNA immobilization and hybridization efficiencies for arrays fabricated on commercial microarray slides. Imaging TOF-SIMS provided distinct analytical data on the lateral distribution of DNA within single array microspots before and after target hybridization. Principal component analysis (PCA) applied to TOF-SIMS imaging datasets demonstrated that the combination of these two techniques provides information not readily observable in TOF-SIMS images alone, particularly in identifying species associated with array spot nonuniformities (e.g., "halo" or "donut" effects often observed in fluorescence images). Chemically specific spot images were compared to conventional fluorescence scanned images in microarrays to provide new information on spot-to-spot DNA variations that affect current diagnostic reliability, assay variance, and sensitivity. PMID:17625851

  20. Spectral analysis of walking improvement utilizing AR modeling.

    PubMed

    Tsuruoka, Masako; Tsuruoka, Yuriko

    2008-01-01

    This study analyzes the walking improvement based on 1/f fluctuations and impulse responses utilizing Auto-Regressive (AR) modeling. Once subjects were aware of the correct posture, the fluctuation of subject's both sides of the hip while walking was improved more rhythmic. The analysis of impulse response utilizing AR modeling provided clear results for the evaluation of improvement to walking stability. After the subjects understood their own walking condition, based on 1/f fluctuation, and had received suitable rehabilitation and shoes, their walking stability improved satisfactorily. This study provides a useful method of medical evaluation in rehabilitation and physical fitness, and a means for subjects to maintain a state of well being. PMID:19163860

  1. Improving the physico-chemical and sensory characteristics of camel meat burger patties using ginger extract and papain.

    PubMed

    Abdel-Naeem, Heba H S; Mohamed, Hussein M H

    2016-08-01

    The objective of the current study was to include tenderizing agents in the formulation of camel meat burger patties to improve the physico-chemical and sensory characteristics of the product. Camel meat burger patties were processed with addition of ginger extract (7%), papain (0.01%) and mixture of ginger extract (5%) and papain (0.005%) in addition to control. Addition of ginger, papain and their mixture resulted in significant (P<0.05) increase of the collagen solubility and sensory scores (juiciness, tenderness and overall acceptability) with significant (P<0.05) reduction of the shear force values. Ginger extract resulted in extensive fragmentation of myofibrils; however, papain extract caused noticeable destructive effect on connective tissue. Moreover, ginger and papain resulted in improvement of the lipid stability of treated burger patties during storage. Therefore, addition of ginger extract and papain powder during formulation of camel burger patties can improve their physico-chemical and sensory properties. PMID:27045253

  2. Improving food safety within the dairy chain: an application of conjoint analysis.

    PubMed

    Valeeva, N I; Meuwissen, M P M; Lansink, A G J M Oude; Huirne, R B M

    2005-04-01

    This study determined the relative importance of attributes of food safety improvement in the production chain of fluid pasteurized milk. The chain was divided into 4 blocks: "feed" (compound feed production and its transport), "farm" (dairy farm), "dairy processing" (transport and processing of raw milk, delivery of pasteurized milk), and "consumer" (retailer/catering establishment and pasteurized milk consumption). The concept of food safety improvement focused on 2 main groups of hazards: chemical (antibiotics and dioxin) and microbiological (Salmonella, Escherichia coli, Mycobacterium paratuberculosis, and Staphylococcus aureus). Adaptive conjoint analysis was used to investigate food safety experts' perceptions of the attributes' importance. Preference data from individual experts (n = 24) on 101 attributes along the chain were collected in a computer-interactive mode. Experts perceived the attributes from the "feed" and "farm" blocks as being more vital for controlling the chemical hazards; whereas the attributes from the "farm" and "dairy processing" were considered more vital for controlling the microbiological hazards. For the chemical hazards, "identification of treated cows" and "quality assurance system of compound feed manufacturers" were considered the most important attributes. For the microbiological hazards, these were "manure supply source" and "action in salmonellosis and M. paratuberculosis cases". The rather high importance of attributes relating to quality assurance and traceability systems of the chain participants indicates that participants look for food safety assurance from the preceding participants. This information has substantial decision-making implications for private businesses along the chain and for the government regarding the food safety improvement of fluid pasteurized milk. PMID:15778330

  3. 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

  4. 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.

  5. Using Operational Analysis to Improve Access to Pulmonary Function Testing.

    PubMed

    Ip, Ada; Asamoah-Barnieh, Raymond; Bischak, Diane P; Davidson, Warren J; Flemons, W Ward; Pendharkar, Sachin R

    2016-01-01

    Background. Timely pulmonary function testing is crucial to improving diagnosis and treatment of pulmonary diseases. Perceptions of poor access at an academic pulmonary function laboratory prompted analysis of system demand and capacity to identify factors contributing to poor access. Methods. Surveys and interviews identified stakeholder perspectives on operational processes and access challenges. Retrospective data on testing demand and resource capacity was analyzed to understand utilization of testing resources. Results. Qualitative analysis demonstrated that stakeholder groups had discrepant views on access and capacity in the laboratory. Mean daily resource utilization was 0.64 (SD 0.15), with monthly average utilization consistently less than 0.75. Reserved testing slots for subspecialty clinics were poorly utilized, leaving many testing slots unfilled. When subspecialty demand exceeded number of reserved slots, there was sufficient capacity in the pulmonary function schedule to accommodate added demand. Findings were shared with stakeholders and influenced scheduling process improvements. Conclusion. This study highlights the importance of operational data to identify causes of poor access, guide system decision-making, and determine effects of improvement initiatives in a variety of healthcare settings. Importantly, simple operational analysis can help to improve efficiency of health systems with little or no added financial investment. PMID:27445545

  6. Using Operational Analysis to Improve Access to Pulmonary Function Testing

    PubMed Central

    Ip, Ada; Asamoah-Barnieh, Raymond; Bischak, Diane P.; Davidson, Warren J.; Flemons, W. Ward; Pendharkar, Sachin R.

    2016-01-01

    Background. Timely pulmonary function testing is crucial to improving diagnosis and treatment of pulmonary diseases. Perceptions of poor access at an academic pulmonary function laboratory prompted analysis of system demand and capacity to identify factors contributing to poor access. Methods. Surveys and interviews identified stakeholder perspectives on operational processes and access challenges. Retrospective data on testing demand and resource capacity was analyzed to understand utilization of testing resources. Results. Qualitative analysis demonstrated that stakeholder groups had discrepant views on access and capacity in the laboratory. Mean daily resource utilization was 0.64 (SD 0.15), with monthly average utilization consistently less than 0.75. Reserved testing slots for subspecialty clinics were poorly utilized, leaving many testing slots unfilled. When subspecialty demand exceeded number of reserved slots, there was sufficient capacity in the pulmonary function schedule to accommodate added demand. Findings were shared with stakeholders and influenced scheduling process improvements. Conclusion. This study highlights the importance of operational data to identify causes of poor access, guide system decision-making, and determine effects of improvement initiatives in a variety of healthcare settings. Importantly, simple operational analysis can help to improve efficiency of health systems with little or no added financial investment. PMID:27445545

  7. An Improved Experiment to Illustrate the Effect of Electronegativity on Chemical Shift.

    ERIC Educational Resources Information Center

    Boggess, Robert K.

    1988-01-01

    Describes a method for using nuclear magnetic resonance to observe the effect of electronegativity on the chemical shift of protons in similar compounds. Suggests the use of 1,3-dihalopropanes as samples. Includes sample questions. (MVL)

  8. 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.

  9. Rohm and Haas: Furnace Replacement Project Saves Energy and Improves Production at a Chemical Plant

    SciTech Connect

    2006-02-01

    This DOE Industrial Technologies Program spotlight describes how Rohm and Haas’s Deer Park, Texas, chemical plant reduced natural gas usage and energy costs by replacing inefficient furnace equipment.

  10. Improving the assessment of endocrine disrupting chemical (EDC) effects on puberty

    EPA Science Inventory

    During puberty, key developmental events occur that are critical for normal adult male and female reproductive maturation. Recent studies raised concern that exposure to environmental chemicals alter the normal progression through puberty and lead to impaired reproductive functio...

  11. Prospects for improved detection of chemical, biological, radiological, and nuclear threats

    SciTech Connect

    Wuest, Craig R.; Hart, Brad; Slezak, Thomas R.

    2012-07-31

    Acquisition and use of Chemical, Biological, Radiological, and Nuclear (CBRN) weapons continue to be a major focus of concern form the security apparatus of nation states because of their potential for mass casualties when used by a determined adversary.

  12. 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.

  13. Core analysis and CT imaging improve shale completions

    SciTech Connect

    Blauch, M.E.; Venditto, J.J. ); Rothman, E.; Hyde, P. )

    1992-11-16

    To improve hydraulic fracturing efficiency in Devonian shales, core analysis and computerized tomography (CT) can provide data for orienting perforations, determining fracture direction, and selecting deviated well trajectories. This article reports on technology tested in a West Virginia well for improving the economics of developing Devonian shale and other low permeability gas reservoirs. With slight production increase per well, Columbia Natural Resources Inc. (CNR) has determined that marginal gas well payout time can be shortened enough to encourage additional drilling. For eight wells completed by CNR in 1992, the absolute open flow (AOF) averaged 116 Mcfd before stimulation. After stimulation using long-standing fracture stimulation procedures, the AOF averaged 500 Mcfd.

  14. Improvements of Functional Validation by Analysis of Operational Problems

    NASA Astrophysics Data System (ADS)

    Di Nisio, Nicola; Reggestad, Vemund; Fuchs, Joachim

    2015-09-01

    As part of the TRP study “Improvements of Functional Validation by Analysis of Operational Problems”, we will explore the possibility of feeding the experience gained in the operational phase of a space mission into the design, development and verification phase of future missions. This paper will present the background of the problem and provide possible solutions that will be taken into account for the study. Also, a few examples of operational problems that could be used to improve the functional validation of future missions will be provided.

  15. 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

  16. 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

  17. 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

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

    NASA Astrophysics Data System (ADS)

    Esposito, Gaetano

    identifying sources of uncertainty affecting relevant reaction pathways are usually addressed by resorting to Global Sensitivity Analysis (GSA) techniques. In particular, the most sensitive reactions controlling combustion phenomena are first identified using the Morris Method and then analyzed under the Random Sampling -- High Dimensional Model Representation (RS-HDMR) framework. The HDMR decomposition shows that 10% of the variance seen in the extinction strain rate of non-premixed flames is due to second-order effects between parameters, whereas the maximum concentration of acetylene, a key soot precursor, is affected by mostly only first-order contributions. Moreover, the analysis of the global sensitivity indices demonstrates that improving the accuracy of the reaction rates including the vinyl radical, C2H3, can drastically reduce the uncertainty of predicting targeted flame properties. Finally, the back-propagation of the experimental uncertainty of the extinction strain rate to the parameter space is also performed. This exercise, achieved by recycling the numerical solutions of the RS-HDMR, shows that some regions of the parameter space have a high probability of reproducing the experimental value of the extinction strain rate between its own uncertainty bounds. Therefore this study demonstrates that the uncertainty analysis of bulk flame properties can effectively provide information on relevant chemical reactions.

  19. Impact pathway analysis: A tool for improving environmental decision processes

    SciTech Connect

    Rabl, A.; Peuportier, B.

    1995-09-01

    This paper proposes that, for installations with major health risks, it may be practical and desirable to demand that and environmental impact study demonstrate not only that the emissions respect all applicable regulations (as is current practice), but that it actually evaluate the impacts, using the impact pathway methodology (i.e., analyze the dispersion of pollutants and apply dose-response functions to quantify impacts on health, vegetation, etc.). As a case study the authors apply the impact pathway analysis to the emissions data for an incinerator of toxic chemical waste, and they obtain several interesting results that could resolve some of the issues raised during the authorization process. They argue that the uncertainties, even though large, do not negate the value of the information. The results of such an impact analysis could also be used to communicate the risks posed by a proposed installation, fi a generally accepted set of reference risks is developed.

  20. Chemical analysis and antihyperglycemic activity of an original extract from burdock root (Arctium lappa).

    PubMed

    Tousch, Didier; Bidel, Luc P R; Cazals, Guillaume; Ferrare, Karine; Leroy, Jeremy; Faucanié, Marie; Chevassus, Hugues; Tournier, Michel; Lajoix, Anne-Dominique; Azay-Milhau, Jacqueline

    2014-08-01

    In the present study, we obtained a dried burdock root extract (DBRE) rich in caffeoylquinic acids derivatives. We performed the chemical characterization of DBRE and explored its antihyperglycemic potential in both in vitro and in vivo experiments. Chemical analysis of DBRE using LC-MS and GC-MS revealed the presence of a great majority of dicaffeoylquinic acid derivatives (75.4%) of which 1,5-di-O-caffeoyl-4-O-maloylquinic acid represents 44% of the extract. In the in vitro experiments, DBRE is able to increase glucose uptake in cultured L6 myocytes and to decrease glucagon-induced glucose output from rat isolated hepatocytes together with a reduction of hepatic glucose 6-phosphatase activity. DBRE did not increase insulin secretion in the INS-1 pancreatic β-cell line. In vivo, DBRE improves glucose tolerance both after intraperitoneal and oral subchronic administration. In conclusion, our data demonstrate that DBRE constitutes an original set of caffeoylquinic acid derivatives displaying antihyperglycemic properties. PMID:24933284

  1. Process Correlation Analysis Model for Process Improvement Identification

    PubMed Central

    Park, Sooyong

    2014-01-01

    Software process improvement aims at improving the development process of software systems. It is initiated by process assessment identifying strengths and weaknesses and based on the findings, improvement plans are developed. In general, a process reference model (e.g., CMMI) is used throughout the process of software process improvement as the base. CMMI defines a set of process areas involved in software development and what to be carried out in process areas in terms of goals and practices. Process areas and their elements (goals and practices) are often correlated due to the iterative nature of software development process. However, in the current practice, correlations of process elements are often overlooked in the development of an improvement plan, which diminishes the efficiency of the plan. This is mainly attributed to significant efforts and the lack of required expertise. In this paper, we present a process correlation analysis model that helps identify correlations of process elements from the results of process assessment. This model is defined based on CMMI and empirical data of improvement practices. We evaluate the model using industrial data. PMID:24977170

  2. 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,…

  3. 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.

  4. 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...

  5. 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

  6. Biosensors for the analysis of microbiological and chemical contaminants in food.

    PubMed

    McGrath, T F; Elliott, C T; Fodey, T L

    2012-04-01

    Increases in food production and the ever-present threat of food contamination from microbiological and chemical sources have led the food industry and regulators to pursue rapid, inexpensive methods of analysis to safeguard the health and safety of the consumer. Although sophisticated techniques such as chromatography and spectrometry provide more accurate and conclusive results, screening tests allow a much higher throughput of samples at a lower cost and with less operator training, so larger numbers of samples can be analysed. Biosensors combine a biological recognition element (enzyme, antibody, receptor) with a transducer to produce a measurable signal proportional to the extent of interaction between the recognition element and the analyte. The different uses of the biosensing instrumentation available today are extremely varied, with food analysis as an emerging and growing application. The advantages offered by biosensors over other screening methods such as radioimmunoassay, enzyme-linked immunosorbent assay, fluorescence immunoassay and luminescence immunoassay, with respect to food analysis, include automation, improved reproducibility, speed of analysis and real-time analysis. This article will provide a brief footing in history before reviewing the latest developments in biosensor applications for analysis of food contaminants (January 2007 to December 2010), focusing on the detection of pathogens, toxins, pesticides and veterinary drug residues by biosensors, with emphasis on articles showing data in food matrices. The main areas of development common to these groups of contaminants include multiplexing, the ability to simultaneously analyse a sample for more than one contaminant and portability. Biosensors currently have an important role in food safety; further advances in the technology, reagents and sample handling will surely reinforce this position. PMID:22278073

  7. Improvements in antenna coupling path algorithms for aircraft EMC analysis

    NASA Astrophysics Data System (ADS)

    Bogusz, Michael; Kibina, Stanley J.

