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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. 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.

  4. Chemical exchange program analysis.

    SciTech Connect

    Waffelaert, Pascale

    2007-09-01

    As part of its EMS, Sandia performs an annual environmental aspects/impacts analysis. The purpose of this analysis is to identify the environmental aspects associated with Sandia's activities, products, and services and the potential environmental impacts associated with those aspects. Division and environmental programs established objectives and targets based on the environmental aspects associated with their operations. In 2007 the most significant aspect identified was Hazardous Materials (Use and Storage). The objective for Hazardous Materials (Use and Storage) was to improve chemical handling, storage, and on-site movement of hazardous materials. One of the targets supporting this objective was to develop an effective chemical exchange program, making a business case for it in FY07, and fully implementing a comprehensive chemical exchange program in FY08. A Chemical Exchange Program (CEP) team was formed to implement this target. The team consists of representatives from the Chemical Information System (CIS), Pollution Prevention (P2), the HWMF, Procurement and the Environmental Management System (EMS). The CEP Team performed benchmarking and conducted a life-cycle analysis of the current management of chemicals at SNL/NM and compared it to Chemical Exchange alternatives. Those alternatives are as follows: (1) Revive the 'Virtual' Chemical Exchange Program; (2) Re-implement a 'Physical' Chemical Exchange Program using a Chemical Information System; and (3) Transition to a Chemical Management Services System. The analysis and benchmarking study shows that the present management of chemicals at SNL/NM is significantly disjointed and a life-cycle or 'Cradle-to-Grave' approach to chemical management is needed. This approach must consider the purchasing and maintenance costs as well as the cost of ultimate disposal of the chemicals and materials. A chemical exchange is needed as a mechanism to re-apply chemicals on site. This will not only reduce the quantity of

  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. 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.

  7. An improved version of the consequence analysis model for chemical emergencies, ESCAPE

    NASA Astrophysics Data System (ADS)

    Kukkonen, J.; Nikmo, J.; Riikonen, K.

    2017-02-01

    We present a refined version of a mathematical model called ESCAPE, "Expert System for Consequence Analysis and Preparing for Emergencies". The model has been designed for evaluating the releases of toxic and flammable gases into the atmosphere, their atmospheric dispersion and the effects on humans and the environment. We describe (i) the mathematical treatments of this model, (ii) a verification and evaluation of the model against selected experimental field data, and (iii) a new operational implementation of the model. The new mathematical treatments include state-of-the-art atmospheric vertical profiles and new submodels for dense gas and passive atmospheric dispersion. The model performance was first successfully verified using the data of the Thorney Island campaign, and then evaluated against the Desert Tortoise campaign. For the latter campaign, the geometric mean bias was 1.72 (this corresponds to an underprediction of approximately 70%) and 0.71 (overprediction of approximately 30%) for the concentration and the plume half-width, respectively. The geometric variance was <1.5 (this corresponds to an agreement that is better than a factor of two). These values can be considered to indicate a good agreement of predictions and data, in comparison to values evaluated for a range of other similar models. The model has also been adapted to be able to automatically use the real time predictions and forecasts of the numerical weather prediction model HIRLAM, "HIgh Resolution Limited Area Model". The operational implementation of the ESCAPE modelling system can be accessed anywhere using internet browsers, on laptop computers, tablets and mobile phones. The predicted results can be post-processed using geographic information systems. The model has already proved to be a useful tool of assessment for the needs of emergency response authorities in contingency planning.

  8. Multivariate Quantitative Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Kinchen, David G.; Capezza, Mary

    1995-01-01

    Technique of multivariate quantitative chemical analysis devised for use in determining relative proportions of two components mixed and sprayed together onto object to form thermally insulating foam. Potentially adaptable to other materials, especially in process-monitoring applications in which necessary to know and control critical properties of products via quantitative chemical analyses of products. In addition to chemical composition, also used to determine such physical properties as densities and strengths.

  9. Numerical analysis on the beam quality improvements of high power chemical laser system with water cooled mirrors

    NASA Astrophysics Data System (ADS)

    Han, Kai; Li, Bin; Xu, Xiao-jun

    2011-06-01

    Chemical laser is one of the most widely used high power infrared sources. Thermal deformation of mirrors in a resonator is a key factor which hinders the improvement of the beam quality in high power chemical lasers, and it has been a matter of the utmost concern in the design of high power chemical laser systems. Water-cooled technique is one of the most widely methods employed in cooling mirrors in high power laser systems. Several kinds of water-cooled mirrors have been studied by researchers in the world. Research teams of the United States and Russia have done a lot of work and their water cooled mirrors behave very well. In China, the study of micro-channel water cooled silicon mirror has been carried out by Cheng Zuhai in detail and the research of water jet cooled mirror has been performed by Li Bin. Both the two types of water cooled mirrors show excellent capabilities in alleviating the thermal deformation of mirrors. However, the issues that how and to what extent the beam quality is improved when the water cooled mirrors are involved have not been analyzed so far. In this paper, through numerical simulations, the beam qualities of linear resonators with various types of water cooled mirrors are analyzed in detail, and the effects of the two types of water cooled mirrors are compared. The thermal distortion of uncooled Si mirrors is characterized by Zernike polynomials and the beam quality is characterized with Strehl ratio, β factor, and M2 factor, which degenerates as the beam oscillates in the distorted resonator. The aberrance of mirrors non-uniformly heated by high energy laser mainly distributes on the low-even-order Zernike polynomials. When the uncooled Si mirrors are replaced by water cooled mirrors, the distortion decreases greatly and the beam quality is improved a lot. Although the performance of the water jet cooled mirror on mitigating distortion is better than the micro-channel water cooled mirror, the resonator made up of two water jet

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Chemical and Thermal Analysis

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

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

  17. Chemical Sensing in Process Analysis.

    ERIC Educational Resources Information Center

    Hirschfeld, T.; And Others

    1984-01-01

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

  18. Improvement of Expansive Soils Using Chemical Stabilizers

    NASA Astrophysics Data System (ADS)

    Ikizler, S. B.; Senol, A.; Khosrowshahi, S. K.; Hatipoğlu, M.

    2014-12-01

    The aim of this study is to investigate the effect of two chemical stabilizers on the swelling potential of expansive soil. A high plasticity sodium bentonite was used as the expansive soil. The additive materials including fly ash (FA) and lime (L) were evaluated as potential stabilizers to decrease the swelling pressure of bentonite. Depending on the type of additive materials, they were blended with bentonite in different percentages to assess the optimum state and approch the maximum swell pressure reduction. According to the results of swell pressure test, both fly ash and lime reduce the swelling potential of bentonite but the maximum improvement occurs using bentonite-lime mixture while the swelling pressure reduction approaches to 49%. The results reveal a significant reduction of swelling potential of expansive soil using chemical stabilizers. Keywords: Expansive soil; swell pressure; chemical stabilization; fly ash; lime

  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. Pervaporation in chemical analysis.

    PubMed

    Sae-Khow, Ornthida; Mitra, Somenath

    2010-04-16

    Unlike thermal processes such as distillation, pervaporation relies on the relative rates of solute permeation through a membrane and is a combination of evaporation and gas diffusion. The analytical pervaporation systems consist of a membrane module suitable for liquid sample introduction and a vacuum (or a sweeping gas) on the permeate side. It has been used in a wide range of applications including the analysis of various organic and inorganic compounds, and sample concentration. It has been directly interfaced with gas chromatography, spectrophotometry, capillary electrophoresis, electrochemical detectors, liquid chromatography, and mass spectrometry. A wide range of liquids, slurries, and solids samples has been analyzed using these techniques. This review highlights the basic principles of the pervaporation and the state of its current development as applied to analytical chemistry.

  1. Droplet microfluidics in (bio)chemical analysis.

    PubMed

    Basova, Evgenia Yu; Foret, Frantisek

    2015-01-07

    Droplet microfluidics may soon change the paradigm of performing chemical analyses and related instrumentation. It can improve not only the analysis scale, possibility for sensitivity improvement, and reduced consumption of chemical and biological reagents, but also the speed of performing a variety of unit operations. At present, microfluidic platforms can reproducibly generate monodisperse droplet populations at kHz or higher rates with droplet sizes suitable for high-throughput experiments, single-cell detection or even single molecule analysis. In addition to being used as microreactors with volume in the micro- to femtoliter range, droplet based systems have also been used to directly synthesize particles and encapsulate biological entities for biomedicine and biotechnology applications. This minireview summarizes various droplet microfluidics operations and applications for (bio)chemical assays described in the literature during the past few years.

  2. 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.

  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 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 (53)Cr/(52)Cr (μ(53)Cr* of 5.2 ppm) and (54)Cr/(52)Cr (μ(54)Cr* 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 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. 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

  5. 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

  6. Simplified quantification of labile proton concentration-weighted chemical exchange rate (k(ws) ) 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

    Sun, Phillip Zhe

    2012-04-01

    Chemical exchange saturation transfer MRI is an emerging imaging technique capable of detecting dilute proteins/peptides and microenvironmental properties, with promising in vivo applications. However, chemical exchange saturation transfer 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 radiofrequency (RF) irradiation scheme. Furthermore, the optimal RF irradiation power depends on the exchange rate, which must be estimated in order to optimize the chemical exchange saturation transfer 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 extended the QUEST algorithm with ratiometric analysis (QUESTRA) that normalizes the magnetization transfer ratio 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 (k(ws) ), with little dependence on bulk water T(1) , T(2) , RF power and chemical shift. The proposed algorithm was confirmed numerically, and validated experimentally using a tissue-like phantom of serially titrated pH compartments.

  7. Gas phase chemical detection with an integrated chemical analysis system

    SciTech Connect

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    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 preconcentrator 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.

  8. [Laboratory chemical analysis in ascites].

    PubMed

    Satz, N

    1991-04-13

    Chemical analysis of ascitic fluid may be helpful in determining the underlying disease. We discuss the diagnostic accuracy of the common and newer chemical parameters (protein, LDH, lactate, glucose, cholesterol, triglycerides, phospholipids, fibronectin, albumin gradient [value of serum minus value of ascites], ferritin, tumor markers, immunomodulators, leukocytes, bacterial and cytologic examinations). We also review the pathogenesis and clinical findings of the most frequent ascites forms (benign hepatic, infective, malignant ascites, ascites associated with liver metastases or hepatocellular carcinoma, cardiac and pancreatic ascites) and the most important diagnosis criteria. In the malignant ascites a high cholesterol, a narrow albumin gradient or a high ferritin value have high diagnostic accuracy, but diagnosis is by the finding of malignant cells. For the diagnosis of infective ascites, bacteriology is mandatory even though the results are negative in most cases, particularly in spontaneous bacterial peritonitis where diagnosis has to be established clinically, by a low pH or by a high leukocyte count. Benign hepatic ascites is diagnosed by demonstrating an underlying chronic liver disease and laboratory examinations of the peritoneal fluid to exclude other causes. The laboratory tests in ascites associated with liver metastases or with hepatocellular carcinoma were similar to those in benign hepatic ascites and the two ascites forms must be separated by other clinical and technical findings. Pancreatic ascites can easily be distinguished from the other forms by the high amylase and lipase content.

  9. Chemical sensing in process analysis.

    PubMed

    Hirschfeld, T; Callis, J B; Kowalski, B R

    1984-10-19

    Improvements in process control, which determine production efficiency and product quality, are critically dependent upon on-line process analysis. The technology of the required instrumentation will be substantially expanded by advances in sensing devices. In the future, the hardware will consist of sensor arrays and miniaturized instruments fabricated by microlithography and silicon micromachining. Chemometrics will be extensively used in software to provide error detection, selfcalibration, and correction as well as multivariate data analysis for the determination of anticipated and unanticipated species. A number of examples of monolithically fabricated sensors now exist and more will be forthcoming as the new paradigms and new tools are widely adopted. A trend toward not only on-line but even in-product sensors is becoming discernible.

  10. Chemical modification of oxalate decarboxylase to improve adsorption capacity.

    PubMed

    Lin, Rihui; He, Junbin; Wu, Jia; Cai, Xinghua; Long, Han; Chen, Shengfeng; Liu, Haiqian

    2017-02-03

    In order to enhance the adsorption capacity of oxalate decarboxylase (Oxdc) on calcium oxalate monohydrate crystals and improve the application performance of Oxdc, chemical modification of Oxdc with ethylenediaminetetraacetic dianhydride (EDTAD) was investigated in this work. The sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and liquid chromatography tandem mass spectrometry (LC/MS) analysis results demonstrated that Oxdc and EDTAD have been covalently bound, and suggested that the chemical modification occurred at the free amino of the side chain and the α-amine of the N-terminus of Oxdc. Fluorescene and circular dichroic measurement showed that the structure and conformation of Oxdc were tinily altered after modification by EDTAD. The optimum pH of EDTAD-modified Oxdc was shifted to the alkaline side about 1.5 unit and it has a higher thermostability. The analysis of kinetic parameters indicated that the EDTAD-modified Oxdc showed a higher affinity towards the substrate. Through modification the adsorption capacity of Oxdc onto CaOx monohydrate crystals was increased by 42.42%.

  11. 78 FR 48029 - Improving Chemical Facility Safety and Security

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-07

    ..., chemical facility owners and operators, and local and tribal communities to work together to improve..., local, and tribal governments and private sector partners, where joint collaborative programs can be... information sharing and collaborative planning between chemical facility owners and operators, TEPCs,...

  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. 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...

  14. 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.

  15. 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.

  16. Dealing with Uncertainty in Chemical Risk Analysis

    DTIC Science & Technology

    1988-12-01

    0 * (OF 41 C-DEALING WITH UNCERTAINTY IN - CHEMICAL RISK ANALYSIS THESIS David S. Clement Captain, USAF AFIT/GOR/MA/8CD-2 DT[C. ~ELECTEf 2 9 MAR 18...AFIT/GOR/MA/88D-2 DEALING WITH UNCERTAINTY IN CHEMICAL RISK ANALYSIS THESIS David S. Clement Captain, USAF AFIT/GOR/MA/88D-2 DTIC V ~ 27989 Approved...for public release; distribution unlimited S . AFIT/GOR/KA/88D-2 DEALING WITH UNCERTAINTY IN CHEMICAL RISK ANALYSIS THESIS Presented to the Faculty

  17. 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)

  18. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

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

    2017-01-01

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

  19. 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.

  20. Spectangular - Spectral Disentangling For Detailed Chemical Analysis Of Binaries

    NASA Astrophysics Data System (ADS)

    Sablowski, Daniel

    2016-08-01

    Disentangling of spectra helps to improve the orbit parameters and allows detailed chemical analysis. Spectangular is a GUI program written in C++ for spectral disentangling of spectra of SB1 and SB2 systems. It is based on singular value decomposition in the wavelength space and is coupled to an orbital solution.The results are the component spectra and the orbital parameters.

  1. Improving confidence in (Q)SAR predictions under Canada's Chemicals Management Plan - a chemical space approach.

    PubMed

    Kulkarni, S A; Benfenati, E; Barton-Maclaren, T S

    2016-10-20

    One of the key challenges of Canada's Chemicals Management Plan (CMP) is assessing chemicals with limited/no empirical hazard data for their risk to human health. In some instances, these chemicals have not been tested broadly for their toxicological potency; as such, limited information exists on their potential to induce human health effects following exposure. Although (quantitative) structure activity relationship ((Q)SAR) models are able to generate predictions to address data gaps for certain toxicological endpoints, the confidence in predictions also needs to be addressed. One way to address this issue is to apply a chemical space approach. This approach uses international toxicological databases, for example, those available in the Organisation for Economic Co-operation and Development (OECD) QSAR Toolbox. The approach,assesses a model's ability to predict the potential hazards of chemicals that have limited hazard data that require assessment under the CMP when compared to a larger, data-rich chemical space that is structurally similar to chemicals of interest. This evaluation of a model's predictive ability makes (Q)SAR analysis more transparent and increases confidence in the application of these predictions in a risk-assessment context. Using this approach, predictions for such chemicals obtained from four (Q)SAR models were successfully classified into high, medium and low confidence levels to better inform their use in decision-making.

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

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

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

  3. 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

  4. 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.

  5. 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.

  6. An extended chemical analysis of gallstone.

    PubMed

    Chandran, P; Kuchhal, N K; Garg, P; Pundir, C S

    2007-09-01

    Chemical composition of gall stones is essential for aetiopathogensis of gallstone disease. We have reported quantitative chemical analysis of total cholesterol bilirubin, calcium, iron and inorganic phosphate in 120 gallstones from haryana. To extend this chemical analysis of gall stones by studying more cases and by analyzing more chemical constituents. A quantitative chemical analysis of total cholesterol, total bilirubin, fatty acids, triglycerides, phospholipids, bile acids, soluble proteins, sodium potassium, magnesium, copper, oxalate and chlorides of biliary calculi (52 cholesterol, 76 mixed and 72 pigment) retrieved from surgical operation of 200 patients from Haryana state was carried out. Total cholesterol as the major component and total bilirubin, phospholipids, triglycerides, bile acids, fatty acids (esterified), soluble protein, calcium, magnesium, iron, copper, sodium, potassium, inorganic phosphate, oxalate and chloride as minor components were found in all types of calculi. The cholesterol stones had higher content of total cholesterol, phospholipids, fatty acids (esterified), inorganic phosphate and copper compared to mixed and pigment stones. The mixed stones had higher content of iron and triglycerides than to cholesterol and pigment stones. The pigment stones were richer in total bilirubin, bile acids, calcium, oxalate, magnesium, sodium, potassium, chloride and soluble protein compared to cholesterol and mixed stones. Although total cholesterol was a major component of cholesterol, mixed and pigment gall stone in Haryana, the content of most of the other lipids, cations and anions was different in different gall stones indicating their different mechanism of formation.

  7. 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... for Evaluating Solid Waste, or a method validated under subpart Q of this part. Use Method 8082...

  8. 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...

  9. 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...

  10. 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... Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.253...

  11. 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... Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.253...

  12. 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.

  13. Chemical Demilitarization - Assembled Chemical Weapons Assessment (ACWA): Root Cause Analysis

    DTIC Science & Technology

    2011-07-01

    Anniston Army Depot in Alabama, Umatilla Chemical Depot in Oregon, and Deseret Chemical Depot in Utah. The chemical weapons in these facilities account...program office has allocated additional costs for closure based on data from the closure process at the Umatilla and Anniston Chemical Agent Disposal...contractor, PCAPP is approximately five times as complex than the Anniston incineration facility and BGCAPP is roughly ten times as complex.7 As an

  14. 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.

  15. Optofluidics in bio-chemical analysis

    NASA Astrophysics Data System (ADS)

    Guo, Yunbo; Fan, Xudong

    2012-01-01

    Optofluidics organically integrates microfluidics and photonics and is an emerging technology in biological and chemical analysis. In this paper, we overview the recent studies in bio-chemical sensing applications of optofluidics. Particularly, we report the research progress in our lab in developing diverse optofluidic devices using two unique configurations: thin-walled capillary based optofluidic ring resonator (OFRR) and multi-hole capillary based optofluidic platforms. The first one has been developed to be OFRR-based label-free biosensor, microfluidic laser based intra-cavity sensors, and on-column optical detectors for micro-gas chromatography (μGC), while the second one has been developed to be optofluidic Fabry-Pérot based label-free biosensor and optofluidic Surface-Enhanced Raman Spectroscopy (SERS) biosensor. All of these devices take advantage of superior fluidic handling capability and high sensitivity, and have been used in detecting various biological and chemical analytes in either liquid or vapor phase.

  16. Electron Spectroscopy: Applications for Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Hercules, David M.

    2004-12-01

    The development of X-ray photoelectron spectroscopy (ESCA, XPS) is reviewed from an historical perspective that is relevant to its use for analytical chemistry. The emphasis is on early development of the technique, primarily during the period, 1964 1977. During these years there were significant developments in instrumentation, accompanied by significant advances in understanding the fundamentals of the technique. First, a historical perspective is presented to establish the backdrop against which XPS was developed. The early work in the field dealt mainly with measuring and understanding chemical shifts for elements and particularly for organic compounds. This was an exciting time because XPS appeared to provide chemical information unavailable otherwise. A detailed summary of some of the early work on chemical shifts is presented. It was also established that XPS could be used for quantitative analysis of elements, compounds, and different oxidation states of the same element. As the development of XPS occurred, emphasis changed from measuring chemical shifts to developing XPS as a surface analytical tool, a role that it fills today. Early applications to the analysis of catalysts and polymers, use to study adsorption and surface reactions, application of XPS to electrochemistry and corrosion, and studies of atmospheric particulates are all reviewed.

  17. Optofluidic Microsystems for Chemical and Biological Analysis

    PubMed Central

    Fan, Xudong; White, Ian M.

    2011-01-01

    Optofluidics – the synergistic integration of photonics and microfluidics – has recently emerged as a new analytical field that provides a number of unique characteristics for enhanced sensing performance and simplification of microsystems. In this review, we describe various optofluidic architectures developed in the past five years, emphasize the mechanisms by which optofluidics enhances bio/chemical analysis capabilities, including sensing and the precise control of biological micro/nanoparticles, and envision new research directions to which optofluidics leads. PMID:22059090

  18. Quantum Chemical Strain Analysis For Mechanochemical Processes.

    PubMed

    Stauch, Tim; Dreuw, Andreas

    2017-03-24

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

  19. Method for combined biometric and chemical analysis of human fingerprints.

    PubMed

    Staymates, Jessica L; Orandi, Shahram; Staymates, Matthew E; Gillen, Greg

    This paper describes a method for combining direct chemical analysis of latent fingerprints with subsequent biometric analysis within a single sample. The method described here uses ion mobility spectrometry (IMS) as a chemical detection method for explosives and narcotics trace contamination. A collection swab coated with a high-temperature adhesive has been developed to lift latent fingerprints from various surfaces. The swab is then directly inserted into an IMS instrument for a quick chemical analysis. After the IMS analysis, the lifted print remains intact for subsequent biometric scanning and analysis using matching algorithms. Several samples of explosive-laden fingerprints were successfully lifted and the explosives detected with IMS. Following explosive detection, the lifted fingerprints remained of sufficient quality for positive match scores using a prepared gallery consisting of 60 fingerprints. Based on our results (n = 1200), there was no significant decrease in the quality of the lifted print post IMS analysis. In fact, for a small subset of lifted prints, the quality was improved after IMS analysis. The described method can be readily applied to domestic criminal investigations, transportation security, terrorist and bombing threats, and military in-theatre settings.

  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. 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.

  2. Analysis of Chemical Technology Division waste streams

    SciTech Connect

    Abraham, T.J.; Donaldson, T.L.; Walker, A.B.; Cummins, R.L.; Reeves, M.E.; Hylton, T.D.

    1990-07-01

    This document is a summary of the sources, quantities, and characteristics of the wastes generated by the Chemical Technology Division (CTD) of the Oak Ridge National Laboratory. The major contributors of hazardous, mixed, and radioactive wastes in the CTD as of the writing of this document were the Chemical Development Section, the Isotopes Section, and the Process Development Section. The objectives of this report are to identify the sources and the summarize the quantities and characteristics of hazardous, mixed, gaseous, and solid and liquid radioactive wastes that are generated by the Chemical Technology Division (CTD) of the Oak Ridge National Laboratory (ORNL). This study was performed in support of the CTD waste-reduction program -- the goals of which are to reduce both the volume and hazard level of the waste generated by the division. Prior to the initiation of any specific waste-reduction projects, an understanding of the overall waste-generation system of CTD must be developed. Therefore, the general approach taken in this study is that of an overall CTD waste-systems analysis, which is a detailed presentation of the generation points and general characteristics of each waste stream in CTD. The goal of this analysis is to identify the primary waste generators in the division and determine the most beneficial areas to initiate waste-reduction projects. 4 refs., 4 figs., 13 tabs.