    The algorithms to calculate and display the path of maximum electromagnetic interference coupling along the perfectly conducting surface of a frustrum cone model of an aircraft nose are developed and revised for the Aircraft Inter-Antenna Propagation with Graphics (AAPG) electromagnetic compatibility analysis code. Analysis of the coupling problem geometry on the frustrum cone model and representative numerical test cases reveal how the revised algorithms are more accurate than their predecessors. These improvements in accuracy and their impact on realistic aircraft electromagnetic compatibility problems are outlined.

  8. Improved magnetic field analysis of induction motor models

    SciTech Connect

    Enokizono, Masato; Sadanaga, Yuichiro

    1998-09-01

    This paper presents an improved magnetic field analysis for induction motor models. In the analysis with the conventional numerical modeling of magnetic materials, the vector relations between the flux density and the field intensity under a rotating field cannot be expressed exactly. In this paper, the authors derived the tensor magnetic reluctivity from the data measured with two-dimensional measurement method. This expression is applied to analyze a three-phase induction motor model core. The examples show that the calculated results obtained by the new method are different from those of the conventional modeling.

  9. How Root Cause Analysis Can Improve the Value Methodology

    SciTech Connect

    Wixson, J. R.

    2002-02-05

    Root cause analysis (RCA) is an important methodology that can be integrated with the VE Job Plan to generate superior results from the VE Methodology. The point at which RCA is most appropriate is after the function analysis and FAST Model have been built and functions for improvement have been chosen. These functions are then subjected to a simple, but, rigorous RCA to get to the root cause of their deficiencies, whether it is high cost/poor value, poor quality, or poor reliability. Once the most probable causes for these problems have been arrived at, better solutions for improvement can be developed in the creativity phase because the team better understands the problems associated with these functions.

  10. How Root Cause Analysis Can Improve the Value Methodology

    SciTech Connect

    Wixson, James Robert

    2002-05-01

    Root cause analysis (RCA) is an important methodology that can be integrated with the VE Job Plan to generate superior results from the VE Methodology. The point at which RCA is most appropriate is after the function analysis and FAST Model have been built and functions for improvement have been chosen. These functions are then subjected to a simple, but, rigorous RCA to get to the root cause of their deficiencies, whether it is high cost/poor value, poor quality, or poor reliability. Once the most probable causes for these problems have been arrived at, better solutions for improvement can be developed in the creativity phase because the team better understands the problems associated with these functions.

  11. Improved biliary detection and diagnosis through intelligent machine analysis.

    PubMed

    Logeswaran, Rajasvaran

    2012-09-01

    This paper reports on work undertaken to improve automated detection of bile ducts in magnetic resonance cholangiopancreatography (MRCP) images, with the objective of conducting preliminary classification of the images for diagnosis. The proposed I-BDeDIMA (Improved Biliary Detection and Diagnosis through Intelligent Machine Analysis) scheme is a multi-stage framework consisting of successive phases of image normalization, denoising, structure identification, object labeling, feature selection and disease classification. A combination of multiresolution wavelet, dynamic intensity thresholding, segment-based region growing, region elimination, statistical analysis and neural networks, is used in this framework to achieve good structure detection and preliminary diagnosis. Tests conducted on over 200 clinical images with known diagnosis have shown promising results of over 90% accuracy. The scheme outperforms related work in the literature, making it a viable framework for computer-aided diagnosis of biliary diseases. PMID:21194781

  12. Improved spectral analysis for the motional Stark effect diagnostica)

    NASA Astrophysics Data System (ADS)

    Ko, J.; Klabacha, J.

    2012-10-01

    The magnetic pitch angle and the magnitude from reversed field pinch plasmas in the Madison symmetric torus (MST) have been routinely obtained from fully resolved motional Stark effect (MSE) spectrum analyses. Recently, the spectrum fit procedure has been improved by initializing and constraining the fit parameters based on the MSE model in the atomic data and analysis structure. A collisional-radiative model with level populations nlm-resolved up to n = 4 and a simple Born approximation for ion-impact cross sections is used for this analysis. Measurement uncertainty is quantified by making MSE measurements with multiple views of a single spatial location, ranging 5%-15% for typical MST operation conditions. A multi-view fit improves the goodness of fit of MSE spectral features and background.

  13. Improved methods of vibration analysis of pretwisted, airfoil blades

    NASA Technical Reports Server (NTRS)

    Subrahmanyam, K. B.; Kaza, K. R. V.

    1984-01-01

    Vibration analysis of pretwisted blades of asymmetric airfoil cross section is performed by using two mixed variational approaches. Numerical results obtained from these two methods are compared to those obtained from an improved finite difference method and also to those given by the ordinary finite difference method. The relative merits, convergence properties and accuracies of all four methods are studied and discussed. The effects of asymmetry and pretwist on natural frequencies and mode shapes are investigated. The improved finite difference method is shown to be far superior to the conventional finite difference method in several respects. Close lower bound solutions are provided by the improved finite difference method for untwisted blades with a relatively coarse mesh while the mixed methods have not indicated any specific bound.

  14. Improved Conjunction Analysis via Collaborative Space Situational Awareness

    NASA Astrophysics Data System (ADS)

    Kelso, T. S.; Vallado, D.; Chan, J.; Buckwalter, B.

    2009-03-01

    Satellite operators are becoming increasingly aware of the threat of on-orbit collisions—between satellites or with orbital debris. Successful conjunction monitoring and collision avoidance activities require accurate orbital information for as many space objects as possible. Current sources of orbital data are of low fidelity, as a result of how those data are generated, and are of limited value to conjunction analysis. However, satellite operators have much better data for their own satellites. When that data is shared among operators, overall space situational awareness can be significantly improved. This paper will demonstrate the potential improvements and discuss an operational implementation— SOCRATES-GEO—which uses operator data to improve conjunction monitoring.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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…

  1. 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. -...

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Improved field emission stability from single-walled carbon nanotubes chemically attached to silicon

    PubMed Central

    2012-01-01

    Here, we demonstrate the simple fabrication of a single-walled carbon nanotube (SWCNT) field emission electrode which shows excellent field emission characteristics and remarkable field emission stability without requiring posttreatment. Chemically functionalized SWCNTs were chemically attached to a silicon substrate. The chemical attachment led to vertical alignment of SWCNTs on the surface. Field emission sweeps and Fowler-Nordheim plots showed that the Si-SWCNT electrodes field emit with a low turn-on electric field of 1.5 V μm−1 and high electric field enhancement factor of 3,965. The Si-SWCNT electrodes were shown to maintain a current density of >740 μA cm−2 for 15 h with negligible change in applied voltage. The results indicate that adhesion strength between the SWCNTs and substrate is a much greater factor in field emission stability than previously reported. PMID:22853557

  7. Performance Objectives, Task Analysis, Learning Content, Content Limits, and Domain Referenced Tests for the Agricultural Chemicals Catalog. Final Report.

    ERIC Educational Resources Information Center

    Hamilton, William; And Others

    This document contains Indiana agricultural chemicals curriculum materials based on the Vocational-Technical Education Consortium of States (VTECS) Agricultural Chemicals Catalog. It is intended to improve preparation of high school and adult students for handling and using agricultural chemicals and for jobs as chemical salespersons or chemical…

  8. Imaginary chemical potential approach for the pseudocritical line in the QCD phase diagram with clover-improved Wilson fermions

    NASA Astrophysics Data System (ADS)

    Nagata, Keitaro; Nakamura, Atsushi

    2011-06-01

    The QCD phase diagram is studied in the lattice QCD simulation with the imaginary chemical potential approach. We employ a clover-improved Wilson fermion action of two flavors and a renormalization-group improved gauge action and perform the simulation at an intermediate quark mass on a 83×4 lattice. The QCD phase diagram in the imaginary chemical potential μI region is investigated by performing the simulation for more than 150 points on the (β,μI) plane. We find that the Roberge-Weiss phase transition at μI/T=π/3 is first order and its endpoint is second order, which are identified by the phase of the Polyakov loop. We determine the pseudocritical line from the susceptibility of the Polyakov loop modulus. We find a clear deviation from a linear dependence of the pseudocritical line on μI2.

  9. 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

  10. 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

  11. 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

  12. 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.

  13. An investigation of chemically-induced improvement in saturation moisture characteristics of epoxies

    NASA Technical Reports Server (NTRS)

    Singh, J. J.; St.clair, T. L.; Stoakley, D. M.

    1984-01-01

    MY-720/DDS epoxy samples were treated with three selected chemical compounds to render the active H-sites inactive for moisture absorption. Treating the epoxy castings with acetyl chloride and dichlorodimethyl silane leads only to surface changes indicating that these molecules are too large to penetrate the epoxy castings. Boron trifluoride, on the other hand, does penetrate the epoxy chain as is indicated by the formation of green domains in the interior of the castings. However, the process of saturating the specimens with moisture appears to leach out the chemical additives--thereby nullifying their possible ameliorative effects.

  14. Requirements Analysis for Future Satellite Gravity Mission Improved-GRACE

    NASA Astrophysics Data System (ADS)

    Zheng, Wei; Hsu, Houtse; Zhong, Min; Yun, Meijuan

    2014-09-01

    The Earth's gravitational field from the Next-Generation Gravimetry Mission (NGGM) and the Improved-Gravity Recovery and Climate Experiment (Improved-GRACE) complete up to degree and order 120 is recovered by a closed-loop numerical simulation using different orbital altitudes of 325 and 300 km, different orbital inclinations of 96.78° and 89° and different inter-satellite ranges of 10 and 50 km. The preferred orbit parameters of the future twin Improved-GRACE satellites are proposed based on the results of the simulations in this study. The research results show: (1) In order to achieve the scientific objectives, which require that the accuracy of the next-generation Earth gravity field models is at least one order of magnitude better than that of the current gravity models, the orbit design at an altitude of 300 ± 50 km is recommended for the future Improved-GRACE mission. This altitude is determined by a trade-off analysis between the recovery accuracy of the gravity field and the operational lifetime of the satellite system. (2) Because the accuracy of the Earth's gravitational field from NGGM with an orbital inclination of 96.78° will be decreased due to a lack of the observation data in the polar areas, we propose that a near-polar orbit (inclination of 89° ± 2°) is a preferable selection for the future twin Improved-GRACE satellites. (3) The future Improved-GRACE mission has to adopt an inter-satellite range of 50 ± 10 km, because the common signals of the Earth's gravitational field between the twin NGGM satellites will be substantially eliminated with a shorter inter-satellite range of 10 km. With these orbit design parameters, the Earth's gravitational field from the Improved-GRACE mission is precisely recovered complete up to degree and order 120 with a cumulative geoid height error of about 0.7 mm.

  15. Requirements Analysis for Future Satellite Gravity Mission Improved-GRACE

    NASA Astrophysics Data System (ADS)

    Zheng, Wei; Hsu, Houtse; Zhong, Min; Yun, Meijuan

    2015-01-01

    The Earth's gravitational field from the Next-Generation Gravimetry Mission (NGGM) and the Improved-Gravity Recovery and Climate Experiment (Improved-GRACE) complete up to degree and order 120 is recovered by a closed-loop numerical simulation using different orbital altitudes of 325 and 300 km, different orbital inclinations of 96.78° and 89° and different inter-satellite ranges of 10 and 50 km. The preferred orbit parameters of the future twin Improved-GRACE satellites are proposed based on the results of the simulations in this study. The research results show: (1) In order to achieve the scientific objectives, which require that the accuracy of the next-generation Earth gravity field models is at least one order of magnitude better than that of the current gravity models, the orbit design at an altitude of 300 ± 50 km is recommended for the future Improved-GRACE mission. This altitude is determined by a trade-off analysis between the recovery accuracy of the gravity field and the operational lifetime of the satellite system. (2) Because the accuracy of the Earth's gravitational field from NGGM with an orbital inclination of 96.78° will be decreased due to a lack of the observation data in the polar areas, we propose that a near-polar orbit (inclination of 89° ± 2°) is a preferable selection for the future twin Improved-GRACE satellites. (3) The future Improved-GRACE mission has to adopt an inter-satellite range of 50 ± 10 km, because the common signals of the Earth's gravitational field between the twin NGGM satellites will be substantially eliminated with a shorter inter-satellite range of 10 km. With these orbit design parameters, the Earth's gravitational field from the Improved-GRACE mission is precisely recovered complete up to degree and order 120 with a cumulative geoid height error of about 0.7 mm.

  16. 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)

  17. Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall.

    PubMed

    Lowe, Daniel M; O'Boyle, Noel M; Sayle, Roger A

    2016-01-01

    Awareness of the adverse effects of chemicals is important in biomedical research and healthcare. Text mining can allow timely and low-cost extraction of this knowledge from the biomedical literature. We extended our text mining solution, LeadMine, to identify diseases and chemical-induced disease relationships (CIDs). LeadMine is a dictionary/grammar-based entity recognizer and was used to recognize and normalize both chemicals and diseases to Medical Subject Headings (MeSH) IDs. The disease lexicon was obtained from three sources: MeSH, the Disease Ontology and Wikipedia. The Wikipedia dictionary was derived from pages with a disease/symptom box, or those where the page title appeared in the lexicon. Composite entities (e.g. heart and lung disease) were detected and mapped to their composite MeSH IDs. For CIDs, we developed a simple pattern-based system to find relationships within the same sentence. Our system was evaluated in the BioCreative V Chemical-Disease Relation task and achieved very good results for both disease concept ID recognition (F1-score: 86.12%) and CIDs (F1-score: 52.20%) on the test set. As our system was over an order of magnitude faster than other solutions evaluated on the task, we were able to apply the same system to the entirety of MEDLINE allowing us to extract a collection of over 250 000 distinct CIDs. PMID:27060160

  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. New class of thermosetting plastics has improved strength, thermal and chemical stability

    NASA Technical Reports Server (NTRS)

    Burns, E. A.; Dubrow, B.; Lubowitz, H. R.

    1967-01-01

    New class of thermosetting plastics has high hydrocarbon content, high stiffness, thermal stability, humidity resistance, and workability in the precured state. It is designated cyclized polydiene urethane, and is applicable as matrices to prepare chemically stable ablative materials for rocket nose cones of nozzles.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. Method Improvements in Thermal Analysis of Mach 10 Leading Edges

    NASA Technical Reports Server (NTRS)

    Amundsen, Ruth M.