  3. 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.

  4. 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

  5. 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...

  6. Improvement of Rocket Engine Plume Analysis Techniques

    NASA Technical Reports Server (NTRS)

    Smith, S. D.

    1982-01-01

    A nozzle plume flow field code was developed. The RAMP code which was chosen as the basic code is of modular construction and has the following capabilities: two phase with two phase transonic solution; a two phase, reacting gas (chemical equilibrium reaction kinetics), supersonic inviscid nozzle/plume solution; and is operational for inviscid solutions at both high and low altitudes. The following capabilities were added to the code: a direct interface with JANNAF SPF code; shock capturing finite difference numerical operator; two phase, equilibrium/frozen, boundary layer analysis; a variable oxidizer to fuel ratio transonic solution; an improved two phase transonic solution; and a two phase real gas semiempirical nozzle boundary layer expansion.

  7. Improving cabazitaxel chemical stability in parenteral lipid emulsions using cholesterol.

    PubMed

    Shao, Yanjie; Zhang, Chungang; Yao, Qing; Wang, Yueqi; Tian, Bin; Tang, Xing; Wang, Yanjiao

    2014-02-14

    Intravenous lipid emulsions of cabazitaxel (CLEs) with a high stability were prepared by adding cholesterol (CH) to provide a new and more suitable delivery system for its administration. The factors affecting CLEs, such as the solubility of cabazitaxel in various oils, different kinds of lecithin, pH, different types of oil phases, and different concentrations of lipoid E80®, CH and poloxamer 188 were investigated systematically. The degradation of cabazitaxel in aqueous solution and lipid emulsion both followed pseudo first-order kinetics. A degradation mechanism was suggested by the U-shaped pH-rate profile of cabazitaxel. A formulation containing 0.5% (w/v) CH and another formulation without CH were made to investigate the protective influence of CH on the chemical stability of CLEs. The activation energy of the two formulations was calculated to be 65.74±6.88 and 54.24±1.43 kJ/mol (n=3), respectively. Compared with the untreated CH, the shelf-life of cabazitaxel with added CH was longer, namely 134.0±23.4 days versus 831.4±204.4 days (n=3) at 4 °C. This indicates that the addition of CH significantly improved the lifetime of cabazitaxel in intravenous lipid emulsions. The hydrogen bonding that takes place between cabazitaxel and CH accounts for the protective effect of CH on the chemical stability of CLEs in two ways: preventing cabazitaxel from leaking and hydrolyzing in aqueous solution and hindering hydrolysis in the oil phase. Finally, the hypothesis was confirmed by LC/TOFMS and Fourier-transform infrared-spectroscopy. As a result, CLEs were obtained successfully by the addition of CH and were stable enough to allow further research.

  8. 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…

  9. Principal component analysis on chemical abundances spaces

    NASA Astrophysics Data System (ADS)

    Ting, Yuan-Sen; Freeman, Kenneth C.; Kobayashi, Chiaki; De Silva, Gayandhi M.; Bland-Hawthorn, Joss

    2012-04-01

    In preparation for the High Efficiency and Resolution Multi-Element Spectrograph (HERMES) chemical tagging survey of about a million Galactic FGK stars, we estimate the number of independent dimensions of the space defined by the stellar chemical element abundances [X/Fe]. This leads to a way to study the origin of elements from observed chemical abundances using principal component analysis. We explore abundances in several environments, including solar neighbourhood thin/thick disc stars, halo metal-poor stars, globular clusters, open clusters, the Large Magellanic Cloud and the Fornax dwarf spheroidal galaxy. By studying solar-neighbourhood stars, we confirm the universality of the r-process that tends to produce [neutron-capture elements/Fe] in a constant ratio. We find that, especially at low metallicity, the production of r-process elements is likely to be associated with the production of α-elements. This may support the core-collapse supernovae as the r-process site. We also verify the overabundances of light s-process elements at low metallicity, and find that the relative contribution decreases at higher metallicity, which suggests that this lighter elements primary process may be associated with massive stars. We also verify the contribution from the s-process in low-mass asymptotic giant branch (AGB) stars at high metallicity. Our analysis reveals two types of core-collapse supernovae: one produces mainly α-elements, the other produces both α-elements and Fe-peak elements with a large enhancement of heavy Fe-peak elements which may be the contribution from hypernovae. Excluding light elements that may be subject to internal mixing, K and Cu, we find that the [X/Fe] chemical abundance space in the solar neighbourhood has about six independent dimensions both at low metallicity (-3.5 ≲ [Fe/H] ≲-2) and high metallicity ([Fe/H] ≳-1). However the dimensions come from very different origins in these two cases. The extra contribution from low-mass AGB

  10. Mathematical correction for fingerprint similarity measures to improve chemical retrieval.

    PubMed

    Swamidass, S Joshua; Baldi, Pierre

    2007-01-01

    In many modern chemoinformatics systems, molecules are represented by long binary fingerprint vectors recording the presence or absence of particular features or substructures, such as labeled paths or trees, in the molecular graphs. These long fingerprints are often compressed to much shorter fingerprints using a simple modulo operation. As the length of the fingerprints decreases, their typical density and overlap tend to increase, and so does any similarity measure based on overlap, such as the widely used Tanimoto similarity. Here we show that this correlation between shorter fingerprints and higher similarity can be thought of as a systematic error introduced by the fingerprint folding algorithm and that this systematic error can be corrected mathematically. More precisely, given two molecules and their compressed fingerprints of a given length, we show how a better estimate of their uncompressed overlap, hence of their similarity, can be derived to correct for this bias. We show how the correction can be implemented not only for the Tanimoto measure but also for all other commonly used measures. Experiments on various data sets and fingerprint sizes demonstrate how, with a negligible computational overhead, the correction noticeably improves the sensitivity and specificity of chemical retrieval.

  11. 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.

  12. 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.

  13. 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...

  14. Master equation analysis of deterministic chemical chaos

    NASA Astrophysics Data System (ADS)

    Wang, Hongli; Li, Qianshu

    1998-05-01

    The underlying microscopic dynamics of deterministic chemical chaos was investigated in this paper. We analyzed the master equation for the Williamowski-Rössler model by direct stochastic simulation as well as in the generating function representation. Simulation within an ensemble revealed that in the chaotic regime the deterministic mass action kinetics is related neither to the ensemble mean nor to the most probable value within the ensemble. Cumulant expansion analysis of the master equation also showed that the molecular fluctuations do not admit bounded values but increase linearly in time infinitely, indicating the meaninglessness of the chaotic trajectories predicted by the phenomenological equations. These results proposed that the macroscopic description is no longer useful in the chaotic regime and a more microscopic description is necessary in this circumstance.

  15. A chemical genetic roadmap to improved tomato flavor.

    PubMed

    Tieman, Denise; Zhu, Guangtao; Resende, Marcio F R; Lin, Tao; Nguyen, Cuong; Bies, Dawn; Rambla, Jose Luis; Beltran, Kristty Stephanie Ortiz; Taylor, Mark; Zhang, Bo; Ikeda, Hiroki; Liu, Zhongyuan; Fisher, Josef; Zemach, Itay; Monforte, Antonio; Zamir, Dani; Granell, Antonio; Kirst, Matias; Huang, Sanwen; Klee, Harry

    2017-01-27

    Modern commercial tomato varieties are substantially less flavorful than heirloom varieties. To understand and ultimately correct this deficiency, we quantified flavor-associated chemicals in 398 modern, heirloom, and wild accessions. A subset of these accessions was evaluated in consumer panels, identifying the chemicals that made the most important contributions to flavor and consumer liking. We found that modern commercial varieties contain significantly lower amounts of many of these important flavor chemicals than older varieties. Whole-genome sequencing and a genome-wide association study permitted identification of genetic loci that affect most of the target flavor chemicals, including sugars, acids, and volatiles. Together, these results provide an understanding of the flavor deficiencies in modern commercial varieties and the information necessary for the recovery of good flavor through molecular breeding.

  16. 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.

  17. Swedish chemical regulation: an overview and analysis.

    PubMed

    Löfstedt, Ragnar E

    2003-04-01

    This article begins with a review of the regulation of chemicals in Sweden over the past 30 years, focusing particularly on the 1997 Government Environmental Quality Bill, which called for a toxic-free society by the year 2020. The second part of the article analyzes why Sweden has taken this route. The third and final section discusses Sweden's present role in formulating present EU chemical regulation, such as the recent EU Chemical White Paper, and hypothesizes future impacts of Swedish chemical regulations on the EU itself.

  18. Improving Student Results in the Crystal Violet Chemical Kinetics Experiment

    ERIC Educational Resources Information Center

    Kazmierczak, Nathanael; Vander Griend, Douglas A.

    2017-01-01

    Despite widespread use in general chemistry laboratories, the crystal violet chemical kinetics experiment frequently suffers from erroneous student results. Student calculations for the reaction order in hydroxide often contain large asymmetric errors, pointing to the presence of systematic error. Through a combination of "in silico"…

  19. Chemical purification of Gunungpati elephant foot yam flour to improve physical and chemical quality on processed food

    NASA Astrophysics Data System (ADS)

    Paramita, Octavianti; Wahyuningsih, Ansori, Muhammad

    2017-03-01

    This study was aimed at improving the physicochemical quality of elephant foot yam flour in Gunungpati, Semarang by chemical purification. The utilization of elephant foot yam flour in several processed food was also discussed in this study. The flour purification discussed in this study was expected to become a reference for the manufacturers of elephant foot yam flour and its processed food in Gunungpati. This study modified the elephant foot yam flour using pre - gelatinization method. The physical and chemical quality of each elephant foot yam flour purification sample were assessed using proximate analysis. The likability test was conducted for its processed food. 20 grams of elephant foot yam flour was put into a beaker glass, then 60 ml of water was added. The suspension was then heated at a temperature of 60 ° C and 70 ° C while stirred until it was homogeneous and thickened for 10, 30 and 60 minutes. The flour which had been heated was then cooled at room temperature for 1 hour and then at a temperature of 0 ° C until it was frozen. Furthermore, flour was dried in an oven at a temperature of 60 ° C for 9 hours. The dried flour was sifted with a 80 mesh sieve. Chemical test was conducted after elephant foot yam was pre-gelatinized to determine changes in the quality flour: test levels of protein, fat, crude fiber content, moisture content, ash content and starch content. In addition, color tests and granular test on elephant foot yam flour were also conducted. The pre-gelatinization as chemical treatment on elephant foot yam flour in this study was able to change the functional properties of elephant foot yam flour towards a better processing characterized by a brighter color (L = 70, a = 6 and b = 12), the hydrolysis of polysaccharides flour into shorter chain (flour content decreased to 44%), the expansion of granules in elephant foot yam resulting in a process - ready flour, and better monolayer water content of 9%. The content of protein and fiber

  20. 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.

  1. 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.

  2. Chemical structure analysis of starch and cellulose derivatives.

    PubMed

    Mischnick, Petra; Momcilovic, Dane

    2010-01-01

    Starch and cellulose are the most abundant and important representatives of renewable biomass. Since the mid-19th century their properties have been changed by chemical modification for commercial and scientific purposes, and there substituted polymers have found a wide range of applications. However, the inherent polydispersity and supramolecular organization of starch and cellulose cause the products resulting from their modification to display high complexity. Chemical composition analysis of these mixtures is therefore a challenging task. Detailed knowledge on substitution patterns is fundamental for understanding structure-property relationships in modified cellulose and starch, and thus also for the improvement of reproducibility and rational design of properties. Substitution patterns resulting from kinetically or thermodynamically controlled reactions show certain preferences for the three available hydroxyl functions in (1→4)-linked glucans. Spurlin, seventy years ago, was the first to describe this in an idealized model, and nowadays this model has been extended and related to the next hierarchical levels, namely, the substituent distribution in and over the polymer chains. This structural complexity, with its implications for data interpretation, and the analytical approaches developed for its investigation are outlined in this article. Strategies and methods for the determination of the average degree of substitution (DS), monomer composition, and substitution patterns at the polymer level are presented and discussed with respect to their limitations and interpretability. Nuclear magnetic resonance spectroscopy, chromatography, capillary electrophoresis, and modern mass spectrometry (MS), including tandem MS, are the main instrumental techniques employed, in combination with appropriate sample preparation by chemical and enzymatic methods.

  3. Improved Analysis Algorithms for UXO Filler Identification

    DTIC Science & Technology

    2009-02-01

    ratio SPectrum Interpolation and DEconvolution Routine Thermal neutron analysis Tri- nitro toluene Technic~r Support Working Group micro Curies...pairs has similar chemical composition. 40 "" ,. I) I il.2 Q,3 0 .. O".S ~ (<\\) Histogram of confidence vallll.’ . (b) Probabili ty of COffee I

  4. Chemical Engineering Data Analysis Made Easy with DataFit

    ERIC Educational Resources Information Center

    Brenner, James R.

    2006-01-01

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

  5. 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...

  6. 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.

  7. Improved cellular response of chemically crosslinked collagen incorporated hydroxyethyl cellulose/poly(vinyl) alcohol nanofibers scaffold.

    PubMed

    Zulkifli, Farah Hanani; Jahir Hussain, Fathima Shahitha; Abdull Rasad, Mohammad Syaiful Bahari; Mohd Yusoff, Mashitah

    2015-02-01

    The aim of this research is to develop biocompatible nanofibrous mats using hydroxyethyl cellulose with improved cellular adhesion profiles and stability and use these fibrous mats as potential scaffold for skin tissue engineering. Glutaraldehyde was used to treat the scaffolds water insoluble as well as improve their biostability for possible use in biomedical applications. Electrospinning of hydroxyethyl cellulose (5 wt%) with poly(vinyl alcohol) (15 wt%) incorporated with and without collagen was blended at (1:1:1) and (1:1) ratios, respectively, and was evaluated for optimal criteria as tissue engineering scaffolds. The nanofibrous mats were crosslinked and characterized by scanning electron microscope, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Scanning electron microscope images showed that the mean diameters of blend nanofibers were gradually increased after chemically crosslinking with glutaraldehyde. Fourier transform infrared spectroscopy was carried out to understand chemical interactions in the presence of aldehyde groups. Thermal characterization results showed that the stability of hydroxyethyl cellulose/poly(vinyl alcohol) and hydroxyethyl cellulose/poly(vinyl alcohol)/collagen nanofibers was increased with glutaraldehyde treatment. Studies on cell-scaffolds interaction were carried out by culturing human fibroblast (hFOB) cells on the nanofibers by assessing the growth, proliferation, and morphologies of cells. The scanning electron microscope results show that better cell proliferation and attachment appeared on hydroxyethyl cellulose/poly(vinyl alcohol)/collagen substrates after 7 days of culturing, thus, promoting the potential of electrospun scaffolds as a promising candidate for tissue engineering applications.

  8. Thermal and Chemical Stability of Baseline and Improved Crystalline Silicotitanate

    SciTech Connect

    Taylor, P.A.

    2002-01-23

    The Savannah River Site (SRS) has been evaluating technologies for removing radioactive cesium ({sup 137}Cs) from the supernate solutions stored in the high-level waste tanks at the site. Crystalline silicotitanate (CST) sorbent (IONSIV IE-911{reg_sign}, UOP LLC, Des Plaines, IL), which is very effective at removing cesium from high-salt solutions, was one of three technologies that were tested. Because of the extremely high inventory of {sup 137}Cs expected for the large columns of CST that would be used for treating the SRS supernate, any loss of flow or cooling to the columns could result in high temperatures from radiolytic heating. Also, even under normal operating conditions, the CST would be exposed to the supernates for up to a year before being removed. Small-scale batch and column tests conducted last year using samples of production batches of CST showed potential problems with CST clumping and loss of cesium capacity after extended contact with the simulant solutions. Similar tests-using samples of a baseline and improved granular CST and the CST powder used to make both granular samples-were performed this year to compare the performance of the improved CST. The column tests, which used recirculating supernate simulant, showed that the baseline CST generated more precipitates of sodium aluminosilicate than the improved CST. The precipitates were particularly evident in the tubing that carried the simulant solution to and from the column, but the baseline CST also showed higher concentrations of aluminum on the CST than were observed for the improved CST. Recirculating the simulant through just a section of the tubing (no contact with CST) also produced small amounts of precipitate, similar to the amounts seen for the improved CST column. The sodium aluminosilicate formed bridges between the CST granules, causing clumps of CST to form in the column. Clumps were visible in the baseline CST column after 1 month of operation and in the improved CST column

  9. 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.

  10. 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…

  11. Simulating Quantum Chemical Dynamics with Improved Superconducting Qubits

    NASA Astrophysics Data System (ADS)

    Megrant, Anthony E.

    A quantum computer will potentially solve far-reaching problems which are currently intractable on any classical computer. Many technological obstacles have prevented the realization of a quantum computer, the main obstacle being decoherence, which is the loss of quantum information. Decoherence arises from the undesired interaction between qubits and their environment. Isolated qubits have better coherence but are more difficult to control. Superconducting qubits are a promising platform since their macroscopic size allows for easy control and coupling to other qubits. While the coherence of superconducting qubits has substantially improved over the past two decades, further improvements in coherence are required. We have repeatedly and reliably increased the coherence times of superconducting qubits. Currently decoherence in these devices is dominated by coupling to material defects. These defects are present in the dielectrics used to fabricate these devices or introduced during fabrication. Using simpler resonators as a testbed, we individually isolate, characterize, and then improve each step of the more complicated fabrication of superconducting qubits. We increased the quality factor of resonators by a factor of four by first identifying the surfaces and interfaces as a major source of loss and then by optimizing the substrate preparation. Furthermore, we measure and subsequently mitigate additional defect loss, which is dependent on the position of ground plane holes used to limit the loss from magnetic vortices. Implementing these improvements led to an increase of our qubit coherence times by more than an order of magnitude. The progress made in coherence while maintaining a high degree of connectivity and controllability has been directly used in more complex circuits. One such device is a fully connected three qubit ring with both tunable qubit frequencies and adjustable qubit-qubit couplings. The considerable level of control allows us to generate the

  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. 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.

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

    SciTech Connect

    Wescott, E.M.

    1994-04-01

    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.

  15. 78 FR 69433 - Executive Order 13650 Improving Chemical Facility Safety and Security Listening Sessions

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-19

    ... SECURITY Executive Order 13650 Improving Chemical Facility Safety and Security Listening Sessions AGENCY: National Protection and Programs Directorate, DHS. ACTION: Notice of public listening sessions. SUMMARY... Environmental Protection Agency (EPA), is announcing a series of public listening sessions and webinars...

  16. 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...

  17. Recognizing chemicals in patents: a comparative analysis.

    PubMed

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

    2016-01-01

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

  18. Quantifying chemical reactions by using mixing analysis.

    PubMed

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

    2015-01-01

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

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. Instrument performs nondestructive chemical analysis, data can be telemetered

    NASA Technical Reports Server (NTRS)

    Turkevich, A.

    1965-01-01

    Instrument automatically performs a nondestructive chemical analysis of surfaces and transmits the data in the form of electronic signals. It employs solid-state nuclear particle detectors with a charged nuclear particle source and an electronic pulse-height analyzer.

  4. Process Improvements to Biomass Pretreatment of Fuels and Chemicals

    SciTech Connect

    Teymouri, Farzaneh

    2015-05-30

    MBI, a 501c(3) company focusing on de-risking and scaling up bio-based technologies, has teamed with Michigan State University and the Idaho National Laboratory to develop and demonstrate process improvements to the ammonia fiber expansion (AFEX) pretreatment process. The logistical hurdles of biomass handling are well known, and the regional depot concept - in which small, distributed bioprocessing operations collect, preprocess, and densify biomass before shipping to a centralized refinery - is a promising alternative to centralized collection. AFEXTM (AFEX is a trademark of MBI) has unique features among pretreatments that would make it desirable as a pretreatment prior to densification at the depot scale. MBI has developed a novel design, using a packed bed reactor for the AFEX process that can be scaled down economically to the depot scale at a lower capital cost as compared to the traditional design (Pandia type reactor). Thus, the purpose of this project was to develop, scale-up, demonstrate, and improve this novel design The key challenges are the recovery of ammonia, consistent and complete pretreatment performance, and the overall throughput of the reactor. In this project an engineering scale packed bed AFEX system with 1-ton per day capacity was installed at MBI’s building. The system has been operational since mid-2013. During that time, MBI has demonstrated the robustness, reliability, and consistency of the process. To date, nearly 500 runs have been performed in the reactors. There have been no incidences of plugging (i.e., inability to remove ammonia from biomass after the treatment), nor has there been any instance of a major ammonia release into the atmosphere. Likewise, the sugar released via enzyme hydrolysis has remained consistent throughout these runs. Our economic model shows a 46% reduction in AFEX capital cost at the 100 ton/day scale compared to the traditional design of AFEX (Pandia type reactor). The key performance factors were

  5. Exergy analysis of a chemical metallurgical process

    NASA Astrophysics Data System (ADS)

    Morris, D. R.; Steward, F. R.

    1984-12-01

    The concept of available work or exergy is used to develop an expression from which the causes of exergy losses in a chemical reactor are identified. The concept is illustrated by application to a lead blast furnace. The performance of the sinter plant and the lead smelter are assessed by the same procedures. The possibilities of exergy recovery are discussed and a heat pump installation is described. The advantages of the exergy method of process assessment relative to the traditional heat balance are discussed.

  6. 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.

  7. 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.

  8. 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...

  9. 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,…

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

    USGS Publications Warehouse

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

    2016-12-22

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

  11. 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.

  12. 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.

  13. 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.

  14. Diamond-coated fiber Bragg grating through the hot filament chemical vapor process for chemical durability improvement.

    PubMed

    Alberto, Nélia; José Kalinowski, Hypolito; Neto, Victor; Nogueira, Rogério

    2017-02-20

    In recent years, the coating of fiber Bragg gratings (FBGs) with a specific material has opened up the possibility to broaden the limits of applicability of this technology. Diamond has a set of properties that makes it an attractive candidate to protect the optical fiber against chemically harsh environments, whose sensing is also a great challenge. One of the most used techniques to obtain these coatings is through the hot filament chemical vapor deposition (HFCVD); in this process, the temperature reaches, typically, around 850°C-900°C. In this work, the regeneration of a seed FBG during its coating with a nanocrystalline diamond thin film through the HFCVD process is presented. Simultaneously, the thermal monitoring of the process was also performed using the same grating. The resistance test in a corrosive medium reveals an improvement on the durability of the sensing properties of the diamond-coated FBG compared with an uncoated FBG, foreseeing a vast range of applications.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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…

  5. 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.

  6. Computational singular perturbation analysis of stochastic chemical systems with stiffness

    NASA Astrophysics Data System (ADS)

    Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; Najm, Habib N.

    2017-04-01

    Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.

  7. 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.

  8. 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

  9. Improving information retrieval in functional analysis.

    PubMed

    Rodriguez, Juan C; González, Germán A; Fresno, Cristóbal; Llera, Andrea S; Fernández, Elmer A

    2016-12-01

    Transcriptome analysis is essential to understand the mechanisms regulating key biological processes and functions. The first step usually consists of identifying candidate genes; to find out which pathways are affected by those genes, however, functional analysis (FA) is mandatory. The most frequently used strategies for this purpose are Gene Set and Singular Enrichment Analysis (GSEA and SEA) over Gene Ontology. Several statistical methods have been developed and compared in terms of computational efficiency and/or statistical appropriateness. However, whether their results are similar or complementary, the sensitivity to parameter settings, or possible bias in the analyzed terms has not been addressed so far. Here, two GSEA and four SEA methods and their parameter combinations were evaluated in six datasets by comparing two breast cancer subtypes with well-known differences in genetic background and patient outcomes. We show that GSEA and SEA lead to different results depending on the chosen statistic, model and/or parameters. Both approaches provide complementary results from a biological perspective. Hence, an Integrative Functional Analysis (IFA) tool is proposed to improve information retrieval in FA. It provides a common gene expression analytic framework that grants a comprehensive and coherent analysis. Only a minimal user parameter setting is required, since the best SEA/GSEA alternatives are integrated. IFA utility was demonstrated by evaluating four prostate cancer and the TCGA breast cancer microarray datasets, which showed its biological generalization capabilities.

  10. Application of a microcoil probe head in NMR analysis of chemicals related to the chemical weapons convention.

    PubMed

    Koskela, Harri; Vanninen, Paula

    2008-07-15

    A 1.7-mm microcoil probe head was tested in the analysis of organophosphorus compounds related to the Chemical Weapons Convention. The microcoil probe head demonstrated a high mass sensitivity in the detection of traces of organophosphorus compounds in samples. Methylphosphonic acid, the common secondary degradation product of sarin, soman, and VX, was detected at level 50 ng (0.52 nmol) from a 30-microL water sample using proton-observed experiments. Direct phosphorus observation of methylphosphonic acid with (31)P{(1)H} NMR experiment was feasible at the 400-ng (4.17 nmol) level. Application of the microcoil probe head in the spiked sample analysis was studied with a test water sample containing 2-10 microg/mL of three organophosphorus compounds. High-quality (1)H NMR, (31)P{(1)H} NMR, 2D (1)H-(31)P fast-HMQC, and 2D TOCSY spectra were obtained in 3 h from the concentrated 1.7-mm NMR sample prepared from 1 mL of the water solution. Furthermore, a 2D (1)H-(13)C fast-HMQC spectrum with sufficient quality was possible to measure in 5 h. The microcoil probe head demonstrated a considerable sensitivity improvement and reduction of measurement times for the NMR spectroscopy in identification of chemicals related to the Chemical Weapons Convention.

  11. 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

    ... shall develop an analysis, including recommendations, on the potential to improve information collection.... This analysis should consider ongoing data-sharing efforts, other federally collected information, and... improve the safe and secure storage, handling, and sale of ammonium nitrate and identify ways in...

  12. 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.

  13. Rethinking the History of Artists' Pigments Through Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Berrie, Barbara H.

    2012-07-01

    Following a brief overview of the history of analysis of artists' pigments, I discuss the illustrative example of lead-tin yellow. Recent advances in our knowledge of artists' use of red lakes, glassy pigments, and metallic pigments in works of cultural heritage, particularly European paintings, as determined from chemical analyses are described.

  14. 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.

  15. Technologies and microstructures for separation techniques in chemical analysis

    NASA Astrophysics Data System (ADS)

    Spiering, Vincent L.; Lammerink, Theo S. J.; Jansen, Henri V.; Fluitman, Jan H.; van den Berg, Albert

    1996-09-01

    The possibilities for microtechnology in chemical analysis and separation techniques are discussed. The combination of the materials and the dimensions of structures can limit the sample and waste volumes on the one hand, but also increases the performance of the chemical systems. Especially in high performance chromatography separation systems, where the separation quality is directly depending on the length to width ratio of the fluid channels, there is a large potential for applications. Novel technologies as well as demonstrator devices for different applications will be presented in this paper. Finally, a modular concept for microfluidic systems, in which these micromachined structures can be incorporated, is described and illustrated with a demonstrator.

  16. 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.

  17. Near-field Optical Imagigng and Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Andres, La Rosa

    1998-03-01

    Identification of molecular structures in complex mixtures represents a major challenge in chemical research today. Microfabricated devices or lab-on-a-chip that perform chemical analysis allows dynamic sampling of picoliter microenvironments and separation. The long-term goals of nanochemistry down to the femtoliter scale involve refinement of the detection limit to single-molecule. Our approach consists in designing a very sensitive near-field optical microscope (NSOM-SIAM) to explore the mesoscopic properties of organic compounds. The validity, sensitivity and unique spatial resolution of this system will be discussed for multiple analyte chemosensing.

  18. Lessons learned from non-medical industries: root cause analysis as culture change at a chemical plant

    PubMed Central

    Carroll, J; Rudolph, J; Hatakenaka, S

    2002-01-01

    

 Root cause analysis was introduced to a chemical plant as a way of enhancing performance and safety, exemplified by the investigation of an explosion. The cultural legacy of the root cause learning intervention was embodied in managers' increased openness to new ideas, individuals' questioning attitude and disciplined thinking, and a root cause analysis process that provided continual opportunities to learn and improve. Lessons for health care are discussed, taking account of differences between the chemical and healthcare industries. PMID:12486993

  19. 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

  20. 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

    2014-08-29

    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.

  1. Toward Improved Hyperspectral Analysis in Semiarid Systems

    NASA Astrophysics Data System (ADS)

    Glenn, N. F.; Mitchell, J.

    2012-12-01

    Idaho State University's Boise Center Aerospace Laboratory (BCAL) has processed and applied hyperspectral data for a variety of biophysical sciences in semiarid systems over the past 10 years. HyMap hyperspectral data have been used in most of these studies, along with AVIRIS, CASI, and PIKA-II data. Our studies began with the detection of individual weed species, such as leafy spurge, corroborated with extensive field analysis, including spectrometer data. Early contributions to the field of hyperspectral analysis included the use of: time-series datasets and classification threshold methods for target detection, and subpixel analysis for characterizing weed invasions and post-fire vegetation and soil conditions. Subsequent studies optimized subpixel unmixing performance using spectral subsetting and vegetation abundance investigations. More recent studies have extended the application of hyperspectral data from individual plant species detection to identification of biochemical constituents. We demonstrated field and airborne hyperspectral Nitrogen absorption in sagebrush using combinations of data reduction and spectral transformation techniques (i.e., continuum removal, derivative analysis, partial least squares regression). In spite of these and many other successful demonstrations, gaps still exist in effective species level discrimination due to the high complexity of soil and nonlinear mixing in semiarid shrubland. BCAL studies are currently focusing on complimenting narrowband vegetation indices with LiDAR (light detection and ranging, both airborne and ground-based) derivatives to improve vegetation cover predictions. Future combinations of LiDAR and hyperspectral data will involve exploring the full range spectral information and serve as an integral step in scaling shrub biomass estimates from plot to landscape and regional scales.

  2. 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.

  3. Improved information analysis - views and actions

    SciTech Connect

    Sheely, K.B.; Manatt, D.R.

    1995-07-01

    The IAEA continues to assess, develop, and test recommendations for strengthening the cost effectiveness of safeguards. The IAEA`s investigation has focused on ways to increase Agency access to data, including access to sites and site data, export/import data, environmental data, open-source data, and other expanded data sources. Although the acquisition of this raw data is essential to strengthening safeguards, the effectiveness of the system is going to be judged by what the Agency does with the data once they have acquired it. Therefore, the IAEA must have the capability to organize, analyze and present the data in a timely manner for internal management evaluation and external dissemination. The United States Department of Energy has established a Safeguards Information Management Systems (SIMS) Initiative to provide support and equipment which will improve the IAEA`s capability to utilize this expanded data to analyze State`s nuclear activities. This paper will present views on steps to improve information analysis and discuss the status of actions undertaken by the SIMS initiative.

  4. 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.

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

    DOEpatents

    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.

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

    SciTech Connect

    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.

  7. 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

  8. 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

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    Bashkirtseva, Irina

    2015-11-01

    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.

  11. 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

  12. A combination of site-directed mutagenesis and chemical modification to improve diastereopreference of Pseudomonas alcaligenes lipase.

    PubMed

    Chen, Hui; Wu, Jianping; Yang, Lirong; Xu, Gang

    2013-12-01

    A combination of site-directed mutagenesis and chemical modification was employed to alter protein structure with the objective of improving diastereopreference over that achieved by simple site-directed mutagenesis. Conformational analysis using molecular dynamic (MD) simulation of Pseudomonas alcaligenes lipase (PAL) indicated that stronger steric exclusion and structural rigidity facilitated diastereopreference. A cysteine (Cys) residue was introduced using site-directed mutagenesis to construct variant A272C. The modifier 5,5'-dithiobis-(2-nitrobenzoic acid) (DTNB) was then reacted with the introduced Cys residue to provide stronger steric exclusion and structural rigidity. The modification was verified by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. Diastereopreference was improved significantly. The diastereomeric excess (dep) of l-menthol increased from 35% with wild type PAL to 90% with A272C-DTNB modified PAL when the conversion ratio of l-menthyl propionate was nearly 100%. Conformation and kinetic parameter analysis showed that A272C-DTNB modified PAL exhibited stronger steric exclusion and increased structural rigidity around the modification site that inhibited the hydrolysis of non-targeted substrates. The combination of site-directed mutagenesis and chemical modification could be an effective method to alter protein properties and enhance diastereopreference through the combined effect of steric exclusion and structural rigidity.

  13. 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.

  14. Computational singular perturbation analysis of stochastic chemical systems with stiffness

    DOE PAGES

    Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; ...

    2017-01-25

    Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to notmore » only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. Furthermore, the algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.« less

  15. 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

  16. Chemical Abundance Analysis of Moving Group W11450 (Latham 1)

    NASA Astrophysics Data System (ADS)

    O'Connell, Julia E.; Martens, Kylee; Frinchaboy, Peter M.

    2016-12-01

    We present elemental abundances for all seven stars in Moving Group W11450 (Latham 1) to determine if they may be chemically related. These stars appear to be both spatially and kinematically related, but no spectroscopic abundance analysis exists in literature. Abundances for eight elements were derived via equivalent width analyses of high-resolution (R ˜ 60,000), high-signal-to-noise ratio (< {{S}}/{{N}}> ˜ 100) spectra obtained with the Otto Struve 2.1 m telescope and the Sandiford Echelle Spectrograph at McDonald Observatory. The large star-to-star scatter in metallicity, -0.55 ≤ [Fe/H] ≤slant 0.06 dex (σ = 0.25), implies these stars were not produced from the same chemically homogeneous molecular cloud, and are therefore not part of a remnant or open cluster as previously proposed. Prior to this analysis, it was suggested that two stars in the group, W11449 and W11450, are possible wide binaries. The candidate wide binary pair show similar chemical abundance patterns with not only iron but with other elements analyzed in this study, suggesting the proposed connection between these two stars may be real.

  17. 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

  18. Improving the risk assessment of lipophilic persistent environmental chemicals in breast milk

    PubMed Central

    Lehmann, Geniece M.; Verner, Marc-André; Luukinen, Bryan; Henning, Cara; Assimon, Sue Anne; LaKind, Judy S.; McLanahan, Eva D.; Phillips, Linda J.; Davis, Matthew H.; Powers, Christina M.; Hines, Erin P.; Haddad, Sami; Longnecker, Matthew P.; Poulsen, Michael T.; Farrer, David G.; Marchitti, Satori A.; Tan, Yu-Mei; Swartout, Jeffrey C.; Sagiv, Sharon K.; Welsh, Clement; Campbell, Jerry L.; Foster, Warren G.; Yang, Raymond S.H.; Fenton, Suzanne E.; Tornero-Velez, Rogelio; Francis, Bettina M.; Barnett, John B.; El-Masri, Hisham A.; Simmons, Jane Ellen

    2014-01-01

    Lipophilic persistent environmental chemicals (LPECs) have the potential to accumulate within a woman’s body lipids over the course of many years prior to pregnancy, to partition into human milk, and to transfer to infants upon breastfeeding. As a result of this accumulation and partitioning, a breastfeeding infant’s intake of these LPECs may be much greater than his/her mother’s average daily exposure. Because the developmental period sets the stage for lifelong health, it is important to be able to accurately assess chemical exposures in early life. In many cases, current human health risk assessment methods do not account for differences between maternal and infant exposures to LPECs or for lifestage-specific effects of exposure to these chemicals. Because of their persistence and accumulation in body lipids and partitioning into breast milk, LPECs present unique challenges for each component of the human health risk assessment process, including hazard identification, dose-response assessment, and exposure assessment. Specific biological modeling approaches are available to support both dose-response and exposure assessment for lactational exposures to LPECs. Yet, lack of data limits the application of these approaches. The goal of this review is to outline the available approaches and to identify key issues that, if addressed, could improve efforts to apply these approaches to risk assessment of lactational exposure to these chemicals. PMID:25068490

  19. Improving dry carbon nanotube actuators by chemical modifications, material hybridization, and proper engineering

    NASA Astrophysics Data System (ADS)

    Biso, Maurizio; Ansaldo, Alberto; Ricci, Davide

    2013-04-01

    Low voltage, dry electrochemical actuators can be prepared by using a gel made of carbon nanotubes and ionic liquid.1 Their performance can be significantly improved by combining physical and chemical modifications with a proper engineering. We demonstrated that multi walled carbon nanotubes can be effectively used for actuators preparation;2 we achieved interesting performance improvements by chemically cross linking carbon nanotubes using both aromatic and aliphatic diamines;3 we introduced a novel hybrid material, made by in-situ chemical polymerization of pyrrole on carbon nanotubes, that further boosts actuation by taking advantage of the peculiar properties of both materials in terms of maximum strain and conductivity;4 we investigated the influence of actuator thickness showing that the generated strain at high frequency is strongly enhanced when thickness is reduced. To overcome limitations set by bimorphs, we designed a novel actuator in which a metal spring, embedded in the solid electrolyte of a bimorph device, is used as a non-actuating counter plate resulting in a three electrode device capable of both linear and bending motion. Finally, we propose a way to model actuators performance in terms of purely material-dependent parameters instead of geometry-dependent ones.5

  20. Material Cycles and Chemicals: Dynamic Material Flow Analysis of Contaminants in Paper Recycling.

    PubMed

    Pivnenko, Kostyantyn; Laner, David; Astrup, Thomas F

    2016-11-15

    This study provides a systematic approach for assessment of contaminants in materials for recycling. Paper recycling is used as an illustrative example. Three selected chemicals, bisphenol A (BPA), diethylhexyl phthalate (DEHP) and mineral oil hydrocarbons (MOHs), are evaluated within the paper cycle. The approach combines static material flow analysis (MFA) with dynamic material and substance flow modeling. The results indicate that phasing out of chemicals is the most effective measure for reducing chemical contamination. However, this scenario was also associated with a considerable lag phase (between approximately one and three decades) before the presence of chemicals in paper products could be considered insignificant. While improved decontamination may appear to be an effective way of minimizing chemicals in products, this may also result in lower production yields. Optimized waste material source-segregation and collection was the least effective strategy for reducing chemical contamination, if the overall recycling rates should be maintained at the current level (approximately 70% for Europe). The study provides a consistent approach for evaluating contaminant levels in material cycles. The results clearly indicate that mass-based recycling targets are not sufficient to ensure high quality material recycling.

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

    PubMed

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

    2017-04-03

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

  2. Text mining effectively scores and ranks the literature for improving chemical-gene-disease curation at the comparative toxicogenomics database.

    PubMed

    Davis, Allan Peter; Wiegers, Thomas C; Johnson, Robin J; Lay, Jean M; Lennon-Hopkins, Kelley; Saraceni-Richards, Cynthia; Sciaky, Daniela; Murphy, Cynthia Grondin; Mattingly, Carolyn J

    2013-01-01

    The Comparative Toxicogenomics Database (CTD; http://ctdbase.org/) is a public resource that curates interactions between environmental chemicals and gene products, and their relationships to diseases, as a means of understanding the effects of environmental chemicals on human health. CTD provides a triad of core information in the form of chemical-gene, chemical-disease, and gene-disease interactions that are manually curated from scientific articles. To increase the efficiency, productivity, and data coverage of manual curation, we have leveraged text mining to help rank and prioritize the triaged literature. Here, we describe our text-mining process that computes and assigns each article a document relevancy score (DRS), wherein a high DRS suggests that an article is more likely to be relevant for curation at CTD. We evaluated our process by first text mining a corpus of 14,904 articles triaged for seven heavy metals (cadmium, cobalt, copper, lead, manganese, mercury, and nickel). Based upon initial analysis, a representative subset corpus of 3,583 articles was then selected from the 14,094 articles and sent to five CTD biocurators for review. The resulting curation of these 3,583 articles was analyzed for a variety of parameters, including article relevancy, novel data content, interaction yield rate, mean average precision, and biological and toxicological interpretability. We show that for all measured parameters, the DRS is an effective indicator for scoring and improving the ranking of literature for the curation of chemical-gene-disease information at CTD. Here, we demonstrate how fully incorporating text mining-based DRS scoring into our curation pipeline enhances manual curation by prioritizing more relevant articles, thereby increasing data content, productivity, and efficiency.

  3. 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.

  4. Global metabolic rewiring for improved CO2 fixation and chemical production in cyanobacteria

    NASA Astrophysics Data System (ADS)

    Kanno, Masahiro; Carroll, Austin L.; Atsumi, Shota

    2017-03-01

    Cyanobacteria have attracted much attention as hosts to recycle CO2 into valuable chemicals. Although cyanobacteria have been engineered to produce various compounds, production efficiencies are too low for commercialization. Here we engineer the carbon metabolism of Synechococcus elongatus PCC 7942 to improve glucose utilization, enhance CO2 fixation and increase chemical production. We introduce modifications in glycolytic pathways and the Calvin Benson cycle to increase carbon flux and redirect it towards carbon fixation. The engineered strain efficiently uses both CO2 and glucose, and produces 12.6 g l-1 of 2,3-butanediol with a rate of 1.1 g l-1 d-1 under continuous light conditions. Removal of native regulation enables carbon fixation and 2,3-butanediol production in the absence of light. This represents a significant step towards industrial viability and an excellent example of carbon metabolism plasticity.

  5. 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.

  6. 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.

  7. Chemical chaperone TUDCA prevents apoptosis and improves survival during polymicrobial sepsis in mice

    PubMed Central

    Doerflinger, Marcel; Glab, Jason; Nedeva, Christina; Jose, Irvin; Lin, Ann; O’Reilly, Lorraine; Allison, Cody; Pellegrini, Marc; Hotchkiss, Richard S.; Puthalakath, Hamsa

    2016-01-01

    Sepsis-induced lymphopenia is a major cause of morbidities in intensive care units and in populations with chronic conditions such as renal failure, diabetes, HIV and alcohol abuse. Currently, other than supportive care and antibiotics, there are no treatments for this condition. We developed an in vitro assay to understand the role of the ER-stress-mediated apoptosis process in lymphocyte death during polymicrobial sepsis, which was reproducible in in vivo mouse models. Modulating ER stress using chemical chaperones significantly reduced the induction of the pro-apoptotic protein Bim both in vitro and in mice. Furthermore, in a ‘two-hit’ pneumonia model in mice, we have been able to demonstrate that administration of the chemical chaperone TUDCA helped to maintain lymphocyte homeostasis by significantly reducing lymphocyte apoptosis and this correlated with four-fold improvement in survival. Our results demonstrate a novel therapeutic opportunity for treating sepsis-induced lymphopenia in humans. PMID:27694827

  8. 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...

  9. Tooth Matrix Analysis for Biomonitoring of Organic Chemical Exposure: Current Status, Challenges, and Opportunities

    PubMed Central

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

    2015-01-01

    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 to

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

    PubMed

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

    2012-10-07

    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 (T(600)) 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.

  12. 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

  13. 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.

  14. 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.

  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 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)

  17. 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.

  18. Chemical Analysis of NOx Removal Under Different Reduced Electric Fields

    NASA Astrophysics Data System (ADS)

    Haddouche, A.; Lemerini, M.

    2015-07-01

    This work presents a chemical kinetic analysis of different species involved in nitrogen-oxygen mixed gas induced by stationary corona discharge at room temperature and atmospheric pressure. This study takes into account twenty different chemical species participating in one hundred and seventy selected chemical reactions. The reaction rate coefficients are taken from the literature, and the density is analyzed by the continuity equation without the diffusion term. A large number of investigations considered the removal of NOx showing the effects of N, O and O3 radicals. The aim of the present simulation is to complete these studies by analysing various plasma species under different reduced electric fields in the range of 100-200 Td (1 Td=10-21 V·m2). In particular, we analyze the time evolution of depopulation (10-9-10-3 s) of NOx. We have found that the depopulation rate of NO and NO2 is substantially affected by the rise of reduced electric field as it grows from 100 Td to 200 Td. This allows us to ascertain the important role played by the reduced electric field.

  19. 40 CFR 761.314 - Chemical analysis of standard wipe test samples.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Chemical analysis of standard wipe test samples. 761.314 Section 761.314 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....314 Chemical analysis of standard wipe test samples. Perform the chemical analysis of standard...

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

    PubMed

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

    1982-01-01

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

  1. 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.

  2. 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.

  3. 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.

  4. Chemical Chaperones Improve Protein Secretion and Rescue Mutant Factor VIII in Mice with Hemophilia A

    PubMed Central

    Milanov, Peter; Abriss, Daniela; Ungerer, Christopher; Quade-Lyssy, Patricia; Simpson, Jeremy C.; Pepperkok, Rainer; Seifried, Erhard; Tonn, Torsten

    2012-01-01

    Inefficient intracellular protein trafficking is a critical issue in the pathogenesis of a variety of diseases and in recombinant protein production. Here we investigated the trafficking of factor VIII (FVIII), which is affected in the coagulation disorder hemophilia A. We hypothesized that chemical chaperones may be useful to enhance folding and processing of FVIII in recombinant protein production, and as a therapeutic approach in patients with impaired FVIII secretion. A tagged B-domain-deleted version of human FVIII was expressed in cultured Chinese Hamster Ovary cells to mimic the industrial production of this important protein. Of several chemical chaperones tested, the addition of betaine resulted in increased secretion of FVIII, by increasing solubility of intracellular FVIII aggregates and improving transport from endoplasmic reticulum to Golgi. Similar results were obtained in experiments monitoring recombinant full-length FVIII. Oral betaine administration also increased FVIII and factor IX (FIX) plasma levels in FVIII or FIX knockout mice following gene transfer. Moreover, in vitro and in vivo applications of betaine were also able to rescue a trafficking-defective FVIII mutant (FVIIIQ305P). We conclude that chemical chaperones such as betaine might represent a useful treatment concept for hemophilia and other diseases caused by deficient intracellular protein trafficking. PMID:22973456

  5. Quantitative chemical analysis of ocular melanosomes in the TEM.

    PubMed

    Eibl, O; Schultheiss, S; Blitgen-Heinecke, P; Schraermeyer, U

    2006-01-01

    Melanosomes in retinal tissues of a human, monkey and rat were analyzed by EDX in the TEM. Samples were prepared by ultramicrotomy at different thicknesses. The material was mounted on Al grids and samples were analyzed in a Zeiss 912 TEM equipped with an Omega filter and EDX detector with ultrathin window. Melanosomes consist of C and O as main components, mole fractions are about 90 and 3-10 at.%, respectively, and small mole fraction ratios, between 2 and 0.1 at.%, of Na, Mg, K, Si, P, S, Cl, Ca. All elements were measured quantitatively by standardless EDX with high precision. Mole fractions of transition metals Fe, Cu and Zn were also measured. For Fe a mole fraction ratio of less than 0.1at.% was found and gives the melanin its paramagnetic properties. Its mole fraction is however close to or below the minimum detectable mass fraction of the used equipment. Only in the human eye and only in the retinal pigment epitelium (rpe) the mole fractions of Zn (0.1 at.% or 5000 microg/g) and Cu were clearly beyond the minimum detectable mass fraction. In the rat and monkey eye the mole fraction of Zn was at or below the minimum detectable mass fraction and could not be measured quantitatively. The obtained results yielded the chemical composition of the melanosomes in the choroidal tissue and the retinal pigment epitelium (rpe) of the three different species. The results of the chemical analysis are discussed by mole fraction correlation diagrams. Similarities and differences between the different species are outlined. Correlation behavior was found to hold over species, e.g. the Ca-O correlation. It indicates that Ca is bound to oxygen rich sites in the melanin. These are the first quantitative analyses of melanosomes by EDX reported so far. The quantitative chemical analysis should open a deeper understanding of the metabolic processes in the eye that are of central importance for the understanding of a large number of eye-related diseases. The chemical analysis also

  6. Microbiological and Chemical Analysis of Land Snails Commercialised in Sicily

    PubMed Central

    Cicero, Antonello; Giangrosso, Giuseppe; Cammilleri, Gaetano; Macaluso, Andrea; Currò, Vittoria; Galuppo, Lucia; Vargetto, Daniela; Vicari, Domenico

    2015-01-01

    In this study 160 samples of snails belonging to the species Helix aspersa maxima and Helix aspersa muller were examined for chemical and microbiological analysis. Samples came from Greece and Poland. Results showed mean concentration of cadmium (0.35±0.036 mg/kg) and lead (0.05±0.013 mg/kg) much higher than the limit of detection. Mercury levels in both species were not detected. Microbiological analysis revealed the absence of Salmonella spp. and Clostridium spp. in both examined species. E. coli and K. oxytoca were observed in Helix aspersa maxima and Helix aspersa muller. Furthermore, one case of fungi positivity in samples of Helix aspersa muller was found. The reported investigations highlight the need to create and adopt a reference legislation to protect the health of consumers. PMID:27800385

  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. Information-Theoretical Complexity Analysis of Selected Elementary Chemical Reactions

    NASA Astrophysics Data System (ADS)

    Molina-Espíritu, M.; Esquivel, R. O.; Dehesa, J. S.