    2001-01-01

    Several improvements have recently been made in the thermal analysis methods for leading edges of a hypersonic vehicle. The leading edges of this vehicle undergo exceptionally high heat loads that incorporate extreme spatial gradients as well as severe transients. Due to the varying flight conditions, complex geometry, and need for thermal loads at many points along the trajectory, full computational fluid dynamics (CFD) analysis of the aeroheating; loads is not feasible. Thus, engineering methods must be used to determine the aeroheating on the vehicle surfaces, and that must be utilized in the thermal analysis. Over the last year, the thermal analysis of a hypersonic vehicle has been enhanced in several ways. Two different engineering codes are used to predict aeroheating loads: one over the curve near the stagnation point, and the other on flat surfaces downstream of the leading edge. These two are matched together at the intersection point using a method that allows closer approximation of CFD results. User-developed FORTRAN, which is part of the thermal solver PATRAN Thermal, is used to accomplish this. The customizable FORTRAN code also allows use of many different time- and space-dependent factors, interpolation of the heat load in time and space, and inclusion of both highly swept and unswept grid structures. This FORTRAN is available to other PATRAN users who may want to accomplish a similar objective in analysis. Flux, rather than convective coefficient, is used to define heat loads, which allows more accurate analysis as well as better application of margins. Improvements have also been made in more efficient utilization of imported CAD geometry, by creating faces on solids to facilitate load application.

  6. INVESTIGATION OF ADVANCED THERMAL-CHEMICAL CONCEPTS FOR OBTAINING IMPROVED MSW-DERIVED PRODUCTS

    EPA Science Inventory

    Although a number of resource recovery from refuse programs have been effective, the quality of the products recovered could be enhanced to improve their marketability. The purpose of this study was to investigate the potential of known processes that could improve the quality of...

  7. Improved Methods for the Enrichment and Analysis of Glycated Peptides

    SciTech Connect

    Zhang, Qibin; Schepmoes, Athena A; Brock, Jonathan W; Wu, Si; Moore, Ronald J; Purvine, Samuel O; Baynes, John; Smith, Richard D; Metz, Thomas O

    2008-12-15

    Non-enzymatic glycation of tissue proteins has important implications in the development of complications of diabetes mellitus. Herein we report improved methods for the enrichment and analysis of glycated peptides using boronate affinity chromatography and electron transfer dissociation mass spectrometry, respectively. The enrichment of glycated peptides was improved by replacing an off-line desalting step with an on-line wash of column-bound glycated peptides using 50 mM ammonium acetate. The analysis of glycated peptides by MS/MS was improved by considering only higher charged (≥3) precursor-ions during data-dependent acquisition, which increased the number of glycated peptide identifications. Similarly, the use of supplemental collisional activation after electron transfer (ETcaD) resulted in more glycated peptide identifications when the MS survey scan was acquired with enhanced resolution. In general, acquiring ETD-MS/MS data at a normal MS survey scan rate, in conjunction with the rejection of both 1+ and 2+ precursor-ions, increased the number of identified glycated peptides relative to ETcaD or the enhanced MS survey scan rate. Finally, an evaluation of trypsin, Arg-C, and Lys-C showed that tryptic digestion of glycated proteins was comparable to digestion with Lys-C and that both were better than Arg-C in terms of the number glycated peptides identified by LC-MS/MS.

  8. 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.

  9. Data analysis of multi-laser standoff spectral identification of chemical and biological compounds

    NASA Astrophysics Data System (ADS)

    Farahi, R.; Zaharov, V.; Tetard, L.; Thundat, T.; Passian, A.

    2013-06-01

    With the availability of tunable broadband coherent sources that emit mid-infrared radiation with well-defined beam characteristics, spectroscopies that were traditionally not practical for standoff detection1 or for development of miniaturized infrared detectors2, 3 have renewed interest. While obtaining compositional information for objects from a distance remains a major challenge in chemical and biological sensing, recently we demonstrated that capitalizing on mid-infrared excitation of target molecules by using quantum cascade lasers and invoking a pump probe scheme can provide spectral fingerprints of substances from a variable standoff distance.3 However, the standoff data is typically associated with random fluctuations that can corrupt the fine spectral features and useful data. To process the data from standoff experiments toward better recognition we consider and apply two types of denoising techniques, namely, spectral analysis and Karhunen-Loeve Transform (KLT). Using these techniques, infrared spectral data have been effectively improved. The result of the analysis illustrates that KLT can be adapted as a powerful data denoising tool for the presented pump-probe infrared standoff spectroscopy.

  10. Data Analysis of Multi-Laser Standoff Spectral identification of chemical and biological compounds

    SciTech Connect

    Farahi, R H; Zaharov, Viktor; Tetard, Laurene; Thundat, Thomas George; Passian, Ali

    2013-01-01

    With the availability of tunable broadband coherent sources that emit mid-infrared radiation with well-defined beam characteristics, spectroscopies that were traditionally not practical for standoff detection1 or for develop- ment of miniaturized infrared detectors2, 3 have renewed interest. While obtaining compositional information for objects from a distance remains a major challenge in chemical and biological sensing, recently we demonstrated that capitalizing on mid-infrared excitation of target molecules by using quantum cascade lasers and invoking a pump probe scheme can provide spectral fingerprints of substances from a variable standoff distance.3 However, the standoff data is typically associated with random fluctuations that can corrupt the fine spectral features and useful data. To process the data from standoff experiments toward better recognition we consider and apply two types of denoising techniques, namely, spectral analysis and Karhunen-Loeve Transform (KLT). Using these techniques, infrared spectral data have been effectively improved. The result of the analysis illustrates that KLT can be adapted as a powerful data denoising tool for the presented pump-probe infrared standoff spectroscopy.

  11. Proposed Methodological Improvement in the Elucidation of Chemical Reaction Mechanisms Based on Chemist-Computer Interaction

    NASA Astrophysics Data System (ADS)

    Zeigarnik, Andrew V.; Valdés-Pérez, Raúl E.; White, Brian S.

    2000-02-01

    A recent book by Roald Hoffmann explains for a general audience the methods of chemistry. It includes a chapter on the experimental study of chemical reaction mechanisms, which accurately describes the methodological status quo. As an expository vehicle, the book cites a 1960s study of the photolysis of ethane notable for the simplicity of the chemistry and the crisp and surprising character of the experimental observations. We use Hoffmann's exposition and his colorful depiction of current methodological weaknesses to argue for a chemist-computer collaborative search for the simpler mechanistic hypotheses consistent with experiment. We have used this method elsewhere to make specialized chemical contributions that are uniquely enabled by the man-machine interaction. The methods can be useful in the classroom to teach the specific skills needed by mechanistic chemists.

  12. 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/...

  13. 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.

  14. 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.

  15. 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...

  16. 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

  17. An improved technique for the rapid chemical characterisation of bacterial terpene cyclases.

    PubMed

    Dickschat, Jeroen S; Pahirulzaman, Khomaizon A K; Rabe, Patrick; Klapschinski, Tim A

    2014-04-14

    A derivative of the pET28c(+) expression vector was constructed. It contains a yeast replication system (2μ origin of replication) and a yeast selectable marker (URA3), and can be used for gene cloning in yeast by efficient homologous recombination, and for heterologous expression in E. coli. The vector was used for the expression and chemical characterisation of three bacterial terpene cyclases. PMID:24573945

  18. Improved Aerodynamic Analysis for Hybrid Wing Body Conceptual Design Optimization

    NASA Technical Reports Server (NTRS)

    Gern, Frank H.

    2012-01-01

    This paper provides an overview of ongoing efforts to develop, evaluate, and validate different tools for improved aerodynamic modeling and systems analysis of Hybrid Wing Body (HWB) aircraft configurations. Results are being presented for the evaluation of different aerodynamic tools including panel methods, enhanced panel methods with viscous drag prediction, and computational fluid dynamics. Emphasis is placed on proper prediction of aerodynamic loads for structural sizing as well as viscous drag prediction to develop drag polars for HWB conceptual design optimization. Data from transonic wind tunnel tests at the Arnold Engineering Development Center s 16-Foot Transonic Tunnel was used as a reference data set in order to evaluate the accuracy of the aerodynamic tools. Triangularized surface data and Vehicle Sketch Pad (VSP) models of an X-48B 2% scale wind tunnel model were used to generate input and model files for the different analysis tools. In support of ongoing HWB scaling studies within the NASA Environmentally Responsible Aviation (ERA) program, an improved finite element based structural analysis and weight estimation tool for HWB center bodies is currently under development. Aerodynamic results from these analyses are used to provide additional aerodynamic validation data.

  19. Security Analysis and Improvements to the PsychoPass Method

    PubMed Central

    2013-01-01

    Background In a recent paper, Pietro Cipresso et al proposed the PsychoPass method, a simple way to create strong passwords that are easy to remember. However, the method has some security issues that need to be addressed. Objective To perform a security analysis on the PsychoPass method and outline the limitations of and possible improvements to the method. Methods We used the brute force analysis and dictionary attack analysis of the PsychoPass method to outline its weaknesses. Results The first issue with the Psychopass method is that it requires the password reproduction on the same keyboard layout as was used to generate the password. The second issue is a security weakness: although the produced password is 24 characters long, the password is still weak. We elaborate on the weakness and propose a solution that produces strong passwords. The proposed version first requires the use of the SHIFT and ALT-GR keys in combination with other keys, and second, the keys need to be 1-2 distances apart. Conclusions The proposed improved PsychoPass method yields passwords that can be broken only in hundreds of years based on current computing powers. The proposed PsychoPass method requires 10 keys, as opposed to 20 keys in the original method, for comparable password strength. PMID:23942458

  20. Spectral data analysis approaches for improved provenance classification

    NASA Astrophysics Data System (ADS)

    Sorauf, Kellen J.; Bauer, Amy J. R.; Miziolek, Andrzej W.; De Lucia, Frank C.

    2015-06-01

    In the last 10 years various chemometric methods have been developed and used for the analysis of spectra generated by Laser Induced Breakdown Spectroscopy (LIBS). One of the more successful and proven methods is Partial Least Squares Discriminant Analysis (PLS-DA). Recently PLS-DA was utilized for purposes of provenance of spent brass cartridges and achieved correct classification at around 93% with a false alarm rate of around 5%. The LIBS spectra from the cartridge samples are rich in emission lines from numerous mostly metallic elements comprising the brass and the cited results were based on the analysis of the full broadband high resolution spectra. It was observed that some of the lines were clearly saturated in all spectra, while others were sometimes saturated due to pulse-to-pulse variation. The pulse-to-pulse variation was also evident in the intensity variations of the spectra within cartridges and between cartridges. In order to improve on the accuracy of the classification we have developed some preprocessing strategies including the removal of spectral wavelength ranges susceptible to saturation and normalization techniques to diminish the effects of intensity variations in the spectra. The results indicate incremental improvements when applying additional preprocessing steps to the limit of 100% True Positives and 0% False Positives when utilizing selected wavelengths that are normalized and averaged.

  1. Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall

    PubMed Central

    Lowe, Daniel M.; O’Boyle, Noel M.; Sayle, Roger A.

    2016-01-01

    Awareness of the adverse effects of chemicals is important in biomedical research and healthcare. Text mining can allow timely and low-cost extraction of this knowledge from the biomedical literature. We extended our text mining solution, LeadMine, to identify diseases and chemical-induced disease relationships (CIDs). LeadMine is a dictionary/grammar-based entity recognizer and was used to recognize and normalize both chemicals and diseases to Medical Subject Headings (MeSH) IDs. The disease lexicon was obtained from three sources: MeSH, the Disease Ontology and Wikipedia. The Wikipedia dictionary was derived from pages with a disease/symptom box, or those where the page title appeared in the lexicon. Composite entities (e.g. heart and lung disease) were detected and mapped to their composite MeSH IDs. For CIDs, we developed a simple pattern-based system to find relationships within the same sentence. Our system was evaluated in the BioCreative V Chemical–Disease Relation task and achieved very good results for both disease concept ID recognition (F1-score: 86.12%) and CIDs (F1-score: 52.20%) on the test set. As our system was over an order of magnitude faster than other solutions evaluated on the task, we were able to apply the same system to the entirety of MEDLINE allowing us to extract a collection of over 250 000 distinct CIDs. PMID:27060160

  2. Chemical footprint method for improved communication of freshwater ecotoxicity impacts in the context of ecological limits.

    PubMed

    Bjørn, Anders; Diamond, Miriam; Birkved, Morten; Hauschild, Michael Zwicky

    2014-11-18

    The ecological footprint method has been successful in communicating environmental impacts of anthropogenic activities in the context of ecological limits. We introduce a chemical footprint method that expresses ecotoxicity impacts from anthropogenic chemical emissions as the dilution needed to avoid freshwater ecosystem damage. The indicator is based on USEtox characterization factors with a modified toxicity reference point. Chemical footprint results can be compared to the actual dilution capacity within the geographic vicinity receiving the emissions to estimate whether its ecological limit has been exceeded and hence whether emissions can be expected to be environmentally sustainable. The footprint method was illustrated using two case studies. The first was all inventoried emissions from European countries and selected metropolitan areas in 2004, which indicated that the dilution capacity was likely exceeded for most European countries and all landlocked metropolitan areas. The second case study indicated that peak application of pesticides alone was likely to exceed Denmark's freshwater dilution capacity in 1999-2011. The uncertainty assessment showed that better spatially differentiated fate factors would be useful and pointed out other major sources of uncertainty and some opportunities to reduce these. PMID:25347848

  3. Improved performance of the microbial electrolysis desalination and chemical-production cell using the stack structure.

    PubMed

    Chen, Shanshan; Liu, Guangli; Zhang, Renduo; Qin, Bangyu; Luo, Yong; Hou, Yanping

    2012-07-01

    The microbial electrolysis desalination and chemical-production cell (MEDCC) is a device to desalinate seawater, and produce acid and alkali. The objective of this study was to enhance the desalination and chemical-production performance of the MEDCC using two types of stack structure. Experiments were conducted with different membrane spacings, numbers of desalination chambers and applied voltages. Results showed that the stack construction in the MEDCC enhanced the desalination and chemical-production rates. The maximal desalination rate of 0.58 ± 0.02 mmol/h, which was 43% higher than that in the MEDCC, was achieved in the four-desalination-chamber MEDCC with the AEM-CEM stack structure and the membrane spacing of 1.5mm. The maximal acid- and alkali-production rates of 0.079 ± 0.006 and 0.13 ± 0.02 mmol/h, which were 46% and 8% higher than that in the MEDCC, respectively, were achieved in the two-desalination-chamber MEDCC with the BPM-AEM-CEM stack structure and the membrane spacing of 3mm. PMID:22608915

  4. Biomimetic, Mild Chemical Synthesis of CdTe-GSH Quantum Dots with Improved Biocompatibility

    PubMed Central

    Pérez-Donoso, José M.; Monrás, Juan P.; Bravo, Denisse; Aguirre, Adam; Quest, Andrew F.; Osorio-Román, Igor O.; Aroca, Ricardo F.; Chasteen, Thomas G.; Vásquez, Claudio C.

    2012-01-01

    Multiple applications of nanotechnology, especially those involving highly fluorescent nanoparticles (NPs) or quantum dots (QDs) have stimulated the research to develop simple, rapid and environmentally friendly protocols for synthesizing NPs exhibiting novel properties and increased biocompatibility. In this study, a simple protocol for the chemical synthesis of glutathione (GSH)-capped CdTe QDs (CdTe-GSH) resembling conditions found in biological systems is described. Using only CdCl2, K2TeO3 and GSH, highly fluorescent QDs were obtained under pH, temperature, buffer and oxygen conditions that allow microorganisms growth. These CdTe-GSH NPs displayed similar size, chemical composition, absorbance and fluorescence spectra and quantum yields as QDs synthesized using more complicated and expensive methods. CdTe QDs were not freely incorporated into eukaryotic cells thus favoring their biocompatibility and potential applications in biomedicine. In addition, NPs entry was facilitated by lipofectamine, resulting in intracellular fluorescence and a slight increase in cell death by necrosis. Toxicity of the as prepared CdTe QDs was lower than that observed with QDs produced by other chemical methods, probably as consequence of decreased levels of Cd+2 and higher amounts of GSH. We present here the simplest, fast and economical method for CdTe QDs synthesis described to date. Also, this biomimetic protocol favors NPs biocompatibility and helps to establish the basis for the development of new, “greener” methods to synthesize cadmium-containing QDs. PMID:22292028

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. Improved finite element methodology for integrated thermal structural analysis

    NASA Technical Reports Server (NTRS)

    Dechaumphai, P.; Thornton, E. A.

    1982-01-01

    An integrated thermal-structural finite element approach for efficient coupling of thermal and structural analyses is presented. New thermal finite elements which yield exact nodal and element temperature for one dimensional linear steady state heat transfer problems are developed. A nodeless variable formulation is used to establish improved thermal finite elements for one dimensional nonlinear transient and two dimensional linear transient heat transfer problems. The thermal finite elements provide detailed temperature distributions without using additional element nodes and permit a common discretization with lower order congruent structural finite elements. The accuracy of the integrated approach is evaluated by comparisons with analytical solutions and conventional finite element thermal-structural analyses for a number of academic and more realistic problems. Results indicate that the approach provides a significant improvement in the accuracy and efficiency of thermal stress analysis for structures with complex temperature distributions.

  10. 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

  11. Improving ozone forecasts over Europe by synergistic use of the LOTOS-EUROS chemical transport model and in-situ measurements

    NASA Astrophysics Data System (ADS)

    Curier, R. L.; Timmermans, R.; Calabretta-Jongen, S.; Eskes, H.; Segers, A.; Swart, D.; Schaap, M.

    2012-12-01

    In this paper we investigate the added value of assimilation of ozone in-situ measurements for both re-analysis and forecasting purposes. Various simulations were performed using the LOTOS-EUROS chemical transport model and an Ensemble Kalman Filter (EnKF) to assimilate measured ozone surface concentrations over Europe, for spring and summer of 2007. The results for the re-analysis of ozone show a significant improvement in the LOTOS-EUROS performance score when compared to measurements. The average correlation coefficient for the daily maximum ozone concentration improves from 0.72 to 0.83. Similarly, the average Root Mean Square Error (RMSE) for the daily maximum ozone concentration is reduced from 20.8 to 16.9 μg m-3. The free running model performs well in forecast mode and the agreement between in-situ and modeled ozone concentration is good. The average temporal correlation coefficient ranges from 0.62 for the first day forecast to 0.61 for the third day forecast. Based on these results, assimilated fields were used to initialize the forecast. As for the re-analysis a better comparison between model and observation was observed. The mean correlation coefficient increased by 0.07 and the averaged RMSE decreased by 0.65 μg m-3. However, the addition of an inheritance scheme to import additional information from the data assimilation to the forecast did not significantly improve the concentration fields.

  12. Improving Immunizations in Children: A Clinical Break-even Analysis

    PubMed Central

    Jones, Kyle Bradford; Spain, Chad; Wright, Hannah; Gren, Lisa H.

    2015-01-01

    Introduction Immunizing the population is a vital public health priority. This article describes a resident-led continuous quality improvement project to improve the immunization rates of children under 3 years of age at two urban family medicine residency clinics in Salt Lake City, Utah, as well as a break-even cost analysis to the clinics for the intervention. Methods Immunization records were distributed to provider-medical assistant teamlets daily for each pediatric patient scheduled in clinic to decrease missed opportunities. An outreach intervention by letter, followed by telephone call reminders, was conducted to reach children under 3 years of age who were behind on recommended immunizations for age (total n=457; those behind on immunizations n=101). Immunization rates were monitored at 3 months following start of intervention. A break-even analysis to the clinics for the outreach intervention was performed. Results Immunizations were improved from a baseline of 75.1% (n=133) and 79.6% (n=223) at the two clinics to 92.1% (n=163) and 89.6% (n=251), respectively, at 3 months following the start of intervention (P<0.01). The average revenue per immunization given was $81.57. The financial break-even point required 36 immunizations to be administered. Conclusion Significant improvement in the immunization rate of patients under 3 years of age at two family medicine residency training clinics was achieved through decreasing missed opportunities for immunization in clinic, and with outreach through letters and follow-up phone calls. The intervention showed positive revenue to both clinics. PMID:25380614

  13. 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.

  14. 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.

  15. 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.

  16. Greatly improved 3C-SiC p-n junction diodes grown by chemical vapor deposition

    NASA Technical Reports Server (NTRS)

    Neudeck, Philip G.; Larkin, David J.; Starr, Jonathan E.; Powell, J. A.; Salupo, Carl S.; Matus, Lawrence G.

    1993-01-01

    This paper reports the fabrication and initial electrical characterization of greatly improved 3C-SiC (beta-SiC) p-n junction diodes. These diodes, which were grown on commercially available 6H-SiC substrates by chemical vapor deposition, demonstrate rectification to -200 V at room temperature, representing a fourfold improvement in reported 3C-SiC diode blocking voltage. The reverse leakage currents and saturation current densities measured on these diodes also show significant improvement compared to previously reported 3C-SiC p-n junction diodes. When placed under sufficient forward bias, the diodes emit significantly bright green-yellow light. These results should lead to substantial advancements in 3C-SiC transistor performance.

  17. Vacuum Enhanced X-Ray Florescent Scanner Allows On-The-Spot Chemical Analysis

    NASA Technical Reports Server (NTRS)

    2004-01-01

    Teamed with KeyMaster Technologies, Kennewick, Washington, the Marshall Space Flight Center engineers have developed a portable vacuum analyzer that performs on-the-spot chemical analyses under field conditions- a task previously only possible in a chemical laboratory. The new capability is important not only to the aerospace industry, but holds potential for broad applications in any industry that depends on materials analysis, such as the automotive and pharmaceutical industries. Weighing in at a mere 4 pounds, the newly developed handheld vacuum X-ray fluorescent analyzer can identify and characterize a wide range of elements, and is capable of detecting chemical elements with low atomic numbers, such as sodium, aluminum and silicon. It is the only handheld product on the market with that capability. Aluminum alloy verification is of particular interest to NASA because vast amounts of high-strength aluminum alloys are used in the Space Shuttle propulsion system such as the External Tank, Main Engine, and Solid Rocket Boosters. This capability promises to be a boom to the aerospace community because of unique requirements, for instance, the need to analyze Space Shuttle propulsion systems on the launch pad. Those systems provide the awe-inspiring rocket power that propels the Space Shuttle from Earth into orbit in mere minutes. The scanner development also marks a major improvement in the quality assurance field, because screws, nuts, bolts, fasteners, and other items can now be evaluated upon receipt and rejected if found to be substandard. The same holds true for aluminum weld rods. The ability to validate the integrity of raw materials and partially finished products before adding value to them in the manufacturing process will be of benefit not only to businesses, but also to the consumer, who will have access to a higher value product at a cheaper price. Three vacuum X-ray scanners are already being used in the Space Shuttle Program. The External Tank

  18. Vacuum Enhanced X-Ray Florescent Scanner Allows On-The-Spot Chemical Analysis

    NASA Technical Reports Server (NTRS)

    2004-01-01

    Teamed with KeyMaster Technologies, Kennewick, Washington, the Marshall Space Flight Center engineers have developed a portable vacuum analyzer that performs on-the-spot chemical analyses under field conditions- a task previously only possible in a chemical laboratory. The new capability is important not only to the aerospace industry, but holds potential for broad applications in any industry that depends on materials analysis, such as the automotive and pharmaceutical industries. Weighing in at a mere 4 pounds, the newly developed handheld vacuum X-ray fluorescent analyzer can identify and characterize a wide range of elements, and is capable of detecting chemical elements with low atomic numbers, such as sodium, aluminum and silicon. It is the only handheld product on the market with that capability. Aluminum alloy verification is of particular interest to NASA because vast amounts of high-strength aluminum alloys are used in the Space Shuttle propulsion system such as the External Tank, Main Engine, and Solid Rocket Boosters. This capability promises to be a boom to the aerospace community because of unique requirements, for instance, the need to analyze Space Shuttle propulsion systems on the launch pad. Those systems provide the awe-inspiring rocket power that propels the Space Shuttle from Earth into orbit in mere minutes. The scanner development also marks a major improvement in the quality assurance field, because screws, nuts, bolts, fasteners, and other items can now be evaluated upon receipt and rejected if found to be substandard. The same holds true for aluminum weld rods. The ability to validate the integrity of raw materials and partially finished products before adding value to them in the manufacturing process will be of benefit not only to businesses, but also to the consumer, who will have access to a higher value product at a cheaper price. Three vacuum X-ray scanners are already being used in the Space Shuttle Program. The External Tank

  19. Vacuum Enhanced X-Ray Florescent Scanner Allows On-The-Spot Chemical Analysis

    NASA Technical Reports Server (NTRS)

    2004-01-01

    Marshall Space Flight Center engineers have teamed with KeyMaster Technologies, Kennewick, Washington, to develop a portable vacuum analyzer that performs on-the-spot chemical analyses under field conditions, a task previously only possible in a chemical laboratory. The new capability is important not only to the aerospace industry, but holds potential for broad applications in any industry that depends on materials analysis, such as the automotive and pharmaceutical industries. Weighing in at a mere 4 pounds, the newly developed handheld vacuum X-ray fluorescent analyzer can identify and characterize a wide range of elements, and is capable of detecting chemical elements with low atomic numbers, such as sodium, aluminum and silicon. It is the only handheld product on the market with that capability. Aluminum alloy verification is of particular interest to NASA because vast amounts of high-strength aluminum alloys are used in the Space Shuttle propulsion system such as the External Tank, Main Engine, and Solid Rocket Boosters. This capability promises to be a boom to the aerospace community because of unique requirements, for instance, the need to analyze Space Shuttle propulsion systems on the launch pad. Those systems provide the awe-inspiring rocket power that propels the Space Shuttle from Earth into orbit in mere minutes. The scanner development also marks a major improvement in the quality assurance field, because screws, nuts, bolts, fasteners, and other items can now be evaluated upon receipt and rejected if found to be substandard. The same holds true for aluminum weld rods. The ability to validate the integrity of raw materials and partially finished products before adding value to them in the manufacturing process will be of benefit not only to businesses, but also to the consumer, who will have access to a higher value product at a cheaper price. Three vacuum X-ray scanners are already being used in the Space Shuttle Program. The External Tank Project

  20. Surge Nozzle NDE Specimen Mechanical Stress Improvement Analysis

    SciTech Connect

    Fredette, Lee F.

    2011-07-14

    The purpose of this project was to perform a finite element analysis of a pressurized water reactor pressurizer surge nozzle mock-up to predict both the weld residual stresses created in its construction and the final stress state after the application of the Mechanical Stress Improvement Process (MSIP). Strain gages were applied to the inner diameter of the mock-up to record strain changes during the MSIP. These strain readings were used in an attempt to calculate the final stress state of the mock-up as well.

  1. Improved method and apparatus for chromatographic quantitative analysis

    DOEpatents

    Fritz, J.S.; Gjerde, D.T.; Schmuckler, G.

    An improved apparatus and method are described for the quantitative analysis of a solution containing a plurality of anion species by ion exchange chromatography which utilizes a single element and a single ion exchange bed which does not require periodic regeneration. The solution containing the anions is added to an anion exchange resin bed which is a low capacity macroreticular polystyrene-divinylbenzene resin containing quarternary ammonium functional groups, and is eluted therefrom with a dilute solution of a low electrical conductance organic acid salt. As each anion species is eluted from the bed, it is quantitatively sensed by conventional detection means such as a conductivity cell.

  2. Analysis and implementation of an improved recycling folded cascode amplifier

    NASA Astrophysics Data System (ADS)

    Yilei, Li; Kefeng, Han; Na, Yan; Xi, Tan; Hao, Min

    2012-02-01

    A generally improved recycling folded cascode (IRFC) is analyzed and implemented. Analysis and comparisons among the IRFC, the original recycling folded cascode (RFC) and the conventional folded cascode (FC) are made, and it is shown that with the flexible structure of IRFC, significant enhancement in transconductance, slew rate and noise can be achieved. Prototype amplifiers were fabricated in 0.13 μm technology. Measurement shows that IRFC has 3× enhancement in gain-bandwidth and slew rate over conventional FC, and the enhancement is 1.5× when compared with the RFC.

  3. 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.

  4. 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.

  5. TRPV4 inhibition counteracts edema and inflammation and improves pulmonary function and oxygen saturation in chemically induced acute lung injury

    PubMed Central

    Balakrishna, Shrilatha; Song, Weifeng; Achanta, Satyanarayana; Doran, Stephen F.; Liu, Boyi; Kaelberer, Melanie M.; Yu, Zhihong; Sui, Aiwei; Cheung, Mui; Leishman, Emma; Eidam, Hilary S.; Ye, Guosen; Willette, Robert N.; Thorneloe, Kevin S.; Bradshaw, Heather B.; Matalon, Sadis

    2014-01-01

    The treatment of acute lung injury caused by exposure to reactive chemicals remains challenging because of the lack of mechanism-based therapeutic approaches. Recent studies have shown that transient receptor potential vanilloid 4 (TRPV4), an ion channel expressed in pulmonary tissues, is a crucial mediator of pressure-induced damage associated with ventilator-induced lung injury, heart failure, and infarction. Here, we examined the effects of two novel TRPV4 inhibitors in mice exposed to hydrochloric acid, mimicking acid exposure and acid aspiration injury, and to chlorine gas, a severe chemical threat with frequent exposures in domestic and occupational environments and in transportation accidents. Postexposure treatment with a TRPV4 inhibitor suppressed acid-induced pulmonary inflammation by diminishing neutrophils, macrophages, and associated chemokines and cytokines, while improving tissue pathology. These effects were recapitulated in TRPV4-deficient mice. TRPV4 inhibitors had similar anti-inflammatory effects in chlorine-exposed mice and inhibited vascular leakage, airway hyperreactivity, and increase in elastance, while improving blood oxygen saturation. In both models of lung injury we detected increased concentrations of N-acylamides, a class of endogenous TRP channel agonists. Taken together, we demonstrate that TRPV4 inhibitors are potent and efficacious countermeasures against severe chemical exposures, acting against exaggerated inflammatory responses, and protecting tissue barriers and cardiovascular function. PMID:24838754

  6. TRPV4 inhibition counteracts edema and inflammation and improves pulmonary function and oxygen saturation in chemically induced acute lung injury.