    We investigate the complexity of selected elementary chemical reactions (namely, the hydrogenic-abstraction reaction and the identity SN2 exchange reaction) by means of the following single and composite information-theoretic measures: disequilibrium (D), exponential entropy(L), Fisher information (I), power entropy (J), I-D, D-L and I-J planes and Fisher-Shannon (FS) and Lopez-Mancini-Calbet (LMC) shape complexities. These quantities, which are functionals of the one-particle density, are computed in both position (r) and momentum (p) spaces. The analysis revealed that the chemically significant regions of these reactions can be identified through most of the single information-theoretic measures and the two-component planes, not only the ones which are commonly revealed by the energy, such as the reactant/product (R/P) and the transition state (TS), but also those that are not present in the energy profile such as the bond cleavage energy region (BCER), the bond breaking/forming regions (B-B/F) and the charge transfer process (CT). The analysis of the complexities shows that the energy profile of the abstraction reaction bears the same information-theoretical features of the LMC and FS measures, however for the identity SN2 exchange reaction does not hold a simple behavior with respect to the LMC and FS measures. Most of the chemical features of interest (BCER, B-B/F and CT) are only revealed when particular information-theoretic aspects of localizability (L or J), uniformity (D) and disorder (I) are considered.

  9. Stochastic Analysis of Chemical Reaction Networks Using Linear Noise Approximation.

    PubMed

    Cardelli, Luca; Kwiatkowska, Marta; Laurenti, Luca

    2016-10-28

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

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

    PubMed

    Cardelli, Luca; Kwiatkowska, Marta; Laurenti, Luca

    2016-11-01

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

  11. 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.

  12. Polar/apolar chemical inducers of differentiation of transformed cells: strategies to improve therapeutic potential.

    PubMed Central

    Marks, P A; Breslow, R; Rifkind, R A; Ngo, L; Singh, R

    1989-01-01

    N,N'-Hexamethylenebisacetamide (HMBA) induces transformed cells to differentiate, accompanied by suppression of oncogenicity. Clinical trials have shown that HMBA can cause positive therapeutic responses in some cancer patients, but clinical efficacy may be limited, in part, by dose-related toxicity. Potential improvements in efficacy may be accomplished by changes in the chemical structure of inducing agents and by increasing the sensitivity of tumor cells to inducers of differentiation. We have previously described an approach to improving tumor cell responsiveness to inducing agents. Transformed cell lines that have acquired low levels of resistance to vincristine display a markedly increased sensitivity to HMBA. We now report on a series of hybrid polar/apolar compounds--some of which are as active as HMBA and several of which are significantly more active than HMBA in vitro--whose chemical structures make it likely that they have different pharmacokinetics. Vincristine-resistant murine erythroleukemia cells also are shown to have marked increased sensitivity to these hybrid polar/apolar compounds. Thus these findings suggest potentially useful strategies for the application of polar/apolar inducers of differentiation to the treatment of cancers. These studies also provide approaches to further understanding of the biological process of terminal differentiation. PMID:2762329

  13. 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.

  14. 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.

  15. 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.

  16. EPA Proposes Revisions to its Risk Management Program to Improve Chemical Process Safety and Further Protect Communities and First Responders

    EPA Pesticide Factsheets

    WASHINGTON - The U.S. Environmental Protection Agency (EPA) is proposing to revise its Risk Management Program (RMP) regulations to improve chemical process safety, assist local emergency authorities in planning for and responding to accidents, and

  17. Combination of Raman Spectroscopy and Mass Spectrometry for Online Chemical Analysis.

    PubMed

    Meher, Anil Kumar; Chen, Yu-Chie

    2016-09-20

    Mass spectrometry (MS) and Raman spectroscopy are complementary analytical techniques used to provide information related to chemical structures and functional groups of target analytes. Each instrument provides specific chemical information. If these two analytical tools are coupled online, comprehensive structural information can be simultaneously collected from the analytes of interest without losing any important chemical information. Nevertheless, exploring a suitable interface for coupling of these analytical tools, which are governed with different operation principles, remains challenging. In this study, we used a small piece of tissue paper as an interface for hyphenating a Raman spectroscope and a mass spectrometer online. The paper played multiroles as sample loading substrate and an emitter to generate electrospray. Furthermore, it can facilitate surface-enhanced Raman spectroscopic analysis to improve analyte signals in Raman spectra. A sample droplet was placed on the tissue paper located close to the laser of the Raman spectroscope and the inlet of mass spectrometer. Raman spectra were first collected by the Raman spectroscope through laser irradiation followed by generation of electrospray on the edge of the paper for MS analysis. Positional isomers were used as model samples to demonstrate the effectiveness of the hyphenated analytical tool in distinguishing isomers. The feasibility of using this Raman-MS hyphenated technique for monitoring chemical reactions online in real time was also investigated.

  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.

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

    PubMed

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

    2016-09-01

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

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

    PubMed

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

    2016-01-01

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

  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. Chemical Abundance Analysis of the Symbiotic Red Giants

    NASA Astrophysics Data System (ADS)

    Galan, Cezary; Mikolajewska, Joanna; Hinkle, Kenneth H.

    2015-01-01

    The study of symbiotic stars - the long period, interacting binary systems - composed of red giant donor and a hot, compact companion is important for our understanding of binary stellar evolution in systems where mass loss or transfer take place involving RGB/AGB stars. The elemental abundances of symbiotic giants can track the mass exchange history and can determine their parent stellar population. However, the number of these objects with fairly well determined photospheric composition is insufficient for statistical considerations. Here we present the detailed chemical abundance analysis obtained for the first time for 14 M-type symbiotic giants. The analysis is based on the high resolution (R ˜ 50000), high S/N ˜ 100, near-IR spectra (at H- and K-band regions) obtained with Phoenix/Gemini South spectrometer. Spectrum synthesis employing standard LTE analysis and atmosphere models was used to obtain photospheric abundances of CNO and elements around the iron peak (Sc, Ti, Fe, and Ni). Our analysis reveals mostly slightly sub-solar or near-solar metallicities. We obtained significantly subsolar metallicities for RW Hya, RT Ser, and Hen 3-1213 and slightly super-solar metallicity in V455 Sco. The very low ^{12}C/^{13}C isotopic ratios, ˜6-11, and significant enrichment in nitrogen ^{14}N isotope in almost all giants in our sample indicate that they have experienced the first dredge-up.

  3. 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.

  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. Improving subjective pattern recognition in chemical senses through reduction of nonlinear effects in evaluation of sparse data

    NASA Astrophysics Data System (ADS)

    Assadi, Amir H.; Rasouli, Firooz; Wrenn, Susan E.; Subbiah, M.

    2002-11-01

    Artificial neural network models are typically useful in pattern recognition and extraction of important features in large data sets. These models are implemented in a wide variety of contexts and with diverse type of input-output data. The underlying mathematics of supervised training of neural networks is ultimately tied to the ability to approximate the nonlinearities that are inherent in network"s generalization ability. The quality and availability of sufficient data points for training and validation play a key role in the generalization ability of the network. A potential domain of applications of neural networks is in analysis of subjective data, such as in consumer science, affective neuroscience and perception of chemical senses. In applications of ANN to subjective data, it is common to rely on knowledge of the science and context for data acquisition, for instance as a priori probabilities in the Bayesian framework. In this paper, we discuss the circumstances that create challenges for success of neural network models for subjective data analysis, such as sparseness of data and cost of acquisition of additional samples. In particular, in the case of affect and perception of chemical senses, we suggest that inherent ambiguity of subjective responses could be offset by a combination of human-machine expert. We propose a method of pre- and post-processing for blind analysis of data that that relies on heuristics from human performance in interpretation of data. In particular, we offer an information-theoretic smoothing (ITS) algorithm that optimizes that geometric visualization of multi-dimensional data and improves human interpretation of the input-output view of neural network implementations. The pre- and post-processing algorithms and ITS are unsupervised. Finally, we discuss the details of an example of blind data analysis from actual taste-smell subjective data, and demonstrate the usefulness of PCA in reduction of dimensionality, as well as ITS.

  6. 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

  7. 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

  8. 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.

  9. 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

  10. Remote Chemical Analysis at Enceladus: An Astrobiology Science Instrument Concept

    NASA Astrophysics Data System (ADS)

    Kirby, J. P.; Price, K.; Willis, P.; Jones, S.

    2013-12-01

    An instrument concept is being developed for the future exploration of Enceladus where remote chemical analysis would be performed onboard a spacecraft while in flight. The instrument will look for evidence for the presence of life in a subsurface ocean habitat by examining nascent ice grains collected by flying the spacecraft directly through the plume or jets of Enceladus. This astrobiology science instrument concept is compatible with an Enceladus sample return mission or a Saturn system orbiter mission. Described are 5 science tiers supported by the instrument system with a mass spectrometer at its core. Results for automation of sample pre-concentration and optical detection of free amino acids will also be presented and discussed as a pathway for assessing the inventory of organic molecules in a potentially inhabited ice covered Enceladus ocean. Concept for the Enceladus Amino Acid Sampler, an astrobiology science instrument system with 5 distinct science tiers for exploring the Enceladus subsurface composition.

  11. 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.

  12. 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.

  13. Computational analysis of RNA structures with chemical probing data

    PubMed Central

    Ge, Ping; Zhang, Shaojie

    2015-01-01

    RNAs play various roles, not only as the genetic codes to synthesize proteins, but also as the direct participants of biological functions determined by their underlying high-order structures. Although many computational methods have been proposed for analyzing RNA structures, their accuracy and efficiency are limited, especially when applied to the large RNAs and the genome-wide data sets. Recently, advances in parallel sequencing and high-throughput chemical probing technologies have prompted the development of numerous new algorithms, which can incorporate the auxiliary structural information obtained from those experiments. Their potential has been revealed by the secondary structure prediction of ribosomal RNAs and the genome-wide ncRNA function annotation. In this review, the existing probing-directed computational methods for RNA secondary and tertiary structure analysis are discussed. PMID:25687190

  14. Improved multiferroic properties in Sm-doped BiFeO3 thin films deposited using chemical solution deposition method

    NASA Astrophysics Data System (ADS)

    Singh, S. K.; Tomy, C. V.; Era, T.; Itoh, M.; Ishiwara, H.

    2012-05-01

    Sm-substituted (0% to 10%) BiFeO3 thin films were fabricated by chemical solution deposition on Pt/Ti/SiO2/Si substrates. X-ray diffraction analysis revealed that no secondary phase appeared even if Bi atoms were substituted with Sm atoms up to 10 at. %. 7.5 at. % Sm-substituted films show improved electrical properties and substitution was effective in improving the coercive field in the films. Sm-substitution shows improved ferroelectric as well as magnetic properties of the films. There is a noticeable reduction in the leakage current density (10-4 A/cm2) and increase in the polarization (70 μC/cm2) when the Sm concentration is kept around 7.5%. The magnetic moment obtained from the saturated magnetization curves shows a value of 0.3 μB/Fe compared to 0.04 μB/Fe for the parent compound. The results are important since it increases the potential of the material as a multiferroic compound.

  15. 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

  16. 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.

  17. Diffusion consistent calibrations for improved chemical imaging using nanoparticle enhanced optical sensors.

    PubMed

    Hakonen, Aron; Strömberg, Niklas

    2012-01-21

    A basic square root function was successfully used as a diffusion consistent calibration function that considers depletion mechanisms often occurring within optical chemical sensors. This continuous function improved image quality and simplified the calibration process. It may be a universal tool for the typical response function of reversible diffusion controlled sensing reactions. Further, we demonstrate that the gold nanoparticle interaction based ammonium fluorosensor is suitable for non-invasive high-resolution quantitative imaging of complex samples. The plasmon sensitized optical sensors were utilized as a bioanalytical tool for chemical imaging of natural degradation processes occurring in biological tissues. Analytical performance of the nanoparticle enhanced sensors confirmed superior sensitivity, reversibility, durability and overall image quality over non-doped sensing membranes. Although applied in a complex matrix of high potassium (major interferent) and very high sodium (interferent) excellent performance is achieved. The nanoparticle interaction/coextraction based sensing scheme utilized in this study is general and can be used for numerous ions, preferably combined with the diffusion consistent calibrations for superior analytical performance. A table with 44 commercially available ionophores is provided to guide potential users of this sensor configuration.

  18. Comparison of seven chemical pretreatments of corn straw for improving methane yield by anaerobic digestion.

    PubMed

    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.

  19. Improved chemical stability of Ti-doped MgB2 in water

    NASA Astrophysics Data System (ADS)

    Zhao, Y.; Cheng, C. H.; Machi, T.; Koshizuka, N.; Murakami, M.

    2002-04-01

    We investigated the degradation of critical current density (Jc) and irreversibility field (Hirr) of pure and Ti-doped MgB2 bulks by exposing the samples to water for a total of 10, 48, 100, and 124 h. We found that both Jc and Hirr of the samples were degraded by exposure to water, in various degrees depending on the doping level. In the same exposure duration, the Ti-doped samples exhibited a less sensitivity to water, which was confirmed by the less degradation of Jc and Hirr. Our results demonstrate that Ti doping is not only effective in improving the superconducting properties of MgB2 but also in enhancing its chemical stability against water.

  20. 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.

  1. 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.

  2. 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.

  3. Long-term chemical and biological improvement in an acid mine drainage-impacted watershed.

    PubMed

    Underwood, Bruce E; Kruse, Natalie A; Bowman, Jennifer R

    2014-11-01

    Acid mine drainage (AMD) is a common result of coal and metal mining worldwide caused by weathering of metal sulfides exposed during mining. AMD typically results in low-pH, high-metal, high-conductivity water that does not support aquatic life. Chemical water quality improvement does not necessarily lead to rapid biological recovery. Little Raccoon Creek, a major tributary to Raccoon Creek in the Western Allegheny Plateau of Ohio, drains 401 km(2), has a legacy of AMD that stems from mining activities over more than a century. Since 1999, seven major passive treatments systems have been installed in the watershed to a total of over $6.5 million. This study analyzes the hourly water quality data collected at a United States Geological Survey gage station alongside trends in fish and macroinvertebrate communities. Both fish and macroinvertebrate communities have shown a statistically significant improvement in the lower reaches of Little Raccoon Creek since treatment began. Long-term chemical monitoring shows a significant increase in pH, but no significant change in conductivity. The conductivity data is well correlated with sulfate concentrations and discharge, while the pH is well correlated with net  alkalinity data, but not with discharge. Significant investment in passive treatment systems and land reclamation has decreased the percent occurrence of pH measurements below the target of 6.5 and has led to recovery of both fish and macroinvertebrate communities in the downstream reaches of Little Raccoon Creek. Long-term monitoring has proven to be a valuable tool to assess success of a high-cost remediation program.

  4. Use of hyaluronidase to improve chemical immobilization of free-ranging polar bears (Ursus maritimus).

    PubMed

    Cattet, Marc R L; Obbard, Martyn E

    2010-01-01

    We assessed the efficacy and safety of hyaluronidase to improve chemical immobilization of free-ranging polar bears (Ursus maritimus) captured from helicopter by remote drug delivery along the Ontario coast line of northwestern James Bay and southern Hudson Bay during September 2005 and October 2007. We used a single blind study design in which one person prepared and loaded all darts without the shooter knowing whether hyaluronidase (150 IU per dart) or sterile water was added to the immobilizing drug mixture of xylazine and zolazepam-tiletamine (XZT). We found that we often required more than one dart to immobilize bears in the control group (XZT+sterile water; >1 dart for 15 of 28 captures) versus the treatment group (XZT+hyaluronidase; >1 dart for seven of 26 captures). As a consequence, treatment bears were generally immobilized with smaller XZT dosages (7.9 vs. 9.4 mg/kg; P = 0.08) and shorter induction (10 vs. 15 min; P = 0.004) than control bears. We found no differences in vital rates and serum biochemistry results between control and treatment bears. We did find, however, that induction times correlated directly with rectal temperature at improve chemical immobilization.

  5. A new chemical approach to improving discharge capacity of Li/(CF x) n cells

    NASA Astrophysics Data System (ADS)

    Nagasubramanian, Ganesan; Sanchez, Bryan

    Although (CF x) n has the highest theoretical specific energy of all lithium primary batteries known, the practical specific energy (including packaging) is very small on the order of ∼10% for small capacity cells (<5 Ah) and between 20 and 30% for large capacity cells (>100 Ah). Even these can be achieved only at a very low discharge rate improving % delivered energy by: (1) incorporating engineering solution and (2) adopting a new chemical approach. The engineering solution effort will not be discussed here except to mention that light weight metal such as titanium (Ti) will be considered for hardware instead of stainless steel. The chemical approach involves adding an anion-binding-agent (ABA) to the electrolyte solution to dissolve the LiF generated in the discharge reaction. We studied three boron containing neutral ABAs and the most promising ABA {Tris(1,1,1,3,3,3-hexafluoroisopropyl)borate} will be discussed further. The delivered capacity/energy (per unit weight of the cathode) is higher for SNL-built coin cells containing the ABA additive than for the commercial coin cells by 80%. These cells were tested at a C/44 rate. This improvement especially at a high discharge rate is attributed to the ability of the ABA to dissolve the LiF from plugging the cathode pores and thus keep the bulk of the cathode accessible for further discharge reaction. We have also tested commercial cells and commercial electrodes in coin cells. In general, at high rate discharge, the performance of SNL cells containing our electrolyte and electrode were better than the rest.

  6. Decision theoretic analysis of improving epidemic detection.

    PubMed

    Izadi, Masoumeh T; Buckeridge, David L

    2007-10-11

    The potentially catastrophic impact of an epidemic specially these 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.

  7. 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

  8. The Use of Item Analysis for Improvement of Biochemical Teaching

    ERIC Educational Resources Information Center

    Nagata, Ryoichi

    2004-01-01

    Item analysis was used to find out which biochemical explanations need to be improved in biochemical teaching, not which items are to be discarded, improved, or reusable in biochemical examinations. The analysis revealed the basic facts of which less able students had more misunderstanding than able students. Identifying these basic facts helps…

  9. 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…

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

    SciTech Connect

    Klein, Adam

    2015-01-01

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

  11. Quantitative analysis of physical and chemical changes in CMP polyurethane pad surfaces

    SciTech Connect

    Lu, H.; Fookes, B.; Obeng, Y.; Machinski, S.; Richardson, K.A

    2002-08-15

    Polishing pads play a key role in chemical-mechanical polishing (CMP), which has been recognized as a critical step to improve the topography of wafers for semiconductor fabrication. In service, chemical and mechanical changes in a polishing pad are expected to have a significant impact on the pad's CMP performance. Scanning electron microscopy (SEM) showed changes in the pore geometry on the CMP pad surface after use. The average height of the roughness between the pores of the polishing pad was measured using white light interferometry (WLI). Attenuated total reflectance Fourier Transform Infrared (ATR/FTIR) method was found to provide a novel opportunity for the nondestructive surface analysis of pad materials. Results of an ATR/IR microscopy study that evaluated the extent of chemical degradation of pad materials both before and after polishing cycle are presented. The infrared results identified that the changes in chemical state of used pad materials, specifically for C = O and C--O--C infrared stretching bands, were a surface phenomenon.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

  14. 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...

  15. 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.

  16. Structural analysis of photosystem I polypeptides using chemical crosslinking.

    PubMed

    Armbrust, T S; Odom, W R; Guikema, J A

    1994-07-01

    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.

  17. Chemical analysis of uranium compounds. [For Fe, Ni, fluoride

    SciTech Connect

    Jarabek, R.J.

    1987-10-01

    Research and development studies relating to gaseous diffusion plants require expertise in the analysis of uranium and its compounds. Synthesis of these compounds along with subsequent use necessitates a means of identification in addition to X-ray diffraction patterns normally obtained. Analyses for fluoride, nickel, and iron have been developed to supplement the analysis for U/sup +4/ and U total previously developed. The fluoride is determined by pyrolysis, with subsequent acid-base titration. Nickel is analyzed by precipitation with dimethylglyoxime following complexation of the uranium with citric acid. Iron is analyzed iodometrically following an ammonium hydroxide-ammonium carbonate separation process from the uranium. High precision and accuracy can be obtained on these procedures using low-cost, wet chemical methods. Expensive computerized equipment is not needed. Uranium compounds analyzed include UF/sub 5/, UO/sub 2/F/sub 2/, U/sub 3/O/sub 8/, and U/sub 2/F/sub 9/.

  18. 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.

  19. Petroleomics: the next grand challenge for chemical analysis.

    PubMed

    Marshall, Alan G; Rodgers, Ryan P

    2004-01-01

    Ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry has recently revealed that petroleum crude oil contains heteroatom-containing (N,O,S) organic components having more than 20,000 distinct elemental compositions (C(c)H(h)N(n)O(o)S(s)). It is therefore now possible to contemplate the ultimate characterization of all of the chemical constituents of petroleum, along with their interactions and reactivity, a concept we denote as "petroleomics". Such knowledge has already proved capable of distinguishing petroleum and its distillates according to their geochemical origin and maturity, distillation cut, extraction method, catalytic processing, etc. The key features that have opened up this new field have been (a) ultrahigh-resolution FT-ICR mass analysis, specifically, the capability to resolve species differing in elemental composition by C(3) vs SH(4) (i.e., 0.0034 Da); (b) higher magnetic field to cover the whole mass range at once; (c) dynamic range extension by external mass filtering; and (d) plots of Kendrick mass defect vs nominal Kendrick mass as a means for sorting different compound "classes" (i.e., numbers of N, O, and S atoms), "types" (rings plus double bonds), and alkylation ((-CH(2))(n)) distributions, thereby extending to >900 Da the upper limit for unique assignment of elemental composition based on accurate mass measurement. The same methods are also being applied successfully to analysis of humic and fulvic acids, coals, and other complex natural mixtures, often without prior or on-line chromatographic separation.