    PubMed

    Balakrishna, Shrilatha; Song, Weifeng; Achanta, Satyanarayana; Doran, Stephen F; Liu, Boyi; Kaelberer, Melanie M; Yu, Zhihong; Sui, Aiwei; Cheung, Mui; Leishman, Emma; Eidam, Hilary S; Ye, Guosen; Willette, Robert N; Thorneloe, Kevin S; Bradshaw, Heather B; Matalon, Sadis; Jordt, Sven-Eric

    2014-07-15

    The treatment of acute lung injury caused by exposure to reactive chemicals remains challenging because of the lack of mechanism-based therapeutic approaches. Recent studies have shown that transient receptor potential vanilloid 4 (TRPV4), an ion channel expressed in pulmonary tissues, is a crucial mediator of pressure-induced damage associated with ventilator-induced lung injury, heart failure, and infarction. Here, we examined the effects of two novel TRPV4 inhibitors in mice exposed to hydrochloric acid, mimicking acid exposure and acid aspiration injury, and to chlorine gas, a severe chemical threat with frequent exposures in domestic and occupational environments and in transportation accidents. Postexposure treatment with a TRPV4 inhibitor suppressed acid-induced pulmonary inflammation by diminishing neutrophils, macrophages, and associated chemokines and cytokines, while improving tissue pathology. These effects were recapitulated in TRPV4-deficient mice. TRPV4 inhibitors had similar anti-inflammatory effects in chlorine-exposed mice and inhibited vascular leakage, airway hyperreactivity, and increase in elastance, while improving blood oxygen saturation. In both models of lung injury we detected increased concentrations of N-acylamides, a class of endogenous TRP channel agonists. Taken together, we demonstrate that TRPV4 inhibitors are potent and efficacious countermeasures against severe chemical exposures, acting against exaggerated inflammatory responses, and protecting tissue barriers and cardiovascular function. PMID:24838754

  7. 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…

  8. Improving the Statistical Methodology of Astronomical Data Analysis

    NASA Astrophysics Data System (ADS)

    Feigelson, Eric D.; Babu, Gutti Jogesh

    Contemporary observational astronomers are generally unfamiliar with the extensive advances made in mathematical and applied statistics during the past several decades. Astronomical problems can often be addressed by methods developed in statistical fields such as spatial point processes, density estimation, Bayesian statistics, and sampling theory. The common problem of bivariate linear regression illustrates the need for sophisticated methods. Astronomical problems often require combinations of ordinary least-squares lines, double-weighted and errors-in-variables models, censored and truncated regressions, each with its own error analysis procedure. The recent conference Statistical Challenges in Modern Astronomy highlighted issues of mutual interest to statisticians and astronomers including clustering of point processes and time series analysis. We conclude with advice on how the astronomical community can advance its statistical methodology with improvements in education of astrophysicists, collaboration and consultation with professional statisticians, and acquisition of new software.

  9. Improved seismic data analysis tool in hydrogeophysical applications

    NASA Astrophysics Data System (ADS)

    Scholtz, P.

    2003-04-01

    To study the near-surface environment several geophysical measurement techniques exist. Seismic methods are widely and successfully used to aid the solution of different geological tasks. Unfortunately the financial background of environmental related efforts are limited, hence it is vital to get the most information out of our geophysical field data. Hydrogeological investigations require special accuracy and resolution from the applied seismic methods. A dispersion analysis tool will be presented, which is insensitive to inaccuracies, works under noisy conditions and can separate close arrivals. We show a wavelet transformation based method, where the choice of the appropriate basic wavelet improves the quality of the results. Applying this analysis technique to the inversion of frequency-velocity functions of wave guiding sequences or in mapping inhomogeneities of the near-surface by group traveltime tomography will yield to more reliable physical parameters needed by hydrogeologists.

  10. Missile placement analysis based on improved SURF feature matching algorithm

    NASA Astrophysics Data System (ADS)

    Yang, Kaida; Zhao, Wenjie; Li, Dejun; Gong, Xiran; Sheng, Qian

    2015-03-01

    The precious battle damage assessment by use of video images to analysis missile placement is a new study area. The article proposed an improved speeded up robust features algorithm named restricted speeded up robust features, which combined the combat application of TV-command-guided missiles and the characteristics of video image. Its restrictions mainly reflected in two aspects, one is to restrict extraction area of feature point; the second is to restrict the number of feature points. The process of missile placement analysis based on video image was designed and a video splicing process and random sample consensus purification were achieved. The RSURF algorithm is proved that has good realtime performance on the basis of guarantee the accuracy.

  11. MITG post-test analysis and design improvements

    SciTech Connect

    Schock, A.

    1983-01-01

    The design, performance analysis, and key attributes of the Modular Isotopic Thermoelectric Generator (MITG) were described in a 1981 IECEC paper; and the design, fabrication, and testing of prototypical MITG test assemblies were described in preceding papers in these proceedings. Each test assembly simulated a typical modular slice of the flight generator. The present paper describes a detailed thermal-stress analysis, which identified the causes of stress-related problems observed during the tests. It then describes how additional analyses were used to evaluate design changes to alleviate those problems. Additional design improvements are discussed in the next paper in these proceedings, which also describes revised fabrication procedures and updated performance estimates for the generator.

  12. An Efficient and Configurable Preprocessing Algorithm to Improve Stability Analysis.

    PubMed

    Sesia, Ilaria; Cantoni, Elena; Cernigliaro, Alice; Signorile, Giovanna; Fantino, Gianluca; Tavella, Patrizia

    2016-04-01

    The Allan variance (AVAR) is widely used to measure the stability of experimental time series. Specifically, AVAR is commonly used in space applications such as monitoring the clocks of the global navigation satellite systems (GNSSs). In these applications, the experimental data present some peculiar aspects which are not generally encountered when the measurements are carried out in a laboratory. Space clocks' data can in fact present outliers, jumps, and missing values, which corrupt the clock characterization. Therefore, an efficient preprocessing is fundamental to ensure a proper data analysis and improve the stability estimation performed with the AVAR or other similar variances. In this work, we propose a preprocessing algorithm and its implementation in a robust software code (in MATLAB language) able to deal with time series of experimental data affected by nonstationarities and missing data; our method is properly detecting and removing anomalous behaviors, hence making the subsequent stability analysis more reliable. PMID:26540679

  13. Analysis and reduction of chemical models under uncertainty.

    SciTech Connect

    Oxberry, Geoff; Debusschere, Bert J.; Najm, Habib N.

    2008-08-01

    While models of combustion processes have been successful in developing engines with improved fuel economy, more costly simulations are required to accurately model pollution chemistry. These simulations will also involve significant parametric uncertainties. Computational singular perturbation (CSP) and polynomial chaos-uncertainty quantification (PC-UQ) can be used to mitigate the additional computational cost of modeling combustion with uncertain parameters. PC-UQ was used to interrogate and analyze the Davis-Skodje model, where the deterministic parameter in the model was replaced with an uncertain parameter. In addition, PC-UQ was combined with CSP to explore how model reduction could be combined with uncertainty quantification to understand how reduced models are affected by parametric uncertainty.

  14. An Improved In Situ and Satellite SST Analysis for Climate.

    NASA Astrophysics Data System (ADS)

    Reynolds, Richard W.; Rayner, Nick A.; Smith, Thomas M.; Stokes, Diane C.; Wang, Wanqiu

    2002-07-01

    A weekly 1° spatial resolution optimum interpolation (OI) sea surface temperature (SST) analysis has been produced at the National Oceanic and Atmospheric Administration (NOAA) using both in situ and satellite data from November 1981 to the present. The weekly product has been available since 1993 and is widely used for weather and climate monitoring and forecasting. Errors in the satellite bias correction and the sea ice to SST conversion algorithm are discussed, and then an improved version of the OI analysis is developed. The changes result in a modest reduction in the satellite bias that leaves small global residual biases of roughly 0.03°C. The major improvement in the analysis occurs at high latitudes due to the new sea ice algorithm where local differences between the old and new analysis can exceed 1°C. Comparisons with other SST products are needed to determine the consistency of the OI. These comparisons show that the differences among products occur on large time- and space scales with monthly rms differences exceeding 0.5°C in some regions. These regions are primarily the mid- and high-latitude Southern Oceans and the Arctic where data are sparse, as well as high-gradient areas such as the Gulf Stream and Kuroshio where the gradients cannot be properly resolved on a 1° grid. In addition, globally averaged differences of roughly 0.05°C occur among the products on decadal scales. These differences primarily arise from the same regions where the rms differences are large. However, smaller unexplained differences also occur in other regions of the midlatitude Northern Hemisphere where in situ data should be adequate.

  15. 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.

  16. 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.

  17. 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

  18. Tuning the performance of a natural treatment process using metagenomics for improved trace organic chemical attenuation.

    PubMed

    Drewes, J E; Li, D; Regnery, J; Alidina, M; Wing, A; Hoppe-Jones, C

    2014-01-01

    By utilizing high-throughput sequencing and metagenomics, this study revealed how the microbial community characteristics including composition, diversity, as well as functional genes in managed aquifer recharge (MAR) systems can be tuned to enhance removal of trace organic chemicals of emerging concern (CECs). Increasing the humic content of the primary substrate resulted in higher microbial diversity. Lower concentrations and a higher humic content of the primary substrate promoted the attenuation of biodegradable CECs in laboratory and field MAR systems. Metagenomic results indicated that the metabolic capabilities of xenobiotic biodegradation were significantly promoted for the microbiome under carbon-starving conditions. PMID:24552737

  19. 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.

  20. Probabilistic structural analysis methods for improving Space Shuttle engine reliability

    NASA Technical Reports Server (NTRS)

    Boyce, L.

    1989-01-01

    Probabilistic structural analysis methods are particularly useful in the design and analysis of critical structural components and systems that operate in very severe and uncertain environments. These methods have recently found application in space propulsion systems to improve the structural reliability of Space Shuttle Main Engine (SSME) components. A computer program, NESSUS, based on a deterministic finite-element program and a method of probabilistic analysis (fast probability integration) provides probabilistic structural analysis for selected SSME components. While computationally efficient, it considers both correlated and nonnormal random variables as well as an implicit functional relationship between independent and dependent variables. The program is used to determine the response of a nickel-based superalloy SSME turbopump blade. Results include blade tip displacement statistics due to the variability in blade thickness, modulus of elasticity, Poisson's ratio or density. Modulus of elasticity significantly contributed to blade tip variability while Poisson's ratio did not. Thus, a rational method for choosing parameters to be modeled as random is provided.

  1. 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

  2. Neonatal body composition: dual-energy X-ray absorptiometry, magnetic resonance imaging, and three-dimensional chemical shift imaging versus chemical analysis in piglets.

    PubMed

    Fusch, C; Slotboom, J; Fuehrer, U; Schumacher, R; Keisker, A; Zimmermann, W; Moessinger, A; Boesch, C; Blum, J

    1999-10-01

    An animal study to evaluate dual-energy x-ray absorptiometry (DXA) and magnetic resonance (MR) imaging and spectroscopy for measurement of neonatal body composition was performed. Twenty-three piglets with body weights ranging from 848 to 7550 g were used. After measuring total body water, animals were killed and body composition was assessed using DXA and MR (1.5 T; MR imaging, T1-weighted sagittal spin-echo sequence; MR spectroscopy, three-dimensional chemical shift imaging) as well as chemical carcass analysis (standard methods) after homogenization. Body composition by chemical analysis (percent of body weight, mean +/- SD) was as follows: body water, 75.3 +/- 3.9%; total protein, 13.9 +/- 8.8%; and total fat, 6.5 +/- 3.7%. Absolute content of fat and total ash was 7-674 and 35-237 g, respectively. Mean hydration of fat-free mass was 0.804 +/- 0.011 g/kg and decreased with increasing body weight (r2 = 0.419) independent of age. Using DXA, bone mineral content was highly correlated with calcium content (r2 = 0.992), and calcium per bone mineral content was 44.1 +/- 4.2%. DXA fat mass correlated with total fat (r2 = 0.961). Using MR, spectroscopy and chemical analysis were highly correlated with fat-to-water ratio (r2 = 0.984) and absolute fat content (r2 = 0.988). Total fat by MR imaging volumetry showed a lower correlation (r2 = 0.913) and overestimated total fat by a factor of 2.46. Conversion equations for DXA were developed (total fat = 1.31 x fat mass measured by DXA--68.8; calcium = 0.402 x bone mineral content + 1.7), which improved precision and accuracy of DXA measurements. In conclusion, both DXA and MR spectroscopy give accurate and precise estimates of neonatal body composition and may become valuable tools for the noninvasive assessment of neonatal growth and nutritional status. PMID:10509370

  3. Improved management of winter operations to limit subsurface contamination with degradable deicing chemicals in cold regions.

    PubMed

    French, Helen K; van der Zee, Sjoerd E A T M

    2014-01-01

    This paper gives an overview of management considerations required for better control of deicing chemicals in the unsaturated zone at sites with winter maintenance operations in cold regions. Degradable organic deicing chemicals are the main focus. The importance of the heterogeneity of both the infiltration process, due to frozen ground and snow melt including the contact between the melting snow cover and the soil, and unsaturated flow is emphasised. In this paper, the applicability of geophysical methods for characterising soil heterogeneity is considered, aimed at modelling and monitoring changes in contamination. To deal with heterogeneity, a stochastic modelling framework may be appropriate, emphasizing the more robust spatial and temporal moments. Examples of a combination of different field techniques for measuring subsoil properties and monitoring contaminants and integration through transport modelling are provided by the SoilCAM project and previous work. Commonly, the results of flow and contaminant fate modelling are quite detailed and complex and require post-processing before communication and advising stakeholders. The managers' perspectives with respect to monitoring strategies and challenges still unresolved have been analysed with basis in experience with research collaboration with one of the case study sites, Oslo airport, Gardermoen, Norway. Both scientific challenges of monitoring subsoil contaminants in cold regions and the effective interaction between investigators and management are illustrated. PMID:24281673

  4. Large improvement of phosphorus incorporation efficiency in n-type chemical vapor deposition of diamond

    SciTech Connect

    Ohtani, Ryota; Yamamoto, Takashi; Janssens, Stoffel D.; Yamasaki, Satoshi

    2014-12-08

    Microwave plasma enhanced chemical vapor deposition is a promising way to generate n-type, e.g., phosphorus-doped, diamond layers for the fabrication of electronic components, which can operate at extreme conditions. However, a deeper understanding of the doping process is lacking and low phosphorus incorporation efficiencies are generally observed. In this work, it is shown that systematically changing the internal design of a non-commercial chemical vapor deposition chamber, used to grow diamond layers, leads to a large increase of the phosphorus doping efficiency in diamond, produced in this device, without compromising its electronic properties. Compared to the initial reactor design, the doping efficiency is about 100 times higher, reaching 10%, and for a very broad doping range, the doping efficiency remains highly constant. It is hypothesized that redesigning the deposition chamber generates a higher flow of active phosphorus species towards the substrate, thereby increasing phosphorus incorporation in diamond and reducing deposition of phosphorus species at reactor walls, which additionally reduces undesirable memory effects.

  5. Large improvement of phosphorus incorporation efficiency in n-type chemical vapor deposition of diamond

    NASA Astrophysics Data System (ADS)

    Ohtani, Ryota; Yamamoto, Takashi; Janssens, Stoffel D.; Yamasaki, Satoshi; Koizumi, Satoshi

    2014-12-01

    Microwave plasma enhanced chemical vapor deposition is a promising way to generate n-type, e.g., phosphorus-doped, diamond layers for the fabrication of electronic components, which can operate at extreme conditions. However, a deeper understanding of the doping process is lacking and low phosphorus incorporation efficiencies are generally observed. In this work, it is shown that systematically changing the internal design of a non-commercial chemical vapor deposition chamber, used to grow diamond layers, leads to a large increase of the phosphorus doping efficiency in diamond, produced in this device, without compromising its electronic properties. Compared to the initial reactor design, the doping efficiency is about 100 times higher, reaching 10%, and for a very broad doping range, the doping efficiency remains highly constant. It is hypothesized that redesigning the deposition chamber generates a higher flow of active phosphorus species towards the substrate, thereby increasing phosphorus incorporation in diamond and reducing deposition of phosphorus species at reactor walls, which additionally reduces undesirable memory effects.

  6. Improving chemical education from high school to college using a more hands-on approach

    NASA Astrophysics Data System (ADS)

    Ruddick, Kristie Winfield

    In this work, various alternative teaching methods and activities for chemical education are developed, presented, and evaluated. In the first study, an original hands-on activity using LEGO® blocks to model ionic chemical formulas is presented together with quantitative and qualitative data regarding its educational effectiveness. Students explore cation to anion ratios using LEGO® blocks to represent trivalent, divalent and monovalent cations and anions. High school chemistry students who participated in the LEGO® lab showed significantly higher post-test scores than other students. The second study grows out of the creation of a computational lab module that is shown to significantly increase student learning in the subject of molecular orbital theory in first semester college General Chemistry. The third and final study presented is a course redesign project for college CHEM 1100, Preparation for General Chemistry. In this project the classroom is “flipped”. Students watch video lectures at home, and spend class time working with peers and the instructor on problem solving activities. The results presented here are one of the first quantitative studies showing the effectiveness of “flipping the classroom”. Students who were taught using the Reverse-Instruction (RI) method had significantly higher success in both the Preparation for General Chemistry course and traditionally taught General Chemistry I the following semester.

  7. Modified CTAB and TRIzol protocols improve RNA extraction from chemically complex Embryophyta1

    PubMed Central

    Jordon-Thaden, Ingrid E.; Chanderbali, Andre S.; Gitzendanner, Matthew A.; Soltis, Douglas E.

    2015-01-01

    Premise of the study: Here we present a series of protocols for RNA extraction across a diverse array of plants; we focus on woody, aromatic, aquatic, and other chemically complex taxa. Methods and Results: Ninety-one taxa were subjected to RNA extraction with three methods presented here: (1) TRIzol/TURBO DNA-free kits using the manufacturer’s protocol with the addition of sarkosyl; (2) a combination method using cetyltrimethylammonium bromide (CTAB) and TRIzol/sarkosyl/TURBO DNA-free; and (3) a combination of CTAB and QIAGEN RNeasy Plant Mini Kit. Bench-ready protocols are given. Conclusions: After an iterative process of working with chemically complex taxa, we conclude that the use of TRIzol supplemented with sarkosyl and the TURBO DNA-free kit is an effective, efficient, and robust method for obtaining RNA from 100 mg of leaf tissue of land plant species (Embryophyta) examined. Our protocols can be used to provide RNA of suitable stability, quantity, and quality for transcriptome sequencing. PMID:25995975

  8. Figure content analysis for improved biomedical article retrieval

    NASA Astrophysics Data System (ADS)

    You, Daekeun; Apostolova, Emilia; Antani, Sameer; Demner-Fushman, Dina; Thoma, George R.

    2009-01-01

    Biomedical images are invaluable in medical education and establishing clinical diagnosis. Clinical decision support (CDS) can be improved by combining biomedical text with automatically annotated images extracted from relevant biomedical publications. In a previous study we reported 76.6% accuracy using supervised machine learning on the feasibility of automatically classifying images by combining figure captions and image content for usefulness in finding clinical evidence. Image content extraction is traditionally applied on entire images or on pre-determined image regions. Figure images articles vary greatly limiting benefit of whole image extraction beyond gross categorization for CDS due to the large variety. However, text annotations and pointers on them indicate regions of interest (ROI) that are then referenced in the caption or discussion in the article text. We have previously reported 72.02% accuracy in text and symbols localization but we failed to take advantage of the referenced image locality. In this work we combine article text analysis and figure image analysis for localizing pointer (arrows, symbols) to extract ROI pointed that can then be used to measure meaningful image content and associate it with the identified biomedical concepts for improved (text and image) content-based retrieval of biomedical articles. Biomedical concepts are identified using National Library of Medicine's Unified Medical Language System (UMLS) Metathesaurus. Our methods report an average precision and recall of 92.3% and 75.3%, respectively on identifying pointing symbols in images from a randomly selected image subset made available through the ImageCLEF 2008 campaign.

  9. Skill analysis part 3: improving a practice skill.

    PubMed

    Price, Bob

    In this, the third and final article in a series on practice skill analysis, attention is given to imaginative ways of improving a practice skill. Having analysed and evaluated a chosen skill in the previous two articles, it is time to look at new ways to proceed. Creative people are able to be analytical and imaginative. The process of careful reasoning involved in analysing and evaluating a skill will not necessarily be used to improve it. To advance a skill, there is a need to engage in more imaginative, free-thinking processes that allow the nurse to think afresh about his or her chosen skill. Suggestions shared in this article are not exhaustive, but the material presented does illustrate measures that in the author's experience seem to have potential. Consideration is given to how the improved skill might be envisaged (an ideal skill in use). The article is illustrated using the case study of empathetic listening, which has been used throughout this series. PMID:22356066

  10. Physical and chemical analysis of Passiflora seeds and seed oil from China.

    PubMed

    Liu, Shucheng; Yang, Feng; Li, Jiali; Zhang, Chaohua; Ji, Hongwu; Hong, Pengzhi

    2008-01-01

    The physical and chemical properties of seeds and seed oil from 'Tainung No. 1' passion fruit in China have been analyzed in order to evaluate their nutritional value. Proximate analysis shows that the seeds have a high amount of protein (10.8 +/- 0.60%) and are rich in oil (23.40 +/- 2.50%). The seeds are found to be a good source of minerals. They contain considerable amounts of sodium (2.980 +/- 0.002 mg/g), magnesium (1.540 +/- 0.001 mg/g), potassium (0.850 +/- 0.001 mg/g), and calcium (0.540 +/- 0.002 mg/g). The passion fruit seeds contain the 17 amino acids that are found naturally in plant protein (tryptophan is not analyzed). The essential amino acids account for 34% of the 17 amino acids. The amino acid score of passion fruit seeds protein is 74 and the first limiting amino acid is methionine and cystine. The oil extracted by solvent and supercritical dioxide carbon is liquid at room temperature and the color is golden-orange. The specific gravity of the oil is about 0.917. Comparing the chemical properties of the oil extracted by solvent with that by supercritical dioxide carbon, the latter may be suitable as edible oil directly, while the former will be edible after it must be refined to improve on clarity. Fatty acid composition of the seed oil indicates that the oil contains two essential fatty acids (linoleic acid and linolenic acid), but the content of linoleic acid (72.69 +/- 0.32%) is by far greater than that of linolenic acid (0.26 +/- 0.00%). The present analytical results show the passion fruit seed to be a potentially valuable non-conventional source for high-quality oil. PMID:18608550

  11. Analysis of chemical and physical processes during the pyrolysis of large biomass pellets

    SciTech Connect

    Chan, W.C.R.

    1983-01-01

    The detailed chemical and physical processes that occur during the pyrolysis of large biomass pellets have been studied both experimentally and mathematically. The quantitative effects on product distribution of chemical composition and physical variables, such as external heat flux, pellet length, density and wood grain orientation, are determined systematically by using a Box-Behnken experimental design. The yield of each product is reported as a function of these variables in the form of a second order polynomial. The experimental apparatus consists of a single pellet reactor with one-dimensional radiant heat flux (2-6 cal/cm/sup 2/-sec) applied to a surface of the cylindrical pellet. Volatile product, which are collected by a cold trap and an automatic gas sampling system, are analyzed by gas chromatography. Temperatures along the pellet length are measured by an optical pyrometer and thermocouples, and the pellet density is obtained by an X-ray technique. The theoretical analysis extends previous mathematical models to include a multi-step reaction mechanism which predicts char yield. Variable properties, heat, and mass transfer effects during the pyrolysis are also treated. The differential equations are solved using a finite difference method. Experimental results in large particle pyrolysis show a different maximum release rate for each volatile component which offers a possibility for increased selectivity. Heat flux has the most significant effect on the pyrolysis rate and product distribution. Pellet length and grain orientation are secondary. The results obtained from this study will be useful in many applications such as improving wood combustion and fire safety. The methodology used in this work may also apply to coal and oil-shale pyrolysis.

  12. 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/.

  13. Au-Ag@Au Hollow Nanostructure with Enhanced Chemical Stability and Improved Photothermal Transduction Efficiency for Cancer Treatment.

    PubMed

    Jiang, Tongtong; Song, Jiangluqi; Zhang, Wenting; Wang, Hao; Li, Xiaodong; Xia, Ruixiang; Zhu, Lixin; Xu, Xiaoliang

    2015-10-01

    Despite the fact that Au-Ag hollow nanoparticles (HNPs) have gained much attention as ablation agents for photothermal therapy, the instability of the Ag element limits their applications. Herein, excess Au atoms were deposited on the surface of a Au-Ag HNP by improving the reduction power of l-ascorbic acid (AA) and thereby preventing the reaction between HAuCl4 and the Ag element in the Au-Ag alloy nanostructure. Significantly, the obtained Au-Ag@Au HNPs show excellent chemical stability in an oxidative environment, together with remarkable increase in extinction peak intensity and obvious narrowing in peak width. Moreover, finite-difference time-domain (FDTD) was used to simulate the optical properties and electric field distribution of HNPs. The calculated results show that the proportion of absorption cross section in total extinction cross section increases with the improvement of Au content in HNP. As predicted by the theoretical calculation results, Au-Ag@Au nanocages (NCs) exhibit a photothermal transduction efficiency (η) as high as 36.5% at 808 nm, which is higher than that of Au-Ag NCs (31.2%). Irradiated by 808 nm laser at power densities of 1 W/cm(2), MCF-7 breast cancer cells incubated with PEGylated Au-Ag@Au NCs were seriously destroyed. Combined together, Au-Ag@Au HNPs with enhanced chemical stability and improved photothermal transduction efficiency show superior competitiveness as photothermal agents. PMID:26371629

  14. Improved measurement of labile proton concentration-weighted chemical exchange rate (kws) with experimental factor-compensated and T1-normalized quantitative chemical exchange saturation transfer (CEST) MRI

    PubMed Central

    Wu, Renhua; Liu, Charng-Ming; Liu, Philip K; Sun, Phillip Zhe

    2012-01-01

    Chemical exchange saturation transfer (CEST) MRI enables measurement of dilute CEST agents and microenvironment properties such as pH and temperature, holding great promise for in vivo applications. However, because of confounding concomitant RF irradiation and relaxation effects, the CEST-weighted MRI contrast may not fully characterize the underlying CEST phenomenon. We postulated that the accuracy of quantitative CEST MRI could be improved if the experimental factors (labeling efficiency and RF spillover effect) were estimated and taken into account. Specifically, the experimental factor was evaluated as a function of exchange rate and CEST agent concentration ratio, which remained relatively constant for intermediate RF irradiation power levels. Hence, the experimental factors can be calculated based on the reasonably estimated exchange rate and labile proton concentration ratio, which significantly improved quantification. The simulation was confirmed with Creatine phantoms of serially varied concentration titrated to the same pH, whose reverse exchange rate (kws) was found to be linearly correlated with the concentration. In summary, the proposed solution provides simplified yet reasonably accurate quantification of the underlying CEST system, which may help guide the ongoing development of quantitative CEST MRI. PMID:22649044

  15. 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

  16. 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.

  17. Improved mesh based photon sampling techniques for neutron activation analysis

    SciTech Connect

    Relson, E.; Wilson, P. P. H.; Biondo, E. D.

    2013-07-01

    The design of fusion power systems requires analysis of neutron activation of large, complex volumes, and the resulting particles emitted from these volumes. Structured mesh-based discretization of these problems allows for improved modeling in these activation analysis problems. Finer discretization of these problems results in large computational costs, which drives the investigation of more efficient methods. Within an ad hoc subroutine of the Monte Carlo transport code MCNP, we implement sampling of voxels and photon energies for volumetric sources using the alias method. The alias method enables efficient sampling of a discrete probability distribution, and operates in 0(1) time, whereas the simpler direct discrete method requires 0(log(n)) time. By using the alias method, voxel sampling becomes a viable alternative to sampling space with the 0(1) approach of uniformly sampling the problem volume. Additionally, with voxel sampling it is straightforward to introduce biasing of volumetric sources, and we implement this biasing of voxels as an additional variance reduction technique that can be applied. We verify our implementation and compare the alias method, with and without biasing, to direct discrete sampling of voxels, and to uniform sampling. We study the behavior of source biasing in a second set of tests and find trends between improvements and source shape, material, and material density. Overall, however, the magnitude of improvements from source biasing appears to be limited. Future work will benefit from the implementation of efficient voxel sampling - particularly with conformal unstructured meshes where the uniform sampling approach cannot be applied. (authors)

  18. 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.

  19. 78 FR 69433 - Executive Order 13650 Improving Chemical Facility Safety and Security Listening Sessions

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-19

    ... Resource Center, Room 131; and November 15, 2013, GSA's ROB Auditorium, 301 7th Street SW., (7th and D...-0075, Technical Data Center, Room N-2625, U.S. Department of Labor, 200 Constitution Avenue NW... provide input EO related on topics such as: Improving operational coordination with Federal, state,...

  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. 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. 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

  3. Amonia gas: an improved reagent for chemical ionization mass spectrometry of bile acid methyl ester acetates

    SciTech Connect

    DeMark, B.R.; Klein, P.D.

    1981-01-01

    The ammonia chemical ionization mass spectra of 28 methyl ester acetate derivatives of bile acids and related compounds have been determined by gas-liquid chromatography-mass spectrometry. Advantages of ammonia ionization over the previously studied isobutane ionization include a 130 to 270% enhancement in the sensitivity of base peak monitoring, and direct determination of molecular weight from the base peak (M + NH/sub 4//sup +/) in the mass spectrum of any of the derivatives. Minor ions in the ammonia spectra also allow selective detection of 3-keto compounds and can indicate unsaturation or double bond conjugation in the molecule. The significance of these studies for the detection and quantitation of bile acids is discussed. 2 tables.

  4. An improved flux-split algorithm applied to hypersonic flows in chemical equilibrium

    NASA Technical Reports Server (NTRS)

    Palmer, Grant

    1988-01-01

    An explicit, finite-difference, shock-capturing numerical algorithm is presented and applied to hypersonic flows assumed to be in thermochemical equilibrium. Real-gas chemistry is either loosely coupled to the gasdynamics by way of a Gibbs free energy minimization package or fully coupled using species mass conservation equations with finite-rate chemical reactions. A scheme is developed that maintains stability in the explicit, finite-rate formulation while allowing relatively high time steps. The codes use flux vector splitting to difference the inviscid fluxes and employ real-gas corrections to viscosity and thermal conductivity. Numerical results are compared against existing ballistic range and flight data. Flows about complex geometries are also computed.

  5. CHEMICAL RE-ENGINEERING OF CHLOROTOXIN IMPROVES BIOCONJUGATION PROPERTIES FOR TUMOR IMAGING AND TARGETED THERAPY

    PubMed Central

    Akcan, Muharrem; Stroud, Mark R.; Hansen, Stacey J.; Clark, Richard J.; Daly, Norelle L.; Craik, David J.; Olson, James M.