  20. 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.

  1. Mechanisms of Local Planarization Improvement Using Solo Pad in Chemical Mechanical Polishing

    NASA Astrophysics Data System (ADS)

    Isobe, Akira; Yokoyama, Toshiyuki; Komiyama, Takashi; Kurokawa, Syuhei

    2013-12-01

    The mechanism of local planarization improvement using a solo pad in chemical mechanical polishing (CMP) was investigated, and the pad surface temperature was found to be the key factor. The use of a solo pad results in better planarity than that of a stacked pad under the same process conditions. When Cu CMP evaluation was conducted at various platen temperatures, a good correlation of local planarity to pad surface temperature was confirmed regardless of the pad type. Planarity improved when the pad surface temperature was lowered, and the solo pad had a lower temperature than the stacked pad at the same platen temperature. It is considered that the solo pad has a higher heat conductance than the stacked pad, so that heat generated during polishing is transferred to the platen more easily through the solo pad than through the stacked pad. The reason for the better planarity with the lower pad surface temperature was explained by the change in pad elasticity by the temperature.

  2. 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…

  3. 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.

  4. 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.

  5. 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.

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

    PubMed Central

    2012-01-01

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

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

    EPA Pesticide Factsheets

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

  8. Chemical supply chain modeling for analysis of homeland security events

    SciTech Connect

    Ehlen, Mark A.; Sun, Amy C.; Pepple, Mark A.; Eidson, Eric D.; Jones, Brian S.

    2013-09-06

    The potential impacts of man-made and natural disasters on chemical plants, complexes, and supply chains are of great importance to homeland security. To be able to estimate these impacts, we developed an agent-based chemical supply chain model that includes: chemical plants with enterprise operations such as purchasing, production scheduling, and inventories; merchant chemical markets, and multi-modal chemical shipments. Large-scale simulations of chemical-plant activities and supply chain interactions, running on desktop computers, are used to estimate the scope and duration of disruptive-event impacts, and overall system resilience, based on the extent to which individual chemical plants can adjust their internal operations (e.g., production mixes and levels) versus their external interactions (market sales and purchases, and transportation routes and modes). As a result, to illustrate how the model estimates the impacts of a hurricane disruption, a simple example model centered on 1,4-butanediol is presented.

  9. Improving causal inferences in risk analysis.

    PubMed

    Cox, Louis Anthony Tony

    2013-10-01

    Recent headlines and scientific articles projecting significant human health benefits from changes in exposures too often depend on unvalidated subjective expert judgments and modeling assumptions, especially about the causal interpretation of statistical associations. Some of these assessments are demonstrably biased toward false positives and inflated effects estimates. More objective, data-driven methods of causal analysis are available to risk analysts. These can help to reduce bias and increase the credibility and realism of health effects risk assessments and causal claims. For example, quasi-experimental designs and analysis allow alternative (noncausal) explanations for associations to be tested, and refuted if appropriate. Panel data studies examine empirical relations between changes in hypothesized causes and effects. Intervention and change-point analyses identify effects (e.g., significant changes in health effects time series) and estimate their sizes. Granger causality tests, conditional independence tests, and counterfactual causality models test whether a hypothesized cause helps to predict its presumed effects, and quantify exposure-specific contributions to response rates in differently exposed groups, even in the presence of confounders. Causal graph models let causal mechanistic hypotheses be tested and refined using biomarker data. These methods can potentially revolutionize the study of exposure-induced health effects, helping to overcome pervasive false-positive biases and move the health risk assessment scientific community toward more accurate assessments of the impacts of exposures and interventions on public health.

  10. Improvement of an integrated system of membrane bioreactor and worm reactor by phosphorus removal using additional post-chemical treatment.

    PubMed

    Liu, Jia; Zuo, Wei; Tian, Yu; Zhang, Jun; Li, Hui; Li, Lipin

    2016-11-01

    A membrane bioreactor (MBR) coupled with a worm reactor (SSBWR) was designed as SSBWR-MBR for sewage treatment and excess sludge reduction. However, total phosphorus (TP) release caused by worm predation in the SSBWR could increase the effluent TP concentration in the SSBWR-MBR. To decrease the amount of TP excreted, chemical treatment reactor was connected after the SSBWR-MBR to remove the excess phosphorus (P). The effects of chemical treatment at different time intervals on the performance of the SSBWR-MBR were assessed. The results showed that a maximum TP removal efficiency of 21.5 ± 1.0% was achieved in the SSBWR-MBR after chemical treatment. More importantly, a higher sulfate concentration induced by chemical treatment could promote TP release in the SSBWR, which provided further TP removal from the SSBWR-MBR. Additionally, chemical oxygen demand (COD) removal efficiency of the SSBWR-MBR was increased by 1.3% after effective chemical treatment. In the SSBWR-MBR, the chemical treatment had little effects on NH3-N removal and sludge production. Eventually, chemical treatment also alleviated the membrane fouling in the SSBWR-MBR. In this work, the improvement on TP, COD removal and membrane fouling alleviation was achieved in the SSBWR-MBR using additional chemical treatment.

  11. 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.

  12. Thermo-chemical modelling of a village cookstove for design improvement

    NASA Astrophysics Data System (ADS)

    Honkalaskar, Vijay H.; Sohoni, Milind; Bhandarkar, Upendra V.

    2014-05-01

    Cookstove operation comprises three basic processes, namely combustion of firewood, natural air draft due to the buoyancy induced by the temperature difference between the hearth and its surroundings, and heat transfer to the pot, stove body and surrounding atmosphere. Owing to the heterogenous and unsteady burning of solid fuel, there exist nonlinear and dynamic interrelationships among these process parameters. A steady-state analytical model of the cookstove operation is developed for its design improvement by splitting the hearth into three zones to study char combustion, volatile combustion and heat transfer to the pot bottom separately. It comprises a total of seven relations corresponding to a thorough analysis of the three basic processes. A novel method is proposed to model the combustion of wood to mimic the realities closely. Combustion space above the fuel bed is split into 1000 discrete parts to study the combustion of volatiles by considering a set of representative volatile gases. Model results are validated by comparing them with a set of water boiling tests carried on a traditional cookstove in the laboratory. It is found that the major thrust areas to improve the thermal performance are combustion of volatiles and the heat transfer to the pot. It is revealed that the existing design dimensions of the traditional cookstove are close to their optimal values. Addition of twisted-tape inserts in the hearth of the cookstove shows an improvement in the thermal performance due to increase in the heat transfer coefficient to the pot bottom and improved combustion of volatiles.

  13. Review of Specific Chemical Interactions for Hydrazine Analysis and Proposed Adaptation for Microsensor Chemical Detection

    DTIC Science & Technology

    1984-11-30

    basic hydrszine chemistry relevant to the analytical reactions presented in subsequent sections and to the coating requirements for chemical microsensors...Sections 2, 3, 4 and 5 discuss specific analytical hydrazine reactions which have been classified as alldehyde or ketone condensations, aromatfc...surface. It "is ideally designed to have a specific chemical receptivity to a "particular vapor whose interaction coincidentally produces a -I property

  14. Three-dimensional chemical mapping by EFTEM-TomoJ including improvement of SNR by PCA and ART reconstruction of volume by noise suppression.

    PubMed

    Messaoudi, Cédric; Aschman, Nicolas; Cunha, Marcel; Oikawa, Tetsuo; Sorzano, Carlos O Sanchez; Marco, Sergio

    2013-12-01

    Electron tomography is becoming one of the most used methods for structural analysis at nanometric scale in biological and materials sciences. Combined with chemical mapping, it provides qualitative and semiquantitative information on the distribution of chemical elements on a given sample. Due to the current difficulties in obtaining three-dimensional (3D) maps by energy-filtered transmission electron microscopy (EFTEM), the use of 3D chemical mapping has not been widely adopted by the electron microscopy community. The lack of specialized software further complicates the issue, especially in the case of data with a low signal-to-noise ratio (SNR). Moreover, data interpretation is rendered difficult by the absence of efficient segmentation tools. Thus, specialized software for the computation of 3D maps by EFTEM needs to include optimized methods for image series alignment, algorithms to improve SNR, different background subtraction models, and methods to facilitate map segmentation. Here we present a software package (EFTEM-TomoJ, which can be downloaded from http://u759.curie.fr/fr/download/softwares/EFTEM-TomoJ), specifically dedicated to computation of EFTEM 3D chemical maps including noise filtering by image reconstitution based on multivariate statistical analysis. We also present an algorithm named BgART (for background removing algebraic reconstruction technique) allowing the discrimination between background and signal and improving the reconstructed volume in an iterative way.

  15. 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…

  16. Quality assurance of X-ray spectrometry for chemical analysis

    NASA Astrophysics Data System (ADS)

    Barreiros, M. A.; Pinheiro, T.; Araújo, M. F.; Costa, M. M.; Palha, M.; da Silva, R. C.

    2001-11-01

    Three different techniques, energy dispersive X-ray fluorescence, total reflection X-ray fluorescence and particle induced X-ray emission were used to initiate an evaluation program on quality assurance (QA) procedures applied to X-ray spectrometry for chemical analysis. The use of standard methodologies to assure the statistical control of measurement data is the main objective of this work. Certified Reference Materials were used and up to 15 certified elements were analyzed to carry out the QA procedures. For the internal quality control, z-scores were calculated and control charts were produced. The plotted elemental data illustrate statistically controlled methodologies for the majority of the determinations. Even the cases where the control charts exhibit values out of control limits, the z-scores are below 3 in absolute value, indicating satisfactory results. Concerning external quality control the statistical methods applied showed that the results obtained for the three techniques are comparable, although some significant differences occur, mainly due to sample preparation. Therefore, the techniques are traceable to certified reference materials and the data gathered so far, enable to initiate a database for QA procedures.

  17. Incomplete oxidation of ethylenediaminetetraacetic acid in chemical oxygen demand analysis.

    PubMed

    Anderson, James E; Mueller, Sherry A; Kim, Byung R

    2007-09-01

    Ethylenediaminetetraacetic acid (EDTA) was found to incompletely oxidize in chemical oxygen demand (COD) analysis, leading to incorrect COD values for water samples containing relatively large amounts of EDTA. The degree of oxidation depended on the oxidant used, its concentration, and the length of digestion. The COD concentrations measured using COD vials with a potassium dichromate concentration of 0.10 N (after dilution by sample and sulfuric acid) were near theoretical oxygen demand values. However, COD measured with dichromate concentrations of 0.010 N and 0.0022 N were 30 to 40% lower than theoretical oxygen demand values. Similarly, lower COD values were observed with manganic sulfate as oxidant at 0.011 N. Extended digestion yielded somewhat higher COD values, suggesting incomplete and slower oxidation of EDTA, as a result of lower oxidant concentrations. For wastewater in which EDTA is a large fraction of COD, accurate COD measurement may not be achieved with methods using dichromate concentrations less than 0.1 N.

  18. Method of chemical analysis for oil shale wastes

    SciTech Connect

    Wallace, J.R.; Alden, L.; Bonomo, F.S.; Nichols, J.; Sexton, E.

    1984-06-01

    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 perform well under field conditions. Ion chromatograph has been developed as a technique for the minor non-carbonate inorganic anions in retort water, including SO4, NO3, S2O3, SCN(-1), and total S. The method recommended for sulfide is a potiometric titration with Pb(II). The freezing point depression was used to determine the total solute content in retort waters, a test which can be considered analogous to the standard residue test. Three methods are described for the determination of total ammoniacal nitrogen in retort wastewaters: (1) a modified ion selective electrode technique, (2) an optical absorption technique, and (3) an ion chromatographic technique. Total sulfur in retort gas is determined by combusting the gas in a continuously flowing system, whereupon the resulting sulfur dioxide is determined by SO2 monitor. Individual sulfur species in retort gas including H2S, COS, SO2, and CH3CH2SH are determined by gas chromatography with flame photometric detection. Quality control, pH, conductivity, total inorganic carbon, and total organic carbon measurements are discussed briefly.

  19. Using Cryptography to Improve Conjunction Analysis

    NASA Astrophysics Data System (ADS)

    Hemenway, B.; Welser, B.; Baiocchi, D.

    2012-09-01

    Coordination of operations between satellite operators is becoming increasingly important to prevent collisions. Unfortunately, this coordination is often handicapped by a lack of trust. Coordination and cooperation between satellite operators can take many forms, however, one specific area where cooperation between operators would yield significant benefits is in the computation of conjunction analyses. Passively collected orbital are of generally of too low fidelity to be of use in conjunction analyses. Each operator, however, maintains high fidelity data about their own satellites. These high fidelity data are significantly more valuable in calculating conjunction analyses than the lower-fidelity data. If operators were to share their high fidelity data overall space situational awareness could be improved. At present, many operators do not share data and as a consequence space situational awareness suffers. Restrictive data sharing policies are primarily motivated by privacy concerns on the part of the satellite operators, as each operator is reluctant or unwilling to share data that might compromise its political or commercial interests. In order to perform the necessary conjunction analyses while still maintaining the privacy of their own data, a few operators have entered data sharing agreements. These operators provide their private data to a trusted outside party, who then performs the conjunction analyses and reports the results to the operators. These types of agreements are not an ideal solution as they require a degree of trust between the parties, and the cost of employing the trusted party can be large. In this work, we present and analyze cryptographic tools that would allow satellite operators to securely calculate conjunction analyses without the help of a trusted outside party, while provably maintaining the privacy of their own orbital information. For example, recent advances in cryptographic protocols, specifically in the area of secure

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

    SciTech Connect

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

    1995-11-01

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

  1. 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

  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.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. Evaluation of the sulfur sorption properties of chemically improved limestones during fluidized-bed combustion

    SciTech Connect

    Grimm, U.

    1981-03-01

    A program was initiated in early 1980 at the Morgantown Energy Technology Center, Department of Energy, to evaluate the sulfur retention capability of a number of chemically improved limestones. These synthetic sorbents were developed by the University of Tennessee under an agreement with the Tennessee Valley Authority. Fredonia limestone and Shawnee hopper ash, in combination with a binder, are the main ingredients of the artificial sorbents. The manufacturing process of these pellets is described elsewhere. The effectiveness of the sorbents in sulfur emission controls and their calcium utilization potential were originally controlled by a rapid TG method displayed by the University of Tennessee. Performance data in real fluidizing combustion processes were missing. In a cooperative effort between the Morgantown Energy Technology Center and the Energy Research Division of TVA, an agreement was reached to test four new sorbents, a power station fly ash, and Fredonia limestone at the Morgantown 6-Inch Diameter AFBC Facility. The results generated in the fluidized-combustion test confirmed the findings by the University of Tennessee and the test program was determined to be highly successful. Details of the program as well as the results are presented in this report.

  13. 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.

  14. Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition?

    NASA Astrophysics Data System (ADS)

    Saha, Soumen; Roy, Ram Kinkar; Ayers, Paul W.

    In the present article, we report a comparative study between the Hirshfeld and Mulliken population analysis schemes (abbreviated as HPA and MPA, respectively). Trends of atomic charges derived from these two population analysis schemes are compared with those expected from other commonly used chemical concepts like electronegativity, inductive effects, and resonance effects. Although previous studies on intramolecular reactivity sequences demonstrated that HPA generates reliable and non-negative (and thus physically more realistic) condensed Fukui function (FF) values, the present study reveals problems with the HPA charge partitioning technique. Specifically, HPA fails to reproduce reliable intermolecular and intramolecular charge trends in several systems. Reasons for the success and failure of HPA are discussed and a method for improving the Hirshfeld charge partitioning is proposed.

  15. 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.

  16. 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

  17. Improved exposure estimation in soil screening and clean-up criteria for volatile organic chemicals.

    PubMed

    DeVaull, George E

    2017-02-18

    Soil clean-up criteria define acceptable concentrations of organic chemical constituents for exposed humans. These criteria sum the estimated soil exposure over multiple pathways. Assumptions for ingestion, dermal contact, and dust exposure generally presume a chemical persists in surface soils at a constant concentration level for the entire exposure duration. For volatile chemicals this is an unrealistic assumption. A calculation method is presented for surficial soil criteria which include volatile depletion of chemical for these uptake pathways. The depletion estimates compare favorably with measured concentration profiles and with field measurements of soil concentration. Corresponding volatilization estimates compare favorably with measured data for a wide range of volatile and semi-volatile chemicals, including instances with and without the presence of a mixed-chemical residual phase. Selected examples show application of the revised factors in estimating screening levels for benzene in surficial soils. This article is protected by copyright. All rights reserved.

  18. Chemical supply chain modeling for analysis of homeland security events

    DOE PAGES

    Ehlen, Mark A.; Sun, Amy C.; Pepple, Mark A.; ...

    2013-09-06

    The potential impacts of man-made and natural disasters on chemical plants, complexes, and supply chains are of great importance to homeland security. To be able to estimate these impacts, we developed an agent-based chemical supply chain model that includes: chemical plants with enterprise operations such as purchasing, production scheduling, and inventories; merchant chemical markets, and multi-modal chemical shipments. Large-scale simulations of chemical-plant activities and supply chain interactions, running on desktop computers, are used to estimate the scope and duration of disruptive-event impacts, and overall system resilience, based on the extent to which individual chemical plants can adjust their internal operationsmore » (e.g., production mixes and levels) versus their external interactions (market sales and purchases, and transportation routes and modes). As a result, to illustrate how the model estimates the impacts of a hurricane disruption, a simple example model centered on 1,4-butanediol is presented.« less

  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. 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.

  1. 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...

  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. 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.

  4. Network structural analysis using directed graph for chemical reaction analysis in weakly-ionized plasmas

    NASA Astrophysics Data System (ADS)

    Nobuto, Kyosuke; Mizui, Yasutaka; Miyagi, Shigeyuki; Sakai, Osamu; Murakami, Tomoyuki

    2016-09-01

    We visualize complicated chemical reaction systems in weakly-ionized plasmas by analysing network structure for chemical processes, and calculate some indexes by assuming interspecies relationships to be a network to clarify them. With the current social evolution, the mean size of general data which we can use in computers grows huge, and significance of the data analysis increases. The methods of the network analysis which we focus on in this study do not depend on a specific analysis target, but the field where it has been already applied is still limited. In this study, we analyse chemical reaction systems in plasmas for configuring the network structure. We visualize them by expressing a reaction system in a specific plasma by a directed graph and examine the indexes and the relations with the characteristic of the species in the reaction system. For example, in the methane plasma network, the centrality index reveals importance of CH3 in an influential position of species in the reaction. In addition, silane and atmospheric pressure plasmas can be also visualized in reaction networks, suggesting other characteristics in the centrality indexes.

  5. 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/.

  6. 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

  7. 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…

  8. RMP Guidance for Chemical Distributors - Chapter 4: Offsite Consequence Analysis

    EPA Pesticide Factsheets

    How to perform the OCA for regulated substances, informing the government and the public about potential consequences of an accidental chemical release at your facility. Includes calculations for worst-case scenario, alternative scenarios, and endpoints.

  9. A Chemical Plant Safety and Hazard Analysis Course.

    ERIC Educational Resources Information Center

    Gupta, J. P.

    1989-01-01

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

  10. 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 ...

  11. 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.

  12. 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

  13. Chemical landscape analysis with the OpenTox framework.

    PubMed

    Jeliazkova, Nina; Jeliazkov, Vedrin

    2012-01-01

    The Structure-Activity Relationships (SAR) landscape and activity cliffs concepts have their origins in medicinal chemistry and receptor-ligand interactions modelling. While intuitive, the definition of an activity cliff as a "pair of structurally similar compounds with large differences in potency" is commonly recognized as ambiguous. This paper proposes a new and efficient method for identifying activity cliffs and visualization of activity landscapes. The activity cliffs definition could be improved to reflect not the cliff steepness alone, but also the rate of the change of the steepness. The method requires explicitly setting similarity and activity difference thresholds, but provides means to explore multiple thresholds and to visualize in a single map how the thresholds affect the activity cliff identification. The identification of the activity cliffs is addressed by reformulating the problem as a statistical one, by introducing a probabilistic measure, namely, calculating the likelihood of a compound having large activity difference compared to other compounds, while being highly similar to them. The likelihood is effectively a quantification of a SAS Map with defined thresholds. Calculating the likelihood relies on four counts only, and does not require the pairwise matrix storage. This is a significant advantage, especially when processing large datasets. The method generates a list of individual compounds, ranked according to the likelihood of their involvement in the formation of activity cliffs, and goes beyond characterizing cliffs by structure pairs only. The visualisation is implemented by considering the activity plane fixed and analysing the irregularities of the similarity itself. It provides a convenient analogy to a topographic map and may help identifying the most appropriate similarity representation for each specific SAR space. The proposed method has been applied to several datasets, representing different biological activities. Finally

  14. 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.

  15. 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...

  16. 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

  17. 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.

  18. Cluster chemical ionization for improved confidence level in sample identification by gas chromatography/mass spectrometry.

    PubMed

    Fialkov, Alexander B; Amirav, Aviv

    2003-01-01

    Upon the supersonic expansion of helium mixed with vapor from an organic solvent (e.g. methanol), various clusters of the solvent with the sample molecules can be formed. As a result of 70 eV electron ionization of these clusters, cluster chemical ionization (cluster CI) mass spectra are obtained. These spectra are characterized by the combination of EI mass spectra of vibrationally cold molecules in the supersonic molecular beam (cold EI) with CI-like appearance of abundant protonated molecules, together with satellite peaks corresponding to protonated or non-protonated clusters of sample compounds with 1-3 solvent molecules. Like CI, cluster CI preferably occurs for polar compounds with high proton affinity. However, in contrast to conventional CI, for non-polar compounds or those with reduced proton affinity the cluster CI mass spectrum converges to that of cold EI. The appearance of a protonated molecule and its solvent cluster peaks, plus the lack of protonation and cluster satellites for prominent EI fragments, enable the unambiguous identification of the molecular ion. In turn, the insertion of the proper molecular ion into the NIST library search of the cold EI mass spectra eliminates those candidates with incorrect molecular mass and thus significantly increases the confidence level in sample identification. Furthermore, molecular mass identification is of prime importance for the analysis of unknown compounds that are absent in the library. Examples are given with emphasis on the cluster CI analysis of carbamate pesticides, high explosives and unknown samples, to demonstrate the usefulness of Supersonic GC/MS (GC/MS with supersonic molecular beam) in the analysis of these thermally labile compounds. Cluster CI is shown to be a practical ionization method, due to its ease-of-use and fast instrumental conversion between EI and cluster CI, which involves the opening of only one valve located at the make-up gas path. The ease-of-use of cluster CI is analogous

  19. X-ray texture analysis of paper coating pigments and the correlation with chemical composition analysis

    NASA Astrophysics Data System (ADS)

    Roine, J.; Tenho, M.; Murtomaa, M.; Lehto, V.-P.; Kansanaho, R.

    2007-10-01

    The present research experiments the applicability of x-ray texture analysis in investigating the properties of paper coatings. The preferred orientations of kaolin, talc, ground calcium carbonate, and precipitated calcium carbonate particles used in four different paper coatings were determined qualitatively based on the measured crystal orientation data. The extent of the orientation, namely, the degree of the texture of each pigment, was characterized quantitatively using a single parameter. As a result, the effect of paper calendering is clearly seen as an increase on the degree of texture of the coating pigments. The effect of calendering on the preferred orientation of kaolin was also evident in an independent energy dispersive spectrometer analysis on micrometer scale and an electron spectroscopy for chemical analysis on nanometer scale. Thus, the present work proves x-ray texture analysis to be a potential research tool for characterizing the properties of paper coating layers.

  20. 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

  1. Improved magnetic and electrical properties of Cu doped Fe-Ni invar alloys synthesized by chemical reduction technique

    NASA Astrophysics Data System (ADS)

    Ahmad, Sajjad; Ziya, Amer Bashir; Ashiq, Muhammad Naeem; Ibrahim, Ather; Atiq, Shabbar; Ahmad, Naseeb; Shakeel, Muhammad; Khan, Muhammad Azhar

    2016-12-01

    Fe-Ni-Cu invar alloys of various compositions (Fe65Ni35-xCux, x=0, 0.2, 0.6, 1, 1.4 and 1.8) were synthesized via chemical reduction route. These alloys were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometry (VSM) techniques. The XRD analysis revealed the formation of face centered cubic (fcc) structure. The lattice parameter and the crystallite size of the investigated alloys were calculated and the line broadening indicated the nano-crystallites size of alloy powder. The particle size was estimated from SEM and it decreases by the incorporation of Cu and found to be in the range of 24-40 nm. The addition of Cu in these alloys appreciably enhances the saturation magnetization and it increases from 99 to 123 emu/g. Electrical conductivity has been improved with Cu addition. The thermal conductivity was calculated using the Wiedemann-Franz law.

  2. 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.

  3. Flow analysis techniques as effective tools for the improved environmental analysis of organic compounds expressed as total indices.

    PubMed

    Maya, Fernando; Estela, José Manuel; Cerdà, Víctor

    2010-04-15

    The scope of this work is the accomplishment of an overview about the current state-of-the-art flow analysis techniques applied to the environmental determination of organic compounds expressed as total indices. Flow analysis techniques are proposed as effective tools for the quick obtention of preliminary chemical information about the occurrence of organic compounds on the environment prior to the use of more complex, time-consuming and expensive instrumental techniques. Recently improved flow-based methodologies for the determination of chemical oxygen demand, halogenated organic compounds and phenols are presented and discussed in detail. The aim of the present work is to demonstrate the highlight of flow-based techniques as vanguard tools on the determination of organic compounds in environmental water samples.

  4. Particle size analysis of nanocrystals: improved analysis method.

    PubMed

    Keck, Cornelia M

    2010-05-05

    The influence of optical parameters, additional techniques (e.g. PIDS technology) and the importance of light microscopy were investigated by comparing laser diffraction data obtained via the conventional method and an optimized analysis method. Also the influence of a possible dissolution of nanocrystals during a measurement on the size result obtained was assessed in this study. The results reveal that dissolution occurs if unsaturated medium or microparticle saturated medium is used for the measurements. The dissolution is erratic and the results are not reproducible. Dissolution can be overcome by saturating the measuring medium prior to the measurement. If nanocrystals are analysed the dispersion medium should be saturated with the nanocrystals, because the solubility is higher than for coarse micro-sized drug material. The importance of using the optimized analysis method was proven by analysing 40 different nanosuspensions via the conventional versus the optimized sizing method. There was no large difference in the results obtained for the 40 nanosuspensions using the conventional method. This would have led to the conclusion, that all the 40 formulations investigated are physically stable. However, the analysis via the optimized method revealed that from 40 formulations investigated only four were physically stable. In conclusion an optimized analysis saves time and money and avoids misleading developments, because discrimination between "stable" and "unstable" can be done reliably at a very early stage of the development.

  5. 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.

  6. 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+.

  7. 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.

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

    PubMed

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

    2016-06-13

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

  9. 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.

  10. Cheminformatics Analysis of EPA ToxCast Chemical Libraries ...

    EPA Pesticide Factsheets

    An important goal of toxicology research is the development of robust methods that use in vitro and chemical structure information to predict in vivo toxicity endpoints. The US EPA ToxCast program is addressing this goal using ~600 in vitro assays to create bioactivity profiles on a set of 320 compounds, mostly pesticide actives, that have well characterized in vivo toxicity. These 320 compounds (EPA-320 set evaluated in Phase I of ToxCast) are a subset of a much larger set of ~10,000 candidates that are of interest to the EPA (called here EPA-10K). Predictive models of in vivo toxicity are being constructed from the in vitro assay data on the EPA-320 chemical set. These models require validation on additional chemicals prior to wide acceptance, and this will be carried out by evaluating compounds from EPA-10K in Phase II of ToxCast. We have used cheminformatics approaches including clustering, data visualization, and QSAR to develop models for EPA-320 that could help prioritizing EPA-10K validation chemicals. Both chemical descriptors, as well as calculated physicochemical properties have been used. Compounds from EPA-10K are prioritized based on their similarity to EPA-320 using different similarity metrics, with similarity thresholds defining the domain of applicability for the predictive models built for EPA-320 set. In addition, prioritized lists of compounds of increasing dissimilarity from the EPA-320 have been produced, to test the ability of the EPA-320

  11. Analysis of Chemical Bioactivity through In Vitro Profiling ...

    EPA Pesticide Factsheets

    Safety assessment of drugs and environmental chemicals relies extensively on animal testing. However, the quantity of chemicals needing assessment and challenges of species extrapolation drive the development of alternative approaches. The EPA’s ToxCast and the multiagency Tox21 programs address this through use of an extensive in vitro screening program to generate data on a large library of important environmental chemicals. These in vitro assays encompass both cell-free, biochemical assays targeting proteins that may be potential molecular initiating events and cellular assays that provide coverage of critical signaling pathways and toxicity phenotypes. Effects on model organisms such as the developing zebrafish, are also part of the testing strategy. A variety of computational approaches are used to analyze the resulting complex data sets to gain insight in to inherent biological activity of chemicals and possible mechanisms of toxicity. Several case studies including identification of modulators of estrogen receptor and aromatic hydrocarbon receptor pathways with effects in primary human cell systems will be described. In addition, existing in vivo data from a subset of the chemicals was used to anchor predictive models using in vitro data for a number of adverse endpoints including reproductive and developmental toxicities. The strengths and weaknesses of this approach will be described. This work does not necessarily reflect official Agency policy. Pres

  12. 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.

  13. 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.

  14. 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.

  15. On-flow pulsed field gradient heteronuclear correlation spectrometry in off-line LC-SPE-NMR analysis of chemicals related to the chemical weapons convention.

    PubMed

    Koskela, Harri; Ervasti, Mia; Björk, Heikki; Vanninen, Paula

    2009-02-01

    Hyphenation of liquid chromatography with nuclear magnetic resonance spectroscopy (LC-NMR) is a useful technique in the analysis of complex samples. However, application of on-flow 1H NMR spectrometry during the LC-NMR analysis usually suffers from high intensity of eluent resonances. The poor dynamic range can be improved either with use of deuterated eluents or with various signal suppression schemes. Deuterated eluents are expensive, and peak-selective signal suppression schemes are often unsatisfactory when detection of chemicals at low concentration is needed. If the analytes have a common heteronucleus, on-flow pulsed field gradient heteronuclear correlation spectrometry can offer several benefits. The analytes can be monitored selectively, while the intense nondeuterated eluent and impurity background can be effectively eliminated. In our study, on-flow one-dimensional (1D) 1H-31P heteronuclear single quantum coherence (HSQC) spectrometry was utilized in the analysis of characteristic organophosphorus degradation products of nerve agents sarin and soman during chromatographic separation. These chemicals were not detectable by UV, so their retention times were monitored using on-flow 1D 1H-31P HSQC. This enabled application of LC-NMR combined with solid-phase extraction (LC-SPE-NMR) in analysis of these organophosphorus chemicals in an alkaline decontamination solution. The analytes were extracted from the SPE cartridges with deuterated eluent, and the off-line NMR analysis was performed using a mass-sensitive microcoil probe head. The used on-flow 1D 1H-31P HSQC approach offered a high dynamic range and good detection limit (ca. 10 microg/55 nmol) with a high sampling frequency (1 point per 2 s) in the acquired pseudo-two-dimensional spectrum. No significant impurity background was present in the off-line NMR samples, and identification of the extracted analytes was straightforward.

  16. Chemical shift and coupling constant analysis of dibenzyloxy disulfides

    NASA Astrophysics Data System (ADS)

    Stoutenburg, Eric G.; Gryn'ova, Ganna; Coote, Michelle L.; Priefer, Ronny

    2015-02-01

    Dialkoxy disulfides have found applications in the realm of organic synthesis as an S2 or alkoxy donor, under thermal and photolytic decompositions conditions, respectively. Spectrally, dibenzyloxy disulfides possess an ABq in the 1H NMR, which can shift by over 1.1 ppm depending on the substituents present on the aromatic ring, as well as the solvent employed. The effect of the said substituents and solvent were analyzed and compared to the center of the ABq, geminal coupling, and the differences in chemical shifts of the individual doublets. Additionally, quantum-chemical calculations demonstrated the intramolecular H-bonding arrangement, found within the dibenzyloxy disulfides.

  17. 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.

  18. 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...

  19. 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)

  20. 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.

  1. 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.

  2. Improvements to the CONTINUE feature in transient analysis

    NASA Technical Reports Server (NTRS)

    Pamidi, P. R.

    1989-01-01

    The CONTINUE feature in transient analysis as implemented in the standard release of COSMIC/NASTRAN has inherent errors associated with it. As a consequence, the results obtained by a CONTINUEd restart run do not, in general, match the results that would be obtained in a single run without the CONTINUE feature. These inherent errors were eliminated by improvements to the restart logic that were developed by RPK Corporation and that are available on all RPK-supported versions of COSMIC/NASTRAN. These improvements ensure that the results of a CONTINUEd transient analysis run are the same as those of a non-CONTINUEd run. In addition, the CONTINUE feature was extended to transient analysis involving uncoupled modal equations. The improvements and enhancement were illustrated by examples.

  3. Genomic analysis of thermophilic Bacillus coagulans strains: efficient producers for platform bio-chemicals

    PubMed Central

    Su, Fei; Xu, Ping

    2014-01-01

    Microbial strains with high substrate efficiency and excellent environmental tolerance are urgently needed for the production of platform bio-chemicals. Bacillus coagulans has these merits; however, little genetic information is available about this species. Here, we determined the genome sequences of five B. coagulans strains, and used a comparative genomic approach to reconstruct the central carbon metabolism of this species to explain their fermentation features. A novel xylose isomerase in the xylose utilization pathway was identified in these strains. Based on a genome-wide positive selection scan, the selection pressure on amino acid metabolism may have played a significant role in the thermal adaptation. We also researched the immune systems of B. coagulans strains, which provide them with acquired resistance to phages and mobile genetic elements. Our genomic analysis provides comprehensive insights into the genetic characteristics of B. coagulans and paves the way for improving and extending the uses of this species. PMID:24473268

  4. Genomic analysis of thermophilic Bacillus coagulans strains: efficient producers for platform bio-chemicals.

    PubMed

    Su, Fei; Xu, Ping

    2014-01-29

    Microbial strains with high substrate efficiency and excellent environmental tolerance are urgently needed for the production of platform bio-chemicals. Bacillus coagulans has these merits; however, little genetic information is available about this species. Here, we determined the genome sequences of five B. coagulans strains, and used a comparative genomic approach to reconstruct the central carbon metabolism of this species to explain their fermentation features. A novel xylose isomerase in the xylose utilization pathway was identified in these strains. Based on a genome-wide positive selection scan, the selection pressure on amino acid metabolism may have played a significant role in the thermal adaptation. We also researched the immune systems of B. coagulans strains, which provide them with acquired resistance to phages and mobile genetic elements. Our genomic analysis provides comprehensive insights into the genetic characteristics of B. coagulans and paves the way for improving and extending the uses of this species.

  5. Improvement of software for analysis of visual meteor data

    NASA Astrophysics Data System (ADS)

    Veljković, K.; Ivanović, I.

    2015-01-01

    In this paper, we present improvements made on our software for the analysis of visual meteor data. R package MetFns received major updates. Selection filters and algorithms for calculation of zenithal hourly rate and population index, as well as accompanying graphics, are corrected and their performance is improved. Web application MetRApp contains a completely remade user interface and some new features. Also, calculation performances are optimized.

  6. ASTP chemical and microbiological analysis of potable water

    NASA Technical Reports Server (NTRS)

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

    1976-01-01

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

  7. Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution

    PubMed Central

    2013-01-01

    Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic spectra of spin-orbitals' eigenstates; it is the most subtle issue regarding Koopmans' theorem as it brings many critics and refutation in the last decades, yet it is shown here as an irrefutable “observational” effect through computation, specific to any in silico spectra of an eigenproblem; the second level assumes the “frozen spin-orbitals” approximation during the extracting or adding of electrons to the frontier of the chemical system through the ionization and affinity processes, respectively; this approximation is nevertheless workable for great deal of chemical compounds, especially organic systems, and is justified for chemical reactivity and aromaticity hierarchies in an homologue series; the third and the most severe approximation regards the extension of the second one to superior orders of ionization and affinities, here studied at the level of chemical hardness compact-finite expressions up to spectral-like resolution for a paradigmatic set of aromatic carbohydrates. PMID:23970834

  8. 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.

  9. 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…

  10. 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

  11. 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…

  12. Development of Improved Vaccine Adjuvants Based on the Saponin Natural Product QS-21 through Chemical Synthesis.

    PubMed

    Fernández-Tejada, Alberto; Tan, Derek S; Gin, David Y

    2016-09-20

    Vaccines based on molecular subunit antigens are increasingly being investigated due to their improved safety and more precise targeting compared to classical whole-pathogen vaccines. However, subunit vaccines are inherently less immunogenic; thus, coadministration of an adjuvant to increase the immunogenicity of the antigen is often necessary to elicit a potent immune response. QS-21, an immunostimulatory saponin natural product, has been used as an adjuvant in conjunction with various vaccines in numerous clinical trials, but suffers from several inherent liabilities, including scarcity, chemical instability, and dose-limiting toxicity. Moreover, little is known about its mechanism of action. Over a decade-long effort, beginning at the University of Illinois at Urbana-Champaign and continuing at the Memorial Sloan Kettering Cancer Center (MSKCC), the group of Prof. David Y. Gin accomplished the total synthesis of QS-21 and developed a practical semisynthetic approach to novel variants that overcome the liabilities of the natural product. First, semisynthetic QS-21 variants were designed with stable amide linkages in the acyl chain domain that exhibited comparable in vivo adjuvant activity and lower toxicity than the natural product. Further modifications in the acyl chain domain and truncation of the linear tetrasaccharide domain led to identification of a trisaccharide variant with a simple carboxylic acid side chain that retained potent adjuvant activity, albeit with reemergence of toxicity. Conversely, an acyl chain analogue terminating in a free amine was inactive but enabled chemoselective functionalization with radiolabeled and fluorescent tags, yielding adjuvant-active saponin probes that, unlike inactive congeners, accumulated in the lymph nodes in vaccinated mice and internalized into dendritic cells. Subtle variations in length, stereochemistry, and conformational flexibility around the central glycosidic linkage provided QS-21 variants with adjuvant

  13. Development of Improved Vaccine Adjuvants Based on the Saponin Natural Product QS-21 through Chemical Synthesis

    PubMed Central

    2016-01-01

    Conspectus Vaccines based on molecular subunit antigens are increasingly being investigated due to their improved safety and more precise targeting compared to classical whole-pathogen vaccines. However, subunit vaccines are inherently less immunogenic; thus, coadministration of an adjuvant to increase the immunogenicity of the antigen is often necessary to elicit a potent immune response. QS-21, an immunostimulatory saponin natural product, has been used as an adjuvant in conjunction with various vaccines in numerous clinical trials, but suffers from several inherent liabilities, including scarcity, chemical instability, and dose-limiting toxicity. Moreover, little is known about its mechanism of action. Over a decade-long effort, beginning at the University of Illinois at Urbana-Champaign and continuing at the Memorial Sloan Kettering Cancer Center (MSKCC), the group of Prof. David Y. Gin accomplished the total synthesis of QS-21 and developed a practical semisynthetic approach to novel variants that overcome the liabilities of the natural product. First, semisynthetic QS-21 variants were designed with stable amide linkages in the acyl chain domain that exhibited comparable in vivo adjuvant activity and lower toxicity than the natural product. Further modifications in the acyl chain domain and truncation of the linear tetrasaccharide domain led to identification of a trisaccharide variant with a simple carboxylic acid side chain that retained potent adjuvant activity, albeit with reemergence of toxicity. Conversely, an acyl chain analogue terminating in a free amine was inactive but enabled chemoselective functionalization with radiolabeled and fluorescent tags, yielding adjuvant-active saponin probes that, unlike inactive congeners, accumulated in the lymph nodes in vaccinated mice and internalized into dendritic cells. Subtle variations in length, stereochemistry, and conformational flexibility around the central glycosidic linkage provided QS-21 variants with

  14. The Impact of Chemical Abrasion on Trace Element Analysis of Zircon by In Situ Micro-Analytical Techniques

    NASA Astrophysics Data System (ADS)

    Romanoski, A.; Coint, N.; Cottle, J. M.; Hetherington, C. J.; Barnes, C. G.

    2011-12-01

    Introduction of the chemical abrasion technique has significantly increased the precision and accuracy of ID-TIMS U-Pb dating of zircon. The chemical abrasion technique, coupled with thermal annealing, removes inclusions and metamict domains from zircon reducing the impact of Pb-loss leading to more concordant analyses.In this study, zircon from the Red Bluff Granitic Suite (TX) (ID-TIMS age 1120 ± 35 Ma) has been thermally annealed and chemically abraded prior to SHRIMP-RG and LA-MC-ICP-MS analysis.Chemically abraded zircon gives a date of 1109 ± 22 Ma with an average of 3% discordancy. This compares with dates of 1137 ± 48 Ma with an average of 39% discordancy for non-abraded zircon from the same sample. The dates overlap within uncertainty, but the age from chemically abraded zircon has a lower population uncertainty. Other petrographic and analytical observations of the chemically abraded zircon include brighter CL intensity, lower REE abundances, more consistent (smaller scatter) negative Eu/Eu* anomalies, less scatter in the chondrite-normalized LREE values, and a slightly less-steep chondrite normalized HREE slope. The data show that thermal annealing and chemical abrasion of zircon prior to analysis by in situ ion-beam or laser ablation techniques may result in better accuracy and greater concordance in U-Pb analysis of zircon. However, while improving the quality of some components of the trace element dataset (e.g. Eu anomalies) the process may prejudice the interpretation of zircon trace element data (e.g. HREECN slopes).

  15. Laser-induced fluorescence: quantitative analysis of atherosclerotic plaque chemical content in human aorta

    NASA Astrophysics Data System (ADS)

    Dai, Erbin; Wishart, David; Khoury, Samir; Kay, Cyril M.; Jugdutt, Bodh I.; Tulip, John; Lucas, Alexandra

    1996-05-01

    We have been studying laser-induced fluorescence as a technique for identification of selected changes in the chemical composition of atherosclerotic plaque. Formulae for quantification of chemical changes have been developed based upon analysis of fluorescence emission spectra using multiple regression analysis and the principal of least squares. The intima of human aortic necropsy specimens was injected with chemical compounds present in atherosclerotic plaque. Spectra recorded after injection of selected chemical components found in plaque (collagen I, III, IV, elastin and cholesterol) at varying concentrations (0.01 - 1.0 mg) were compared with saline injection. A single fiber system was used for both fluorescence excitation (XeCl excimer laser, 308 nm, 1.5 - 2.0 mJ/ pulse, 5 Hz) and fluorescence emission detection. Average spectra for each chemical have been developed and the wavelengths of peak emission intensity identified. Curve fitting analysis as well as multiple regression analysis were used to develop formulae for assessment of chemical content. Distinctive identifying average curves were established for each chemical. Excellent correlations were identified for collagen I, III, and IV, elastin, and cholesterol (R2 equals 0.92 6- 0.997). Conclusions: (1) Fluorescence spectra of human aortas were significantly altered by collagen I, collagen III, elastin and cholesterol. (2) Fluorescence spectroscopic analysis may allow quantitative assessment of atherosclerotic plaque chemical content in situ.

  16. 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

  17. 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.

  18. Chemical etching and EDAX analysis of beryllium-free nickel-chromium ceramo-metal alloy.

    PubMed

    Atta, O M; Mosleh, I E; Shehata, M T

    1995-10-01

    A chemical etching technique is described for producing etch patterns in beryllium-free nickel chromium ceramo-metal alloy. Disc-shaped samples were chemically etched, evaluated with SEM and analysed by the EDAX technique. Scanning electron micrographs revealed, profound retentive cavities. The EDAX analysis provided a comprehensive interpretation of the etch mechanism. The obtained results show that the developed chemical etching has the potential to produce a highly retentive etched surface with less problematic and less technique sensitive than electrolytic etching.

  19. Chemical Stockpile Disposal Program. Risk Analysis of the Continued Storage of Chemical Munitions

    DTIC Science & Technology

    1987-08-01

    FEIS Final Environmental Impact Statement FMEA failure modes and effects analysis GA GA Technologies Inc. HAZOP haz-r . td op.-ability analysis HF han...8217Li 6 operation at the facility HC handling operation related to onsite transportation HP high pressure H&R H&R Technical Associates, Inc. HA human...External Events ........... .................. .. 5-14 5.2.1. Tornadoes and High Winds . . . . ..... 5-14 5.2.2. Meteorite Sttikes

  20. Improvements in analysis techniques for segmented mirror arrays

    NASA Astrophysics Data System (ADS)

    Michels, Gregory J.; Genberg, Victor L.; Bisson, Gary R.

    2016-08-01

    The employment of actively controlled segmented mirror architectures has become increasingly common in the development of current astronomical telescopes. Optomechanical analysis of such hardware presents unique issues compared to that of monolithic mirror designs. The work presented here is a review of current capabilities and improvements in the methodology of the analysis of mechanically induced surface deformation of such systems. The recent improvements include capability to differentiate surface deformation at the array and segment level. This differentiation allowing surface deformation analysis at each individual segment level offers useful insight into the mechanical behavior of the segments that is unavailable by analysis solely at the parent array level. In addition, capability to characterize the full displacement vector deformation of collections of points allows analysis of mechanical disturbance predictions of assembly interfaces relative to other assembly interfaces. This capability, called racking analysis, allows engineers to develop designs for segment-to-segment phasing performance in assembly integration, 0g release, and thermal stability of operation. The performance predicted by racking has the advantage of being comparable to the measurements used in assembly of hardware. Approaches to all of the above issues are presented and demonstrated by example with SigFit, a commercially available tool integrating mechanical analysis with optical analysis.

  1. 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

  2. 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.

  3. Chemical and Microbiological Analysis of Sliced, Precooked, Canned Bacon

    DTIC Science & Technology

    1979-09-01

    350 C and examined after 24 and 48 hours for typical black, shiny convex calories surrounded by a clear zone ( AOAC , 1975)12. Typical colonies were...tested for coagulast production ( AOAC , 1975)12 9 U.S. Department of Health Education and Welfare, Food and Drug Administration. Bacteriological Analytical...samples were held under refrigeration. Chemical tests. Tests for moisture, protein, fat, salt, and ash were made in accordance with AOAC (197 )13

  4. 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

  5. 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.

  6. Heat and Chemical Exergy Analysis of Parabolic Trough Collector

    NASA Astrophysics Data System (ADS)

    Öztürk, M.; Üçgül, I.; Özek, N.