    2011-01-01

    Bioconjugates composed of chlorotoxin and near infrared fluorescent (NIRF) moieties are being advanced toward human clinical trials as intra-operative imaging agents that will enable surgeons to visualize small foci of cancer. In previous studies, the NIRF molecules were conjugated to chlorotoxin, which results in a mixture of mono-, di-, and tri-labeled peptide. Here we report a new chemical entity that bound only a single NIRF molecule. The lysines at positions 15 and 23 were substituted with either Ala or Arg, which resulted in only mono-labeled peptide that was functionally equivalent to native chlorotoxin:Cy5.5. We also analyzed the serum stability and serum half life of cyclized chlorotoxin, which showed an 11 hour serum half life and resulted in a mono-labeled product. Based on these data, we propose to advance a mono-labeled chlorotoxin to human clinical trials. PMID:21210710

  6. Improved carrier mobility of chemical vapor deposition-graphene by counter-doping with hydrazine hydrate

    SciTech Connect

    Chen, Zhiying; Zhang, Yanhui; Zhang, Haoran; Sui, Yanping; Zhang, Yaqian; Ge, Xiaoming; Yu, Guanghui Xie, Xiaoming; Li, Xiaoliang; Jin, Zhi; Liu, Xinyu

    2015-03-02

    We developed a counter-doping method to tune the electronic properties of chemical vapor deposition (CVD)-grown graphene by varying the concentration and time of graphene exposure to hydrazine hydrate (N{sub 2}H{sub 4}·H{sub 2}O). The shift of G and 2D peaks of Raman spectroscopy is analyzed as a function of N{sub 2}H{sub 4}·H{sub 2}O concentration. The result revealed that N{sub 2}H{sub 4}·H{sub 2}O realized n-type doping on CVD grown graphene. X-ray photoelectron spectroscopy measurement proved the existence of nitrogen, which indicated the adsorption of N{sub 2}H{sub 4} on the surface of graphene. After counter-doping, carrier mobility, which was measured by Hall measurements, increased three fold.

  7. Improved carrier mobility of chemical vapor deposition-graphene by counter-doping with hydrazine hydrate

    NASA Astrophysics Data System (ADS)

    Chen, Zhiying; Zhang, Yanhui; Zhang, Haoran; Sui, Yanping; Zhang, Yaqian; Ge, Xiaoming; Yu, Guanghui; Xie, Xiaoming; Li, Xiaoliang; Jin, Zhi; Liu, Xinyu

    2015-03-01

    We developed a counter-doping method to tune the electronic properties of chemical vapor deposition (CVD)-grown graphene by varying the concentration and time of graphene exposure to hydrazine hydrate (N2H4.H2O). The shift of G and 2D peaks of Raman spectroscopy is analyzed as a function of N2H4.H2O concentration. The result revealed that N2H4.H2O realized n-type doping on CVD grown graphene. X-ray photoelectron spectroscopy measurement proved the existence of nitrogen, which indicated the adsorption of N2H4 on the surface of graphene. After counter-doping, carrier mobility, which was measured by Hall measurements, increased three fold.

  8. The use of potato fibre to improve bread physico-chemical properties during storage.

    PubMed

    Curti, Elena; Carini, Eleonora; Diantom, Agoura; Vittadini, Elena

    2016-03-15

    Bread staling reduction is a very important issue for the food industry. A fibre with high water holding capacity, extracted from potato peel, was studied for its ability to reduce bread staling even if employed at low level (0.4 g fibre/100 g flour). Physico-chemical properties (water activity, moisture content, frozen water content, amylopectin retrogradation) and (1)H Nuclear Magnetic Resonance molecular mobility were characterised in potato fibre added bread over 7 days of storage. Potato fibre addition in bread slightly affected water activity and moisture content, while increased frozen water content and resulted in a softer bread crumb, more importantly when the optimal amount of water was used in the formulation. Potato fibre also reduced (1)H NMR molecular mobility changes in bread crumb during storage. Potato fibre addition in bread contributed to reduce bread staling. PMID:26575713

  9. 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.

  10. Full-motion video analysis for improved gender classification

    NASA Astrophysics Data System (ADS)

    Flora, Jeffrey B.; Lochtefeld, Darrell F.; Iftekharuddin, Khan M.

    2014-06-01

    The ability of computer systems to perform gender classification using the dynamic motion of the human subject has important applications in medicine, human factors, and human-computer interface systems. Previous works in motion analysis have used data from sensors (including gyroscopes, accelerometers, and force plates), radar signatures, and video. However, full-motion video, motion capture, range data provides a higher resolution time and spatial dataset for the analysis of dynamic motion. Works using motion capture data have been limited by small datasets in a controlled environment. In this paper, we explore machine learning techniques to a new dataset that has a larger number of subjects. Additionally, these subjects move unrestricted through a capture volume, representing a more realistic, less controlled environment. We conclude that existing linear classification methods are insufficient for the gender classification for larger dataset captured in relatively uncontrolled environment. A method based on a nonlinear support vector machine classifier is proposed to obtain gender classification for the larger dataset. In experimental testing with a dataset consisting of 98 trials (49 subjects, 2 trials per subject), classification rates using leave-one-out cross-validation are improved from 73% using linear discriminant analysis to 88% using the nonlinear support vector machine classifier.

  11. A composite of complex and chemical hydrides yields the first Al-based amidoborane with improved hydrogen storage properties.

    PubMed

    Dovgaliuk, Iurii; Jepsen, Lars H; Safin, Damir A; Łodziana, Zbigniew; Dyadkin, Vadim; Jensen, Torben R; Devillers, Michel; Filinchuk, Yaroslav

    2015-10-01

    The first Al-based amidoborane Na[Al(NH2 BH3 )4 ] was obtained through a mechanochemical treatment of the NaAlH4 -4 AB (AB=NH3 BH3 ) composite releasing 4.5 wt % of pure hydrogen. The same amidoborane was also produced upon heating the composite at 70 °C. The crystal structure of Na[Al(NH2 BH3 )4 ], elucidated from synchrotron X-ray powder diffraction and confirmed by DFT calculations, contains the previously unknown tetrahedral ion [Al(NH2 BH3 )4 ](-) , with every NH2 BH3 (-) ligand coordinated to aluminum through nitrogen atoms. Combination of complex and chemical hydrides in the same compound was possible due to both the lower stability of the AlH bonds compared to the BH ones in borohydride, and due to the strong Lewis acidity of Al(3+) . According to the thermogravimetric analysis-differential scanning calorimetry-mass spectrometry (TGA-DSC-MS) studies, Na[Al(NH2 BH3 )4 ] releases in two steps 9 wt % of pure hydrogen. As a result of this decomposition, which was also supported by volumetric studies, the formation of NaBH4 and amorphous product(s) of the surmised composition AlN4 B3 H(0-3.6) were observed. Furthermore, volumetric experiments have also shown that the final residue can reversibly absorb about 27 % of the released hydrogen at 250 °C and p(H2 )=150 bar. Hydrogen re-absorption does not regenerate neither Na[Al(NH2 BH3 )4 ] nor starting materials, NaAlH4 and AB, but rather occurs within amorphous product(s). Detailed studies of the latter one(s) can open an avenue for a new family of reversible hydrogen storage materials. Finally, the NaAlH4 -4 AB composite might become a starting point towards a new series of aluminum-based tetraamidoboranes with improved hydrogen storage properties such as hydrogen storage density, hydrogen purity, and reversibility. PMID:26306666

  12. 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.

  13. 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.

  14. Improvement of in vivo rat skin optical clearing with chemical penetration enhancers

    NASA Astrophysics Data System (ADS)

    Wang, Jing; Zhou, Xue; Duan, Shu; Chen, Zhongwei; Zhu, Dan

    2011-03-01

    Optical method plays an important role in clinical diagnosis and treatment, but suffers from limited penetration depth of light in turbid tissue. The optical clearing technique can improve the light delivery significantly through immersion of tissues into Optical Clearing Agents (OCAs). However, the barrier function of stratum corneum makes it difficult for optical clearing of skin by topical application of OCAs. Addition of penetration enhancers to OCAs can improve the skin clearing efficacy, but most investigations were performed on in vitro skin. Here, to evaluate the efficacy of this method on in vivo skin, direct observation and measurement of diffuse reflectance spectra were performed after topical application of different mixtures. One OCA, PEG-400, and three penetration enhancers (PEs), Thiazone, Azone and Propylene Glycol (PG), were used. The results indicated that the addition of penetration enhancers could improve the optical clearing efficacy of rat skin in vivo significantly, the dermal blood vessels could be observed directly with PEs. Among the three penetration enhancers, Thiazone induced the largest enhancement of clearing efficacy, and the enhancement induced by PG is the least. This study is very helpful for in vivo application of OCAs to enhance skin optical clearing non- invasively.

  15. 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

  16. 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.

  17. 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

  18. 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

  19. Chemical imaging and spectroscopy using tunable filters: Instrumentation, methodology, and multivariate analysis

    NASA Astrophysics Data System (ADS)

    Turner, John Frederick, II

    Spectral imaging has experienced tremendous growth during the past ten years and is rapidly becoming a formidable analytical tool. Recent advances in electronically tunable filters and array detectors are enabling high resolution spectral images to be acquired of chemical and biological systems that have traditionally been difficult to study non-invasively. Additionally, the development of powerful and inexpensive computer platforms is broadening the appeal of spectral imaging methods which have historically required costly and computationally adept computer workstations. The emphasis of my research has been to explore high throughput widefield imaging instrumentation and methodology using novel acousto-optic tunable filter (AOTF) and liquid crystal tunable filter (LCTF) imaging spectrometers. In order to demonstrate the feasibility of employing multiplexed AOTFs for spectroscopy and chemical imaging applications, a near- infrared (NIR) multiplexed AOTF spectrometer employing Hadamard encoding sequences has been developed. In addition, the use of multiplexed AOTFs as adaptive filters in NIR spectroscopy and fluorescence imaging has been demonstrated. A second type of electronically tunable image filter, the liquid crystal tunable filter (LCTF) has recently been developed and is well suited to high resolution, diffraction limited imaging applications. The earliest generation of LCTFs was based on the Lyot birefringent filter and possessed small transmittances due to the use of multiple polarizers and imperfect waveplate action. An improved LCTF prototype incorporating split-element Lyot filter stages has been evaluated and compared to the earlier generation of LCTF devices. The high image fidelity, wide acceptance angle, and large clear aperture of the LCTF make it well suited to macroscopic chemical imaging applications. A macroscopic imaging fluorometer employing LCTFs for source tuning and emission filtering has been developed for high throughput microtiter plate

  20. 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

  1. 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

  2. An Improved Analysis of Forest Carbon Dynamics using Data Assimilation

    NASA Technical Reports Server (NTRS)

    Williams, Mathew; Schwarz, Paul A.; Law, Beverly E.; Kurpius, Meredith R.

    2005-01-01

    There are two broad approaches to quantifying landscape C dynamics - by measuring changes in C stocks over time, or by measuring fluxes of C directly. However, these data may be patchy, and have gaps or biases. An alternative approach to generating C budgets has been to use process-based models, constructed to simulate the key processes involved in C exchange. However, the process of model building is arguably subjective, and parameters may be poorly defined. This paper demonstrates why data assimilation (DA) techniques - which combine stock and flux observations with a dynamic model - improve estimates of, and provide insights into, ecosystem carbon (C) exchanges. We use an ensemble Kalman filter (EnKF) to link a series of measurements with a simple box model of C transformations. Measurements were collected at a young ponderosa pine stand in central Oregon over a 3-year period, and include eddy flux and soil C02 efflux data, litterfall collections, stem surveys, root and soil cores, and leaf area index data. The simple C model is a mass balance model with nine unknown parameters, tracking changes in C storage among five pools; foliar, wood and fine root pools in vegetation, and also fresh litter and soil organic matter (SOM) plus coarse woody debris pools. We nested the EnKF within an optimization routine to generate estimates from the data of the unknown parameters and the five initial conditions for the pools. The efficacy of the DA process can be judged by comparing the probability distributions of estimates produced with the EnKF analysis vs. those produced with reduced data or model alone. Using the model alone, estimated net ecosystem exchange of C (NEE)= -251 f 197g Cm-2 over the 3 years, compared with an estimate of -419 f 29gCm-2 when all observations were assimilated into the model. The uncertainty on daily measurements of NEE via eddy fluxes was estimated at 0.5gCm-2 day-1, but the uncertainty on assimilated estimates averaged 0.47 g Cm-2 day-1, and

  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. Direct analysis in real time coupled to multiplexed drift tube ion mobility spectrometry for detecting toxic chemicals.

    PubMed

    Harris, Glenn A; Kwasnik, Mark; Fernández, Facundo M

    2011-03-15

    Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 μs gate injections and a 4.5-fold for 400 μs gate injections. PMID:21319810

  5. An analysis of the chemical safety of secondary effluent for reuse purposes and the requirement for advanced treatment.

    PubMed

    Jin, Pengkang; Jin, Xin; Wang, Xiaochang C; Shi, Xinbin

    2013-04-01

    This paper presents a study on the chemical safety of the secondary effluent for reuse purposes and the requirement of advanced treatment. Water quality analysis was conducted regarding conventional chemical items, hazardous metals, trace organics and endocrine disrupting chemicals (EDCs). Generally speaking, the turbidity, COD, BOD, TN and TP of the secondary effluent can meet the Chinese standards for urban miscellaneous water reuse but higher colour is a problem. Further removal of BOD and TP may still be required if the water is reused for landscape and environmental purposes especially relating to recreation. In addition, Hazardous metals, trace organics and endocrine disrupting chemicals (EDCs) are not the main problems for water reuse. At the same time, several tertiary treatment processes were evaluated. The coagulation-filtration process is effective process for further improvement of the conventional water quality items and removal of hazardous metals but less effective in dealing with dissolved organic matter. The ultrafiltration (UF) can achieve almost complete removal of turbid matter while its ability to remove dissolved substances is limited. The ozone-biofiltration is the most effective for colour and organic removal but it can hardly remove the residual hazardous metals. Therefore, the selection of suitable process for different water quality is important for water use. PMID:23384543

  6. How Clean is Safe? Improving the Effectiveness of Decontamination of Structures and People Following Chemical and Biological Incidents

    SciTech Connect

    Vogt , B.M.

    2003-04-03

    This report describes a U.S. Department of Energy, (DOE) Chemical and Biological National Security Program project that sought to establish what is known about decontamination of structures, objects, and people following an exposure to chemical or biological materials. Specifically we sought to identify the procedures and protocols used to determine when and how people or buildings are considered ''clean'' following decontamination. To fulfill this objective, the study systematically examined reported decontamination experiences to determine what procedures and protocols are currently employed for decontamination, the timeframe involved to initiate and complete the decontamination process, how the contaminants were identified, the factors determining when people were (or were not) decontaminated, the problems encountered during the decontamination process, how response efforts of agencies were coordinated, and the perceived social psychological effects on people who were decontaminated or who participated in the decontamination process. Findings and recommendations from the study are intended to aid decision-making and to improve the basis for determining appropriate decontamination protocols for recovery planners and policy makers for responding to chemical and biological events.

  7. Basic mechanisms of photosynthesis and applications to improved production and conversion of biomass to fuels and chemical products

    SciTech Connect

    El-Sayed, M.; Greenbaum, E.; Wasielewski, M.

    1996-09-01

    Natural photosynthesis, the result of 3.5 billion years of evolutionary experimentation, is the best proven, functional solar energy conversion technology. It is responsible for filling the vast majority of humanity`s energy, nutritional, and materials needs. Understanding the basic physical chemical principles underlying photosynthesis as a working model system is vital to further exploitation of this natural technology. These principles can be used to improve or modify natural photosynthesis so that it is more efficient or so that it can produce unusual products such as hydrogen, methane, methanol, ethanol, diesel fuel substitutes, biodegradable materials, or other high value chemical products. Principles garnered from the natural process can also be used to design artificial photosynthetic devices that employ analogs of natural antenna and reaction center function, self-assembly and repair concepts, photoinduced charge transfer processes, photoprotection, and dark reactions that facilitate catalytic action to convert light into, useful chemical or electrical energy. The present broad understanding of many structural and functional aspects of photosynthesis has resulted from rapid recent research progress. X-ray structures of several key photosynthetic reaction centers and antenna systems are available, and the overall principles controlling photoinduced energy and electron transfer are being established.

  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. Improvements in analysis of atmospheric peroxyacetyl nitrate (PAN)

    NASA Astrophysics Data System (ADS)

    Helmig, Detlev; Müller, Josef; Klein, Werner

    Common analytical techniques for PAN determination were modified in order to obtain a sensitive and automatic analysis system. PAN was synthesized by nitration of peracetic acid in hexane, The PAN/hexane solution was purified by water extraction. The quantification was performed determining acetate or nitrite by ion chromatography following alkaline hydrolysis. The validity was checked by liquid i.r. speetroscopy. NMR studies revealed a singulet signal at 2.27 ppm. The precision and sensitivity of the gas Chromatographic analyses were improved by the use of wide bore capillary columns coated with Carbowax 400. The developed system enables automatic and continuous PAN measurements at a 10 min sampling sequence and with a detection limit of 50 ppt.

  10. SSME turbopump technology improvements via transient rotordynamic analysis

    NASA Technical Reports Server (NTRS)

    Childs, D. W.

    1975-01-01

    The rotordynamic behavior of the high pressure oxygen turbopump and high pressure fuel pump was analyzed for the Space Shuttle Main Engine. The identification of potential rotordynamic problem areas which might arise during operation of these units prior to their testing was accomplished. Alternative procedures for correcting potential rotordynamic problems should they occur were investigated. An adequate analytic and physical understanding of the turbopump rotordynamics was developed to improve the probability of a correct diagnosis of rotordynamic problems from test data. Transient rotordynamic models were developed for both turbopumps. The transient models model the hydrodynamic forces of the turbopump seals. A linear stability analysis was performed for the turbopump rotordynamics models, which included gyroscopic effects, seal forces, speed-dependent bearing characteristics, and internal rotor damping. Results are presented and discussed.

  11. Benchmarking Of Improved DPAC Transient Deflagration Analysis Code

    SciTech Connect

    Laurinat, James E.; Hensel, Steve J.

    2013-03-21

    The transient deflagration code DPAC (Deflagration Pressure Analysis Code) has been upgraded for use in modeling hydrogen deflagration transients. The upgraded code is benchmarked using data from vented hydrogen deflagration tests conducted at the HYDRO-SC Test Facility at the University of Pisa. DPAC originally was written to calculate peak deflagration pressures for deflagrations in radioactive waste storage tanks and process facilities at the Savannah River Site. Upgrades include the addition of a laminar flame speed correlation for hydrogen deflagrations and a mechanistic model for turbulent flame propagation, incorporation of inertial effects during venting, and inclusion of the effect of water vapor condensation on vessel walls. In addition, DPAC has been coupled with CEA, a NASA combustion chemistry code. The deflagration tests are modeled as end-to-end deflagrations. The improved DPAC code successfully predicts both the peak pressures during the deflagration tests and the times at which the pressure peaks.

  12. Engineering furfural tolerance in Escherichia coli improves the fermentation of lignocellulosic sugars into renewable chemicals

    PubMed Central

    Wang, Xuan; Yomano, Lorraine P.; Lee, James Y.; York, Sean W.; Zheng, Huabao; Mullinnix, Michael T.; Shanmugam, K. T.; Ingram, Lonnie O.

    2013-01-01

    Pretreatments such as dilute acid at elevated temperature are effective for the hydrolysis of pentose polymers in hemicellulose and also increase the access of enzymes to cellulose fibers. However, the fermentation of resulting syrups is hindered by minor reaction products such as furfural from pentose dehydration. To mitigate this problem, four genetic traits have been identified that increase furfural tolerance in ethanol-producing Escherichia coli LY180 (strain W derivative): increased expression of fucO, ucpA, or pntAB and deletion of yqhD. Plasmids and integrated strains were used to characterize epistatic interactions among traits and to identify the most effective combinations. Furfural resistance traits were subsequently integrated into the chromosome of LY180 to construct strain XW129 (LY180 ΔyqhD ackA::PyadC′fucO-ucpA) for ethanol. This same combination of traits was also constructed in succinate biocatalysts (Escherichia coli strain C derivatives) and found to increase furfural tolerance. Strains engineered for resistance to furfural were also more resistant to the mixture of inhibitors in hemicellulose hydrolysates, confirming the importance of furfural as an inhibitory component. With resistant biocatalysts, product yields (ethanol and succinate) from hemicellulose syrups were equal to control fermentations in laboratory media without inhibitors. The combination of genetic traits identified for the production of ethanol (strain W derivative) and succinate (strain C derivative) may prove useful for other renewable chemicals from lignocellulosic sugars. PMID:23431191

  13. Engineering furfural tolerance in Escherichia coli improves the fermentation of lignocellulosic sugars into renewable chemicals.

    PubMed

    Wang, Xuan; Yomano, Lorraine P; Lee, James Y; York, Sean W; Zheng, Huabao; Mullinnix, Michael T; Shanmugam, K T; Ingram, Lonnie O

    2013-03-01

    Pretreatments such as dilute acid at elevated temperature are effective for the hydrolysis of pentose polymers in hemicellulose and also increase the access of enzymes to cellulose fibers. However, the fermentation of resulting syrups is hindered by minor reaction products such as furfural from pentose dehydration. To mitigate this problem, four genetic traits have been identified that increase furfural tolerance in ethanol-producing Escherichia coli LY180 (strain W derivative): increased expression of fucO, ucpA, or pntAB and deletion of yqhD. Plasmids and integrated strains were used to characterize epistatic interactions among traits and to identify the most effective combinations. Furfural resistance traits were subsequently integrated into the chromosome of LY180 to construct strain XW129 (LY180 ΔyqhD ackA::PyadC'fucO-ucpA) for ethanol. This same combination of traits was also constructed in succinate biocatalysts (Escherichia coli strain C derivatives) and found to increase furfural tolerance. Strains engineered for resistance to furfural were also more resistant to the mixture of inhibitors in hemicellulose hydrolysates, confirming the importance of furfural as an inhibitory component. With resistant biocatalysts, product yields (ethanol and succinate) from hemicellulose syrups were equal to control fermentations in laboratory media without inhibitors. The combination of genetic traits identified for the production of ethanol (strain W derivative) and succinate (strain C derivative) may prove useful for other renewable chemicals from lignocellulosic sugars. PMID:23431191

  14. Improvement of Atmospheric CO2 Inversion Analysis at JMA

    NASA Astrophysics Data System (ADS)

    Nakamura, T.; Maki, T.; Machida, T.; Matsuda, H.; Sawa, Y.; Niwa, Y.

    2015-12-01

    The Japan Meteorological Agency (JMA) has developed a new inversion system of atmospheric CO2 mole fraction and flux for better understanding of global carbon budget and contribution to global carbon cycle studies. The new system introduces a newly developed on-line atmospheric tracer transport model (GSAM-TM). Its tracer transport process is directly coupled with a low resolution version (TL95) of JMA's operational global numerical weather prediction (NWP) model (JMA_GSM), using mass conservative semi-Lagrangian scheme and Arakawa-Shubert mass flux scheme for vertical convective transportation. It represents mass transportation, mass conservation, and structures of tracer distribution more precisely than JMA's previous transport model (CDTM), which is off-line tracer transport model using semi-Lagrangian scheme and Kuo-based convection scheme with multiplying globally uniform coefficient for mass conservation. The new system also introduces new a priori fluxes for fossil fuel consumption and oceanic CO2 exchange. In this study, we compare CO2 mole fraction field and flux estimates of the new system against that of current annual JMA analysis with CDTM. The new system represents better atmospheric CO2 distribution structure than the current system does especially vertical gradient around tropopause. Due to improvement of fossil fuel CO2 diffusion estimates, analyzed regional budget over Eurasian Continent changed clearly. Budgets for less observation area (South America and Africa) are also changed. Globally averaged atmospheric CO2 budget is not changed significantly. This new system is planned to be operationally implemented in 2016, and we will further improve the CO2 inversion analysis for understanding of carbon cycle.

  15. Improved iterative error analysis for endmember extraction from hyperspectral imagery

    NASA Astrophysics Data System (ADS)

    Sun, Lixin; Zhang, Ying; Guindon, Bert

    2008-08-01

    Automated image endmember extraction from hyperspectral imagery is a challenge and a critical step in spectral mixture analysis (SMA). Over the past years, great efforts were made and a large number of algorithms have been proposed to address this issue. Iterative error analysis (IEA) is one of the well-known existing endmember extraction methods. IEA identifies pixel spectra as a number of image endmembers by an iterative process. In each of the iterations, a fully constrained (abundance nonnegativity and abundance sum-to-one constraints) spectral unmixing based on previously identified endmembers is performed to model all image pixels. The pixel spectrum with the largest residual error is then selected as a new image endmember. This paper proposes an updated version of IEA by making improvements on three aspects of the method. First, fully constrained spectral unmixing is replaced by a weakly constrained (abundance nonnegativity and abundance sum-less-or-equal-to-one constraints) alternative. This is necessary due to the fact that only a subset of endmembers exhibit in a hyperspectral image have been extracted up to an intermediate iteration and the abundance sum-to-one constraint is invalid at the moment. Second, the search strategy for achieving an optimal set of image endmembers is changed from sequential forward selection (SFS) to sequential forward floating selection (SFFS) to reduce the so-called "nesting effect" in resultant set of endmembers. Third, a pixel spectrum is identified as a new image endmember depending on both its spectral extremity in the feature hyperspace of a dataset and its capacity to characterize other mixed pixels. This is achieved by evaluating a set of extracted endmembers using a criterion function, which is consisted of the mean and standard deviation of residual error image. Preliminary comparison between the image endmembers extracted using improved and original IEA are conducted based on an airborne visible infrared imaging

  16. The NASA aircraft noise prediction program improved propeller analysis system

    NASA Technical Reports Server (NTRS)

    Nguyen, L. Cathy

    1991-01-01

    The improvements and the modifications of the NASA Aircraft Noise Prediction Program (ANOPP) and the Propeller Analysis System (PAS) are described. Comparisons of the predictions and the test data are included in the case studies for the flat plate model in the Boundary Layer Module, for the effects of applying compressibility corrections to the lift and pressure coefficients, for the use of different weight factors in the Propeller Performance Module, for the use of the improved retarded time equation solution, and for the effect of the number grids in the Transonic Propeller Noise Module. The DNW tunnel test data of a propeller at different angles of attack and the Dowty Rotol data are compared with ANOPP predictions. The effect of the number of grids on the Transonic Propeller Noise Module predictions and the comparison of ANOPP TPN and DFP-ATP codes are studied. In addition to the above impact studies, the transonic propeller noise predictions for the SR-7, the UDF front rotor, and the support of the enroute noise test program are included.

  17. An Improved, Automated Whole-Air Sampler and VOC Analysis System: Results from SONGNEX 2015

    NASA Astrophysics Data System (ADS)

    Lerner, B. M.; Gilman, J.; Tokarek, T. W.; Peischl, J.; Koss, A.; Yuan, B.; Warneke, C.; Isaacman-VanWertz, G. A.; Sueper, D.; De Gouw, J. A.; Aikin, K. C.

    2015-12-01

    Accurate measurement of volatile organic compounds (VOCs) in the troposphere is critical for the understanding of emissions and physical and chemical processes that can impact both air quality and climate. Airborne VOC measurements have proven challenging due to the requirements of short sample collection times (=10 s) to maximize spatial resolution and sampling frequency and high sensitivity (pptv) to chemically diverse hydrocarbons, halocarbons, oxygen- and nitrogen-containing VOCs. NOAA ESRL CSD has built an improved whole air sampler (iWAS) which collects compressed ambient air samples in electropolished stainless steel canisters, based on the NCAR HAIS Advanced Whole Air Sampler [Atlas and Blake]. Post-flight chemical analysis is performed with a custom-built gas chromatograph-mass spectrometer system that pre-concentrates analyte cryostatically via a Stirling cooler, an electromechanical chiller which precludes the need for liquid nitrogen to reach trapping temperatures. For the 2015 Shale Oil and Natural Gas Nexus Study (SONGNEX), CSD conducted iWAS measurements on 19 flights aboard the NOAA WP-3D aircraft between March 19th and April 27th. Nine oil and natural gas production regions were surveyed during SONGNEX and more than 1500 air samples were collected and analyzed. For the first time, we employed real-time mapping of sample collection combined with live data from fast time-response measurements (e.g. ethane) for more uniform surveying and improved target plume sampling. Automated sample handling allowed for more than 90% of iWAS canisters to be analyzed within 96 hours of collection - for the second half of the campaign improved efficiencies reduced the median sample age at analysis to 36 hours. A new chromatography peak-fitting software package was developed to minimize data reduction time by an order of magnitude without a loss of precision or accuracy. Here we report mixing ratios for aliphatic and aromatic hydrocarbons (C2-C8) along with select

  18. Improved AMOLED with aligned poly-Si thin-film transistors by laser annealing and chemical solution treatments

    NASA Astrophysics Data System (ADS)

    Wu, G. M.; Chen, C. N.; Feng, W. S.; Lu, H. C.

    2009-12-01

    Low-temperature polycrystalline silicon (LTPS) thin-film transistors (TFT) were prepared for the active-matrix organic light-emitting displays (AMOLED). The excimer laser annealing (ELA) recrystallization technique was employed with a chemical solution treatment process to improve the TFT characteristic uniformity and the AMOLED display image quality. The characteristics of the poly-Si array thin films were influenced by XeCl ELA optic module design, TFT device channel direction, and laser irradiation overlap ratio. The ELA system module provided aligned poly-Si grain size of 0.3 μm by the homogenization lens design. The chemical solution treatment process included a dilute HF solution (DHF), ozone (O 3) water, and buffer oxide etching solution (BOE). The PMOS TFT showed better field effect mobility of 87.6 cm 2/V s, and the threshold voltage was -1.35 V. The off current ( Ioff) was 1.25×10 -11 A, and the on/off current ratio was 6.27×10 6. In addition, the image quality of the AMOLED display was highly improved using the 2T1C structure design without any compensation circuit.

  19. [Effects of composting with earthworm on the chemical and biological properties of agricultural organic wastes: a principal component analysis].

    PubMed

    Liu, Ting; Ren, Zong-Ling; Zhang, Chi; Chen, Xu-Fei; Zhou, Bo; Dai, Jun

    2012-03-01

    Taking mixed agricultural organic wastes cattle manure and rice straw (C:N = 28.7:1) as the substrate of earthworm Eisenia foetida, an experiment was conducted to study the effects of earthworm on the changes of the chemical and biological properties of wastes during vermi-composting. After 30 days of vermi-composting, the substrate' s pH and C/N decreased while the total P content increased significantly, and the total N, available N, dissolved organic carbon, available P content, microbial biomass-C, respiration rate, and microbial quotient increased by 8.5% , 2.6%, 1.8%, 6.3%, 21.2%, 4.4%, and 30.0% whereas the organic matter content and metabolic quotient decreased by 5.0% and 21.9%, respectively, as compared with natural composting. Vermi-composting made the substrate have higher invertase, acid phosphatase, and alkaline phosphatase activities but lower catalase and urease activities. Principal component analysis and discriminant analysis confirmed the significant differences in the substrate' s chemical and biological properties between vermi-composting and natural composting. This study indicated that vermi-composting was superior to natural composting, which could obviously improve the chemical and biological properties of composted organic materials, being a high efficient technology for the management of agricultural organic wastes. PMID:22720625

  20. 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