    2007-04-01

    Emissions of greenhouse gases and other pollutants, derived from the combustion of fossil fuels for heat and electricity generation, can be significantly reduced or even completely eliminated by substituting fossil fuels with a clean energy source, e.g. solar energy. However, solar radiation reaching the earth is diluted, intermittent, and, unequally distributed. These disadvantages can be overcome by converting solar energy into chemical energy carriers, i.e. solar fuels, such as solar hydrogen and solar methanol, which can be long-termed stored and long-ranged transported. Since the energy conversion efficiency of thermochemical processes is limited by the Carnot efficiency, the use of concentrated solar radiation as the source of high-temperature process heat provides a thermodynamically efficient path for the conversion of solar energy into chemical fuels. In this study, water-gas shift reaction in parabolic trough collector is evaluated with regarding the heat exergy and chemical exergy analyses and the results are given as tables and graphs.

  7. Correlated Imaging – A Grand Challenge in Chemical Analysis

    PubMed Central

    Masyuko, Rachel; Lanni, Eric; Sweedler, Jonathan V.; Bohn, Paul W.

    2013-01-01

    Correlated chemical imaging is an emerging strategy for acquisition of images by combining information from multiplexed measurement platforms to track, visualize, and interpret in situ changes in the structure, organization, and activities of interesting chemical systems, frequently spanning multiple decades in space and time. Acquiring and correlating information from complementary imaging experiments has the potential to expose complex chemical behavior in ways that are simply not available from single methods applied in isolation, thereby greatly amplifying the information gathering power of imaging experiments. However, in order to correlate image information across platforms, a number of issues must be addressed. First, signals are obtained from disparate experiments with fundamentally different figures of merit, including pixel size, spatial resolution, dynamic range, and acquisition rates. In addition, images are often acquired on different instruments in different locations, so the sample must be registered spatially so that the same area of the sample landscape is addressed. The signals acquired must be correlated in both spatial and temporal domains, and the resulting information has to be presented in a way that is readily understood. These requirements pose special challenges for image cross-correlation that go well beyond those posed in single technique imaging approaches. The special opportunities and challenges that attend correlated imaging are explored by specific reference to correlated mass spectrometric and Raman imaging, a topic of substantial and growing interest. PMID:23431559

  8. 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.

  9. 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.

  10. A thermodynamic analysis of alternative approaches to chemical looping combustion

    SciTech Connect

    Chakravarthy, Veerathu K; Daw, C Stuart; Pihl, Josh A

    2011-01-01

    In this article, we review and clarify some of the points made by previous authors regarding chemical looping combustion (CLC). While much of the recent interest in chemical looping combustion has been associated with carbon sequestration, our primary interest here is its potential to increase the thermodynamic efficiency of converting fuel chemical energy into useful work. We expand on several points about the details of CLC that we feel have not previously been sufficiently explored, and suggest alternative (and possibly more practical) approaches that exploit some of the same thermodynamic concepts. We illustrate our key points with {First} and {Second} Law analyses of ideal conceptual processes, which in addition to {CLC} also include isothermal, non-equilibrium, preheated combustion and combustion with thermochemical recuperation. Our results suggest that a significant portion of the potential efficiency benefit of CLC might be achieved without the need to handle and transport large quantities of solid oxygen storage material. Exploitation of this fact may lead to higher efficiency approaches for power generation from hydrocarbon fuels combustion.

  11. 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.

  12. Towards an improved understanding of processes controlling absorption efficiency and biomagnification of organic chemicals by fish.

    PubMed

    Xiao, Ruiyang; Arnot, Jon A; MacLeod, Matthew

    2015-11-01

    Dietary exposure is considered the dominant pathway for fish exposed to persistent, hydrophobic chemicals in the environment. Here we present a dynamic, fugacity-based three-compartment bioaccumulation model that describes the fish body as one compartment and the gastrointestinal tract (GIT) as two compartments. The model simulates uptake from the GIT by passive diffusion and micelle-mediated diffusion, and chemical degradation in the fish and the GIT compartments. We applied the model to a consistent measured dietary uptake and depuration dataset for rainbow trout (n=215) that is comprised of chlorinated benzenes, biphenyls, dioxins, diphenyl ethers, and polycyclic aromatic hydrocarbons (PAHs). Model performance relative to the measured data is statistically similar regardless of whether micelle-mediated diffusion is included; however, there are considerable uncertainties in modeling this process. When degradation in the GIT is assumed to be negligible, modeled chemical elimination rates are similar to measured rates; however, predicted concentrations of the PAHs are consistently higher than measurements by up to a factor of 20. Introducing a kinetic limit on chemical transport from the fish compartment to the GIT and increasing the rate constant for degradation of PAHs in tissues of the liver and/or GIT are required to achieve good agreement between the modelled and measured concentrations for PAHs. Our results indicate that the apparent low absorption efficiency of PAHs relative to the chemicals with similar hydrophobicity is attributable to biotransformation in the liver and/or the GIT. Our results provide process-level insights about controls on the extent of bioaccumulation of chemicals.

  13. 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,…

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

    PubMed

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

    1968-10-04

    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).

  15. 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...

  16. 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.

  17. 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.

  18. 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

    2014-08-06

    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.

  19. Chemical Analysis of Aerosols for Characterization of Long-Range Transport at Mt. Lassen, CA

    NASA Astrophysics Data System (ADS)

    Harada, Y.; Waddell, J. A.; Cliff, S. S.; Perry, K. D.; Kelly, P. B.

    2004-12-01

    Effective regional air pollution regulation requires an understanding of long-range aerosol transport and natural aerosol chemistry. Sample collection was performed at the Interagency Monitoring of Protected Visual Environments (IMPROVE) sampling site on Mt. Lassen in the Sierra Nevada range at 1755 m elevation. The site is in Northern California at Longitude 121° 34' 40", Latitude 40° 32' 25". Size segregated and time resolved aerosol samples were collected with an 8 DRUM sampler from April 15th to May 24th 2002 as part of the NOAA Intercontinental Transport and Chemical Transformation Experiment (ITCT). The samples were analyzed with Synchrotron X-Ray Fluorescence (S-XRF) and Time of Flight mass spectroscopy (TOFMS). The total aerosol concentration exhibits a clear daily cycling of total mass, due to a nighttime down-slope air circulation from the free troposphere. The sulfate peaked in concentration during the night. Elemental data is suggestive of dust transport from continental Asia. The micron size ranges were dominated by nitrate, while the sub-micron size ranges had high levels of sulfate. Chemical analysis shows oceanic influence through strong correlations between methyl sulfonic acid (MSA), iodine, and oxalate. The appearance of the oceanic biogenic tracers in the sub-micron fraction is most likely a result of vertical mixing over the Pacific Ocean. MSA follows a diurnal pattern similar to sulfate, however the differences suggest both an oceanic and continental source for sulfate. The carbon particulate signal did not show any diurnal pattern during the measurement period.

  20. 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.

  1. The National Treatment Improvement Evaluation Study: Retention Analysis.

    ERIC Educational Resources Information Center

    Orwin, Rob; Williams, Valerie

    This study focuses on programmatic factors that predict retention for individuals in drug and alcohol treatment programs through secondary analysis of data from the National Treatment Improvement Evaluation Study (NTIES). It addresses the relationships between completion rates, lengths of stay, and treatment modality. It examines the effect of…

  2. 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.

  3. Improvements to Filter Debris Analysis in Aviation Propulsion Systems

    DTIC Science & Technology

    2012-12-01

    UNCLASSIFIED UNCLASSIFIED Improvements to Filter Debris Analysis in Aviation Propulsion Systems Andrew Becker and Peter... debris is fundamental to determining the health of aviation propulsion oil-wetted systems. The oil filter is an excellent source of wear debris , however...methods for removing and assessing the debris have traditionally involved tedious visual examination of the filter pleats and manual counting of

  4. 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.…

  5. Group Interaction Analysis for Improvement of Classroom Discussion.

    ERIC Educational Resources Information Center

    Perry, Constance M.

    In order to improve the quality of classroom discussion, Group Interaction Analysis (GIA) is suggested as a means of increasing an individual's awareness of the role he assumes in group discussions. GIA is a systemized technique involving the observation of both beneficial and non-beneficial discussion activities. These activities are: (1) fact…

  6. Can an understanding of transactional analysis improve postgraduate clinical supervision?

    PubMed

    Sivan, Manoj; McKimm, Judy; Held, Sam

    2011-01-01

    Clinical supervision in postgraduate medical training is vital in producing competent and safe health-care practitioners. Effective communication between supervisors and trainees at an interpersonal and professional level determines the quality of the supervision process. Transactional analysis, a theory of personality, can be used to enhance understanding of interpersonal interactions and improve the outcomes of clinical training.

  7. Chemical Evolution and Network Analysis in Protoplanetary Disks

    NASA Astrophysics Data System (ADS)

    Richard, D.; Davis, S. S.

    2005-12-01

    We present a study of the chemical evolution of protoplanetary disks focusing on the characteristics of the chemical network. Species of particular interest include H2O, CO, OCS, CH3OH and CH3OCH3. We simulate the evolution in a static bi-dimensional disk between the radii of 0.4 and 300 AU. The chemical network is built upon the UMIST rate database. The network is evolved until a stationary state is reached. Each species of interest's sub-network is analyzed to identify the most active reactions. In most cases, a small sub-set of reactions (2-5) is clearly dominant, accounting for more than 90% of the activity for a given species, at a given location. Because of the wide-ranging physical conditions in the disk, with temperatures from 10K to 2000K, these subsets of reactions vary with the location. For example, in the inner disk (0.4 AU), with temperatures over 2000K, H2O chemistry is dominated (in stationary state) by the reversible reaction H2 + OH ⇌ H2O + H ; at radius 0.7 AU, at a temperature of 950K, the activity is divided between H3O+ + HCN → HCNH+ + H2O and H3+ + H2O → H3O+ + H2 ; at 6 AU, with T=135K, between O- +H2 → H2O + e-; and H3+ + H2O → H3O+ + H2. There are two major benefits to identifying these reactions. The first is to reduce the number of chemical reactions to compute realistic abundances, and lower the cost of a future dynamical disk model coupled with the chemical evolution. The second benefit is to pick some reactions to be part of a current project to refine their rates using computational quantum chemistry techniques to address a major shortcoming: the lack of information or reliability concerning the temperature dependence of the reaction rates outside of the experimental window for which data was collected. A large number of rates form the UMIST database have no temperature dependence, and the ones that do are based on the classic Arrhenius law, which can be highly inaccurate if extrapolated over a large temperature range

  8. 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.

  9. Quality assessment of cortex cinnamomi by HPLC chemical fingerprint, principle component analysis and cluster analysis.

    PubMed

    Yang, Jie; Chen, Li-Hong; Zhang, Qin; Lai, Mao-Xiang; Wang, Qiang

    2007-06-01

    HPLC fingerprint analysis, principle component analysis (PCA), and cluster analysis were introduced for quality assessment of Cortex cinnamomi (CC). The fingerprint of CC was developed and validated by analyzing 30 samples of CC from different species and geographic locations. Seventeen chromatographic peaks were selected as characteristic peaks and their relative peak areas (RPA) were calculated for quantitative expression of the HPLC fingerprints. The correlation coefficients of similarity in chromatograms were higher than 0.95 for the same species while much lower than 0.6 for different species. Besides, two principal components (PCs) have been extracted by PCA. PC1 separated Cinnamomum cassia from other species, capturing 56.75% of variance while PC2 contributed for their further separation, capturing 19.08% variance. The scores of the samples showed that the samples could be clustered reasonably into different groups corresponding to different species and different regions. The scores and loading plots together revealed different chemical properties of each group clearly. The cluster analysis confirmed the results of PCA analysis. Therefore, HPLC fingerprint in combination with chemometric techniques provide a very flexible and reliable method for quality assessment of traditional Chinese medicines.

  10. 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…

  11. 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.

  12. 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.

  13. Novel approaches to improving the chemical safety of the meat chain towards toxicants.

    PubMed

    Engel, E; Ratel, J; Bouhlel, J; Planche, C; Meurillon, M

    2015-11-01

    In addition to microbiological issues, meat chemical safety is a growing concern for the public authorities, chain stakeholders and consumers. Meat may be contaminated by various chemical toxicants originating from the environment, treatments of agricultural production or food processing. Generally found at trace levels in meat, these toxicants may harm human health during chronic exposure. This paper overviews the key issues to be considered to ensure better control of their occurrence in meat and assessment of the related health risk. We first describe potential contaminants of meat products. Strategies to move towards a more efficient and systematic control of meat chemical safety are then presented in a second part, with a focus on emerging approaches based on toxicogenomics. The third part presents mitigation strategies to limit the impact of process-induced toxicants in meat. Finally, the last part introduces methodological advances to refine chemical risk assessment related to the occurrence of toxicants in meat by quantifying the influence of digestion on the fraction of food contaminants that may be assimilated by the human body.

  14. 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…

  15. Chemical dereplication of marine actinomycetes by liquid chromatography-high resolution mass spectrometry profiling and statistical analysis.

    PubMed

    Forner, David; Berrué, Fabrice; Correa, Hebelin; Duncan, Katherine; Kerr, Russell G

    2013-12-17

    Discovery of novel bioactive metabolites from marine bacteria is becoming increasingly challenging, and the development of novel approaches to improve the efficiency of early steps in the microbial drug discovery process is therefore of interest. For example, current protocols for the taxonomic dereplication of microbial strains generally use molecular tools which do not take into consideration the ability of these selected bacteria to produce secondary metabolites. As the identification of novel chemical entities is one of the key elements driving drug discovery programs, this study reports a novel methodology to dereplicate microbial strains by a metabolomics approach using liquid chromatography-high resolution mass spectrometry (LC-HRMS). In order to process large and complex three dimensional LC-HRMS datasets, the reported method uses a bucketing and presence-absence standardization strategy in addition to statistical analysis tools including principal component analysis (PCA) and cluster analysis. From a closely related group of Streptomyces isolated from geographically varied environments, we demonstrated that grouping bacteria according to the chemical diversity of produced metabolites is reproducible and provides greatly improved resolution for the discrimination of microbial strains compared to current molecular dereplication techniques. Importantly, this method provides the ability to identify putative novel chemical entities as natural product discovery leads.

  16. 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.

  17. 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.

  18. 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.

  19. Towards an improved modeling of chemical weathering in the SoilGen soil evolution model

    NASA Astrophysics Data System (ADS)

    Opolot, Emmanuel; Finke, Peter

    2014-05-01

    As the need for soil information particularly in the fields of agriculture, land evaluation, hydrology, biogeochemistry and climate change keeps increasing, models for soil evolution are increasingly becoming valuable tools to provide such soil information. Although still limited, such models are progressively being developed. The SoilGen model is one of such models with capabilities to provide soil information such as soil texture, pH, base saturation, organic carbon, CEC, etc over multi-millennia time scale. SoilGen is a mechanistic water flow driven pedogenetic model describing soil forming processes such as carbon cycling, clay migration, decalcification, bioturbation, physical weathering and chemical weathering. The model has been calibrated and confronted with field measurements in a number of case studies, giving plausible results. Discrepancies between measured and simulated soil properties as concluded from case studies have been mainly attributed to (i) the simple chemical weathering system (ii) poor estimates of initial data inputs such as bulk density and element fluxes, and (iii) incorrect values of variables that describe boundary conditions such as precipitation and potential evapotranspiration. This study focuses on extending the chemical weathering system, such that it can deal with a more heterogeneous composition of primary minerals and includes more elements such as Fe and Si. We propose and discuss here an extended description of chemical weathering in the model that is based on more primary minerals, taking into account the role of the specific area of these minerals, and the effect of physical weathering on these specific areas over time. In the initial stage, the proposed chemical weathering mechanism is also implemented in PHREEQC (a widely applied geochemical code with capabilities to simulate equilibrium reactions involving water and minerals, surface complexes and ion exchangers, etc.) to facilitate comparison with the model results

  20. Approximate chemical analysis of volcanic glasses using Raman spectroscopy.

    PubMed

    Di Genova, Danilo; Morgavi, Daniele; Hess, Kai-Uwe; Neuville, Daniel R; Borovkov, Nikita; Perugini, Diego; Dingwell, Donald B

    2015-12-01

    The effect of chemical composition on the Raman spectra of a series of natural calcalkaline silicate glasses has been quantified by performing electron microprobe analyses and obtaining Raman spectra on glassy filaments (~450 µm) derived from a magma mingling experiment. The results provide a robust compositionally-dependent database for the Raman spectra of natural silicate glasses along the calcalkaline series. An empirical model based on both the acquired Raman spectra and an ideal mixing equation between calcalkaline basaltic and rhyolitic end-members is constructed enabling the estimation of the chemical composition and degree of polymerization of silicate glasses using Raman spectra. The model is relatively insensitive to acquisition conditions and has been validated using the MPI-DING geochemical standard glasses1 as well as further samples. The methods and model developed here offer several advantages compared with other analytical and spectroscopic methods such as infrared spectroscopy, X-ray fluorescence spectroscopy, electron and ion microprobe analyses, inasmuch as Raman spectroscopy can be performed with a high spatial resolution (1 µm(2)) without the need for any sample preparation as a nondestructive technique. This study represents an advance in efforts to provide the first database of Raman spectra for natural silicate glasses and yields a new approach for the treatment of Raman spectra, which allows us to extract approximate information about the chemical composition of natural silicate glasses using Raman spectroscopy. We anticipate its application in handheld in situ terrestrial field studies of silicate glasses under extreme conditions (e.g. extraterrestrial and submarine environments).

  1. Approximate chemical analysis of volcanic glasses using Raman spectroscopy

    PubMed Central

    Morgavi, Daniele; Hess, Kai‐Uwe; Neuville, Daniel R.; Borovkov, Nikita; Perugini, Diego; Dingwell, Donald B.

    2015-01-01

    The effect of chemical composition on the Raman spectra of a series of natural calcalkaline silicate glasses has been quantified by performing electron microprobe analyses and obtaining Raman spectra on glassy filaments (~450 µm) derived from a magma mingling experiment. The results provide a robust compositionally‐dependent database for the Raman spectra of natural silicate glasses along the calcalkaline series. An empirical model based on both the acquired Raman spectra and an ideal mixing equation between calcalkaline basaltic and rhyolitic end‐members is constructed enabling the estimation of the chemical composition and degree of polymerization of silicate glasses using Raman spectra. The model is relatively insensitive to acquisition conditions and has been validated using the MPI‐DING geochemical standard glasses1 as well as further samples. The methods and model developed here offer several advantages compared with other analytical and spectroscopic methods such as infrared spectroscopy, X‐ray fluorescence spectroscopy, electron and ion microprobe analyses, inasmuch as Raman spectroscopy can be performed with a high spatial resolution (1 µm2) without the need for any sample preparation as a nondestructive technique. This study represents an advance in efforts to provide the first database of Raman spectra for natural silicate glasses and yields a new approach for the treatment of Raman spectra, which allows us to extract approximate information about the chemical composition of natural silicate glasses using Raman spectroscopy. We anticipate its application in handheld in situ terrestrial field studies of silicate glasses under extreme conditions (e.g. extraterrestrial and submarine environments). © 2015 The Authors Journal of Raman Spectroscopy Published by John Wiley & Sons Ltd PMID:27656038

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

    DOEpatents

    Ramsey, J. Michael

    2002-01-01

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

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

    DOEpatents

    Ramsey, J. Michael

    1999-01-01

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

  4. 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

  5. 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

  6. Chemical and Flowfield Modeling for Enhanced Analysis of Contamination Experiments

    NASA Technical Reports Server (NTRS)

    Braunstein, Matthew; Finchum, Andy (Technical Monitor)

    2001-01-01

    This paper describes the application of a new Direct Simulation Monte Carlo (DSMC) code, the Molecular Beam Simulator (MBS), which is designed to analyze laboratory scale molecular beam-surface (and crossed-beam) experiments. The MBS is primarily intended to model experiments associated with spacecraft contamination effects, but it can also be used to simulate a variety of surface chemistry and reactive flow measurements. The MBS code is fully three-dimensional, includes a wide-range of chemical processes, and can model one or multiple pulsed (non-steady) sources. As an example application of the MBS code, a fast, pulsed, oxygen atom-surface experiment which examines the chemistry behind erosion of graphite by oxygen atoms is analyzed. Unsteady DSMC simulations show that experimental observations of excited molecular states after the pulse has hit the surface are consistent with two distinct chemical mechanisms: a direct one where the excited molecules are formed on the surface, and a two-step mechanism where ground state molecules formed on the surface are collisionally excited after they leave the surface by trailing oxygen atoms in the pulse. Further DSMC calculations suggest experiments which can distinguish between these mechanisms.

  7. Ligand binding analysis and screening by chemical denaturation shift.

    PubMed

    Schön, Arne; Brown, Richard K; Hutchins, Burleigh M; Freire, Ernesto

    2013-12-01

    The identification of small molecule ligands is an important first step in drug development, especially drugs that target proteins with no intrinsic activity. Toward this goal, it is important to have access to technologies that are able to measure binding affinities for a large number of potential ligands in a fast and accurate way. Because ligand binding stabilizes the protein structure in a manner dependent on concentration and binding affinity, the magnitude of the protein stabilization effect elicited by binding can be used to identify and characterize ligands. For example, the shift in protein denaturation temperature (Tm shift) has become a popular approach to identify potential ligands. However, Tm shifts cannot be readily transformed into binding affinities, and the ligand rank order obtained at denaturation temperatures (≥60°C) does not necessarily coincide with the rank order at physiological temperature. An alternative approach is the use of chemical denaturation, which can be implemented at any temperature. Chemical denaturation shifts allow accurate determination of binding affinities with a surprisingly wide dynamic range (high micromolar to sub nanomolar) and in situations where binding changes the cooperativity of the unfolding transition. In this article, we develop the basic analytical equations and provide several experimental examples.

  8. 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

  9. Glycolic acid chemical peeling improves inflammatory acne eruptions through its inhibitory and bactericidal effects on Propionibacterium acnes.

    PubMed

    Takenaka, Yuko; Hayashi, Nobukazu; Takeda, Mikiko; Ashikaga, Sayaka; Kawashima, Makoto

    2012-04-01

    Glycolic acid chemical peeling is effective for treating comedones, and some clinical data show that it also improves inflammatory eruptions. The purpose of this study was to identify the mechanism of glycolic acid chemical peeling to improve inflammatory acne. To assess growth inhibitory and bactericidal effects of glycolic acid on Propionibacterium acnes in vitro, we used an agar diffusion method and a time-kill method. To reveal bactericidal effects in vivo, we established an agar-attached method which correlated well with the ordinary swab-wash method, and we used the agar-attached method to compare the numbers of propionibacteria on the cheek treated with glycolic acid chemical peeling. Our results show that 30% glycolic acid (at pH 1.5, 3.5 and 5.5) formed growth inhibitory circles in the agar diffusion method, but the diameters of those circles were smaller than with 1% nadifloxacin lotion or 1% clindamycin gel. In the time-kill method, 30% glycolic acid (at pH 1.5 and 3.5) or 1% nadifloxacin lotion reduced the number of P. acnes to less than 100 CFU/mL within 5 min. In contrast, in 30% glycolic acid (at pH 5.5) or in 1% clindamycin gel, P. acnes survived for more than 4 h. Chemical peeling with 35% glycolic acid (at pH 1.2) decreased the number of propionibacteria on the cheeks of patients compared with untreated controls (P < 0.01). Our results demonstrate that glycolic acid has moderate growth inhibitory and bactericidal effects on P. acnes, and that chemical peeling with glycolic acid works on inflammatory acne via those effects.

  10. 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.

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

    PubMed

    Mansur, Sanawar; Abdulla, Rahima; Ayupbec, Amatjan; Aisa, Haji Akbar

    2016-12-21

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

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. Chemical Stockpile Disposal Program. Risk Analysis of the Disposal of Chemical Munitions at Regional or National Sites.

    DTIC Science & Technology

    1987-08-01

    the frequency of periodic maintenance (PM); (2) the use of different failure detection systems; and (3) the various methods used to monitor equipment...EECUTIVE OFFICER-PROGRAM MANAGER FOR CHEMICAL DEMIUTARIZATION A h PIIOWlI GOUND , 4RYLAND 21010-5401 88 4 7 102 GA-C18563 RISK ANALYSIS OF THE DISPOSAL OF...any, directly in the fault tree and to make an allowance S for those not explicitly identified. A Beta factor method (e.g., Ref. 2-3) is a convenient

  17. Preformulation studies on the S-isomer of oxybutynin hydrochloride, an Improved Chemical Entity (ICE).

    PubMed

    Luner, P E; Kirsch, L E; Majuru, S; Oh, E; Joshi, A B; Wurster, D E; Redmon, M P

    2001-04-01

    (S)-Oxybutynin HCl (S-OXY) is a white crystalline solid powder with an acicular particle morphology. Differential scanning calorimetry (DSC) thermograms revealed one characteristic endotherm at 116.2 degrees C. On rescanning a sample heated to 120 degrees C, no thermal events were distinguished in the temperature range 25 degrees C to 150 degrees C. Weight loss curves determined by thermogravimetric analysis showed a continuous, gradual weight loss of about 0.15% over the temperature range 30 degrees C to 110 degrees C, followed by a change in slope and more rapid weight loss beginning at 150 degrees C. Observation by hot-stage microscopy confirmed the melting endotherm observed by DSC. Equilibrium moisture uptake studies indicated low water vapor uptake at low relative humidities (<52.8%). At relative humidities of 75.3% and 84.3%, S-OXY first deliquesced and then converted to a lower melting point crystal form. X-ray powder diffraction (XRPD) data supported the DSC findings. S-OXY underwent degradation by ester hydrolysis at alkaline pHs. The kinetics of this reaction were studied at 25 degrees C in carbonate-bicarbonate buffers. Observed rate constants of 0.008 h(-1) and 0.0552 h(-1) were determined at pH 9.69 and 10.25, respectively. The pKa of S-OXY was 7.75. The aqueous solubility of S-OXY was described as a function of pH and the free-base solubility. The mean partition coefficient log P was 3.33 using 1-octanol. The surface tensions of aqueous solutions of S-OXY decreased with increasing concentration, but no concentration-independent region was observed, indicating that S-OXY does notform micelles in aqueous solution. The dissolution rate of S-OXY from a compressed disk in 0.1 N HCl was rapid, whereas it was considerably slower at pH 7.4. Addition of 1% hexadecyltrimethylammonium bromide (CTAB) at pH 7.4 significantly improved the dissolution rate. S-OXY displayed very poor flow properties when compared to standard pharmaceutical excipients. XRPD results

  18. 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)

  19. Instantaneous physico-chemical analysis of suspension-based nanomaterials

    PubMed Central

    Meng, Fanxu; Ugaz, Victor M.

    2015-01-01

    High-throughput manufacturing of nanomaterial-based products demands robust online characterization and quality control tools capable of continuously probing the in-suspension state. But existing analytical techniques are challenging to deploy in production settings because they are primarily geared toward small-batch ex-situ operation in research laboratory environments. Here we introduce an approach that overcomes these limitations by exploiting surface complexation interactions that emerge when a micron-scale chemical discontinuity is established between suspended nanoparticles and a molecular tracer. The resulting fluorescence signature is easily detectable and embeds surprisingly rich information about composition, quantity, size, and morphology of nanoparticles in suspension independent of their agglomeration state. We show how this method can be straightforwardly applied to enable continuous sizing of commercial ZnO nanoparticles, and to instantaneously quantify the anatase and rutile composition of multicomponent TiO2 nanoparticle mixtures pertinent to photocatalysis and solar energy conversion. PMID:25923196

  20. Engineering and Functional Analysis of Mitotic Kinases Through Chemical Genetics.

    PubMed

    Jones, Mathew J K; Jallepalli, Prasad V

    2016-01-01

    During mitosis, multiple protein kinases transform the cytoskeleton and chromosomes into new and highly dynamic structures that mediate the faithful transmission of genetic information and cell division. However, the large number and strong conservation of mammalian kinases in general pose significant obstacles to interrogating them with small molecules, due to the difficulty in identifying and validating those which are truly selective. To overcome this problem, a steric complementation strategy has been developed, in which a bulky "gatekeeper" residue within the active site of the kinase of interest is replaced with a smaller amino acid, such as glycine or alanine. The enlarged catalytic pocket can then be targeted in an allele-specific manner with bulky purine analogs. This strategy provides a general framework for dissecting kinase function with high selectivity, rapid kinetics, and reversibility. In this chapter we discuss the principles and techniques needed to implement this chemical genetic approach in mammalian cells.

  1. 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.

  2. Chemical analysis of 24 dusty (pre-)main-sequence stars

    NASA Astrophysics Data System (ADS)

    Acke, B.; Waelkens, C.

    2004-12-01

    We have analysed the chemical photospheric composition of 24 Herbig Ae/Be and Vega-type stars in search for the λ Bootis phenomenon. We present the results of the elemental abundances of the sample stars. Some of the stars were never before studied spectroscopically at optical wavelengths. We have determined the projected rotational velocities of our sample stars. Furthermore, we discuss stars that depict a (selective) depletion pattern in detail. HD 4881 and HD 139614 seem to display an overall deficiency. AB Aur and possibly HD 126367 have subsolar values for the iron abundance, but are almost solar in silicon. HD 100546 is the only clear λ Bootis star in our sample. Appendix is only available in electronic form at http://www.edpsciences.org

  3. Analysis for chemical agent breakdown products: Avoiding IMPA false positives

    SciTech Connect

    Ives, K.M.; Markowitz, V.

    1996-12-31

    Cleanup of DOD sites where chemical warfare agents have been used or stored presents a number of unique problems. Isopropylmethylphosphonic Acid (IMPA), a degradation product of Sarin (GB), is one important contaminant to be monitored at many such sites. IMPA has historically been determined by Army Environmental Center (AEC) method UT02, an ion chromatography method. This method is prone to serious interference problems which can lead an inexperienced analyst to report false positive results. A study of interferences present in groundwater samples taken from a US military installation was undertaken. The interference problems were identified, and techniques were developed which minimize the problem in most samples. These techniques have been used by the authors in several large studies at DOD sites, and have virtually eliminated false positive problems.

  4. Process correlation analysis model for process improvement identification.

    PubMed

    Choi, Su-jin; Kim, Dae-Kyoo; 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.

  5. New approach to improve LER of EUV resist pattern by chemical and thermal treatment

    NASA Astrophysics Data System (ADS)

    Nagahara, Tatsuro; Yamamoto, Kazuma; Matsuura, Yuriko; Sekito, Takashi

    2015-03-01

    In this paper, we discuss a new approach to improve the resist roughness, which is applied after the lithography process. The ERC (Edge Roughness Controller) process is composed of two steps, 1) To deliver resist softening material at the resist surface 2) To give thermal flow at that region in the bake step. Several samples were prepared based on this concept and consistent improvement was observed. Finally, by optimizing ERC chemistry using HSP (Hansen Solubility Parameter), LWR improvement of 14.8% could be achieved.

  6. 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.

  7. Report: EPA Can Improve Implementation of the Risk Management Program for Airborne Chemical Releases

    EPA Pesticide Factsheets

    Report #09-P-0092, February 10, 2009. EPA can improve its program management and oversight to better assure that facilities covered by the Clean Air Act’s Risk Management Program submit or re-submit an RMP.

  8. 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.

  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. 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 analysis is presented. New thermal finite elements which yield exact nodal and element temperatures 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.

  11. An infant surgical table for laser photocoagulation: ergonomic improvement analysis.

    PubMed

    Ryland, K A; Nelson, C A; Hejkal, T W

    2010-02-01

    Current methods of treatment for retinopathy of prematurity, using laser photocoagulation, require surgeons to assume awkward standing positions, which can result in occupational injury. A new infant surgical table was designed for improving this surgical procedure. To quantify its benefits, an ergonomic comparison of the standard and modified procedures was carried out, using specialized checklists, Nordic Musculoskeletal Questionnaires, and analysis of videotaped procedures using an Ovako Working Posture Analysing System method. Analysis of the typical laser photocoagulation procedure revealed a high risk for cumulative trauma disorders. The majority of the risk factors were lowered considerably with use of the new table. Improvement was largely due to the new table allowing seated postures during surgery, relieving muscular stress on the back, shoulders and legs. This study demonstrates risk reduction through engineering design of new medical devices, and illustrates how combining different assessment approaches can help evaluate ergonomic impact of medical technologies.

  12. 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.

  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. Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single Bonds.

    PubMed

    Levine, Daniel S; Horn, Paul R; Mao, Yuezhi; Head-Gordon, Martin

    2016-10-11

    We have designed an energy decomposition analysis (EDA) to gain a deeper understanding of single chemical bonds, that is, those in which the interacting fragments are doublet open-shell systems but the supersystem is closed-shell. The method is a spin-pure extension of the absolutely localized molecular orbital (ALMO) EDA to the one-pair perfect pairing energy (equivalently to an active space of two electrons in two orbitals). The total interaction energy is broken up into four terms: frozen interactions, spin-coupling, polarization, and charge-transfer. A variety of single bonds are analyzed and, in addition, we use this method to show how solvation changes the nature of bonds, producing different results in the gas-phase and with explicit solvent molecules.

  15. Risk assessment for benefits analysis: framework for analysis of a thyroid-disrupting chemical.

    PubMed

    Axelrad, Daniel A; Baetcke, Karl; Dockins, Chris; Griffiths, Charles W; Hill, Richard N; Murphy, Patricia A; Owens, Nicole; Simon, Nathalie B; Teuschler, Linda K

    Benefit-cost analysis is of growing importance in developing policies to reduce exposures to environmental contaminants. To quantify health benefits of reduced exposures, economists generally rely on dose-response relationships estimated by risk assessors. Further, to be useful for benefits analysis, the endpoints that are quantified must be expressed as changes in incidence of illnesses or symptoms that are readily understood by and perceptible to the layperson. For most noncancer health effects and for nonlinear carcinogens, risk assessments generally do not provide the dose-response functions necessary for economic benefits analysis. This article presents the framework for a case study that addresses these issues through a combination of toxicology, epidemiology, statistics, and economics. The case study assesses a chemical that disrupts proper functioning of the thyroid gland, and considers the benefits of reducing exposures in terms of both noncancer health effects (hypothyroidism) and thyroid cancers. The effects are presumed to be due to a mode of action involving interference with thyroid-pituitary functioning that would lead to nonlinear dose response. The framework integrates data from animal testing, statistical modeling, human data from the medical and epidemiological literature, and economic methodologies and valuation studies. This interdisciplinary collaboration differs from the more typical approach in which risk assessments and economic analyses are prepared independently of one another. This framework illustrates particular approaches that may be useful for expanded quantification of adverse health effects, and demonstrates the potential of such interdisciplinary approaches. Detailed implementation of the case study framework will be presented in future publications.

  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. 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.

  18. 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…

  19. 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.

  20. A prodrug approach to improve the physico-chemical properties and decrease the genotoxicity of nitro compounds.

    PubMed

    Chung, Man Chin; Bosquesi, Priscila Longhin; dos Santos, Jean Leandro

    2011-01-01

    In therapeutics research, the nitro compounds are part of an important group of drugs with multiple pharmacological activities. However, in drug design, the inclusion of a nitro group in a molecule changes the physico-chemical and electronic properties and is associated with increased mutagenicity and carcinogenicity. In addition, several studies have related the relationship between the antimicrobial and/or anti-protozoal activity and the mutagenic effect to reduction of the nitro group. This work reviews the toxicity of nitro compounds and shows how the use of prodrugs can increase the biological activity and decrease the genotoxicity of nitro compounds, without any modification in nitro reduction behavior, but rather by physico-chemical improvement. Examples are given of metronidazole and nitrofurazone prodrugs.

  1. Improving Latino Youths' Environmental Health Literacy and Leadership Skills Through Participatory Research on Chemical Exposures in Cosmetics: The HERMOSA Study.

    PubMed

    Madrigal, Daniel S; Minkler, Meredith; Parra, Kimberly L; Mundo, Carolina; Gonzalez, Jesus Enrique Cardenas; Jimenez, Ramon; Vera, Carlos; Harley, Kim G

    2016-07-18

    To increase environmental health literacy (EHL) and leadership skills in Latino youth in Salinas, CA., we worked from 2012-2015 with 15 members of the CHAMACOS Youth Community Council (YCC), an outreach arm of a longitudinal study of impacts of environmental chemicals on children's health. The YCC program provided hands-on research experiences related to Endocrine Disrupting Chemicals (EDCs) in cosmetics and their possible health effects. We use participatory research principles and Bloom's Taxonomy of Educational Objectives to describe the development of EHC and leadership in the youth co-researchers. Using data from multiple qualitative sources, we explore the youths' engagement in a wide range of research and action processes. Promising outcomes, including perceptions of improved youth self-esteem, EHL, leadership, and career orientation are discussed, as are challenges, such as time constraints and high priority youth concerns not addressed by the study. Implications for other youth-engaged participatory science and leadership programs are presented.

  2. 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.

  3. 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...

  4. 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.

  5. 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.

  6. Chemical analysis of superconducting phase in K-doped picene

    NASA Astrophysics Data System (ADS)

    Kambe, Takashi; Nishiyama, Saki; Nguyen, Huyen L. T.; Terao, Takahiro; Izumi, Masanari; Sakai, Yusuke; Zheng, Lu; Goto, Hidenori; Itoh, Yugo; Onji, Taiki; Kobayashi, Tatsuo C.; Sugino, Hisako; Gohda, Shin; Okamoto, Hideki; Kubozono, Yoshihiro

    2016-11-01

    Potassium-doped picene (K3.0picene) with a superconducting transition temperature (T C) as high as 14 K at ambient pressure has been prepared using an annealing technique. The shielding fraction of this sample was 5.4% at 0 GPa. The T C showed a positive pressure-dependence and reached 19 K at 1.13 GPa. The shielding fraction also reached 18.5%. To investigate the chemical composition and the state of the picene skeleton in the superconducting sample, we used energy-dispersive x-ray (EDX) spectroscopy, MALDI-time-of-flight (MALDI-TOF) mass spectroscopy and x-ray diffraction (XRD). Both EDX and MALDI-TOF indicated no contamination with materials other than K-doped picene or K-doped picene fragments, and supported the preservation of the picene skeleton. However, it was also found that a magnetic K-doped picene sample consisted mainly of picene fragments or K-doped picene fragments. Thus, removal of the component contributing the magnetic quality to a superconducting sample should enhance the volume fraction.

  7. 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.

  8. Analysis of Pad Surface Roughness on Copper Chemical Mechanical Planarization

    NASA Astrophysics Data System (ADS)

    Matsumura, Yoshiyuki; Hirao, Takashi; Kinoshita, Masaharu

    2008-04-01

    For Cu high removal rate (RR) chemical mechanical planarization (CMP), the effect of pad surface roughness on Cu RR was investigated. Because surface roughness measured by the stylus profiler and the laser microscope (optical) profiler includes various topographies, it is difficult to conclude which effective roughness parameter affects Cu RR. Accordingly, the measured surface roughness was classified into two types of roughness scales. One is the topography by pores, and the other one is the micro roughness caused by conditioner. These were divided by a wavelength of surface profile. In this result, a stylus profile could not precisely trace two types of roughness scales. On the other hand, an optical magnification of 400 could trace the change in topography by micropores. And an optical magnification of 1000 could trace the change in micro roughness caused by conditioning. In the evaluation of Cu RR and the classified roughness, micro roughness measured by the optical magnification of 1000 was strongly correlated with Cu RR. It is concluded that Cu RR is affected by micro roughness caused by conditioner, and also its roughness is necessary to be measured by an optical profiler at high magnification.

  9. Analysis of physical and chemical parameters of bottled drinking water.

    PubMed

    Mahajan, Rakesh Kumar; Walia, T P S; Lark, B S; Sumanjit

    2006-04-01

    Seventeen different brands of bottled drinking water, collected from different retail shops in Amritsar, were analyzed for different physical and chemical parameters to ascertain their compliability with the prescribed/recommended limits of the World Heath Organization (WHO) and the United States Environmental Protection Agency (USEPA). It was found that the majority of the brands tested were over-treated. Lower values of hardness, total dissolved solids (TDS) and conductance than the prescribed limits of WHO showed that water was deficient in essential minerals. Minerals like magnesium, potassium, calcium and fluoride were present in some cases in such a low concentration that water seemed to be as good as distilled water. Samples showing fluoride lesser than 0.5 mg/l warranted additional sources of fluoride for the people consuming only bottled water for drinking purposes. Zero values for chlorine demand as shown by all the bottled water samples showed that water samples were safe from micro-organisms. In case of heavy metals, only lead had been found to be greater than the limit of 0.015 mg/l as prescribed by WHO and USEPA, in seven out of 17 samples. Lead even at such a low concentration can pose a great health hazard.

  10. ISS Potable Water Sampling and Chemical Analysis Results for 2016

    NASA Technical Reports Server (NTRS)

    Straub, John E., II; Plumlee, Debrah K.; Wallace William T.; Alverson, James T.; Benoit, Mickie J.; Gillispie, Robert L.; Hunter, David; Kuo, Mike; Rutz, Jeffrey A.; Hudson, Edgar K.; Loh, Leslie J.; Gazda, Daniel B.

    2017-01-01

    This paper continues the annual tradition of summarizing at this conference the results of chemical analyses performed on archival potable water samples returned from the International Space Station (ISS). 2016 represented a banner year for life on board the ISS, including the successful conclusion for two crew members of a record one-year mission. Water reclaimed from urine and/or humidity condensate remained the primary source of potable water for the crew members of ISS Expeditions 46-50. The year 2016 was also marked by the end of a long-standing tradition of U.S. sampling and monitoring of Russian Segment potable water sources. Two water samples taken during Expedition 46 in February 2016 and returned on Soyuz 44, represented the final Russian Segment samples to be collected and analyzed by the U.S. side. Although anticipated for 2016, a rise in the total organic carbon (TOC) concentration of the product water from the U.S. water processor assembly due to breakthrough of organic contaminants from the system did not materialize, as evidenced by the onboard TOC analyzer and archive sample results.

  11. 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

  12. Cytocompatibility assessment of chemical surface treatments for phosphate glass to improve adhesion between glass and polyester.

    PubMed

    S Hasan, M; Ahmed, I; Parsons, A J; Walker, G S; Scotchford, C A

    2013-11-01

    Fully resorbable phosphate glass fiber reinforced polymer composites have shown real potential for replacing some of the existing metallic bone fracture fixation devices. However, some of these composites have not provided suitable mechanical strength profiles over the required healing period for bone. Typically, it has been seen that these composites can lose up to 50% or more of their strength within the first week of degradation. Functionalizing the glass surface to promote polymer adhesion or to introduce hydrophobicity at the glass surface could potentially introduce control over the mechanical properties of the composite and their retention. In this study eight chemical agents namely, Glycerol 2-phosphate disodium salt; 3-phosphonopropionic acid; 3-aminopropyltriethoxy silane; etidronic acid; hexamethylene diisocyanate; sorbitol/sodium ended PLA oligomers and amino phosphonic acid, were selected to functionalise the bulk phosphate glass surface. Selected chemical agents had one functional group (-OH or O C N) to react with the glass and another functionality (either -OH, NH2, or Na) to react with the polymer matrix and/or produce hydrophobicity at the fiber surface. Bulk phosphate glass surface-treated with the above agents were assessed for the cytotoxicity of degradation products cell-material interaction in short- and long-term direct cytocompatibility studies. Results obtained from these cytocompatibility studies (using human osteosarcoma (MG63) and primary human osteoblast cell lines) revealed no cytotoxicity from the degradation products and a response comparable to controls in terms of cell functions (attachment, viability, metabolic activity, proliferation, and differentiation) and morphology.

  13. Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms.

    PubMed

    Sunoj, Raghavan B; Anand, Megha

    2012-10-05

    Over the years, several methods have been developed to effectively represent the chemical behavior of solutes in solvents. The environmental effects arising due to solvation can generally be achieved either through inclusion of discrete solvent molecules or by inscribing into a cavity in a homogeneous and continuum dielectric medium. In both these approaches of computational origin, the perturbations on the solute induced by the surrounding solvent are at the focus of the problem. While the rigor and method of inclusion of solvent effects vary, such solvation models have found widespread applications, as evident from modern chemical literature. A hybrid method, commonly referred to as cluster-continuum model (CCM), brings together the key advantages of discrete and continuum models. In this perspective, we intend to highlight the latent potential of CCM toward obtaining accurate estimates on a number of properties as well as reactions of contemporary significance. The objective has generally been achieved by choosing illustrative examples from the literature, besides expending efforts to bring out the complementary advantages of CCM as compared to continuum or discrete solvation models. The majority of examples emanate from the prevalent applications of CCM to organic reactions, although a handful of interesting organometallic reactions have also been discussed. In addition, increasingly accurate computations of properties like pK(a) and solvation of ions obtained using the CCM protocol are also presented.

  14. 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.

  15. 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.

  16. 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

  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

    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

  19. Spiral analysis-improved clinical utility with center detection.

    PubMed

    Wang, Hongzhi; Yu, Qiping; Kurtis, Mónica M; Floyd, Alicia G; Smith, Whitney A; Pullman, Seth L

    2008-06-30

    Spiral analysis is a computerized method that measures human motor performance from handwritten Archimedean spirals. It quantifies normal motor activity, and detects early disease as well as dysfunction in patients with movement disorders. The clinical utility of spiral analysis is based on kinematic and dynamic indices derived from the original spiral trace, which must be detected and transformed into mathematical expressions with great precision. Accurately determining the center of the spiral and reducing spurious low frequency noise caused by center selection error is important to the analysis. Handwritten spirals do not all start at the same point, even when marked on paper, and drawing artifacts are not easily filtered without distortion of the spiral data and corruption of the performance indices. In this report, we describe a method for detecting the optimal spiral center and reducing the unwanted drawing artifacts. To demonstrate overall improvement to spiral analysis, we study the impact of the optimal spiral center detection in different frequency domains separately and find that it notably improves the clinical spiral measurement accuracy in low frequency domains.

  20. 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

    2015-10-07

    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.

  1. Chemical modification of Saccharomycopsis fibuligera R64 α-amylase to improve its stability against thermal, chelator, and proteolytic inactivation.

    PubMed

    Ismaya, Wangsa Tirta; Hasan, Khomaini; Kardi, Idar; Zainuri, Amalia; Rahmawaty, Rinrin Irma; Permanahadi, Satyawisnu; El Viera, Baiq Vera; Harinanto, Gunawan; Gaffar, Shabarni; Natalia, Dessy; Subroto, Toto; Soemitro, Soetijoso

    2013-05-01

    α-Amylase catalyzes hydrolysis of starch to oligosaccharides, which are further degraded to simple sugars. The enzyme has been widely used in food and textile industries and recently, in generation of renewable energy. An α-amylase from yeast Saccharomycopsis fibuligera R64 (Sfamy) is active at 50 °C and capable of degrading raw starch, making it attractive for the aforementioned applications. To improve its characteristics as well as to provide information for structural study ab initio, the enzyme was chemically modified by acid anhydrides (nonpolar groups), glyoxylic acid (GA) (polar group), dimethyl adipimidate (DMA) (cross-linking), and polyethylene glycol (PEG) (hydrophilization). Introduction of nonpolar groups increased enzyme stability up to 18 times, while modification by a cross-linking agent resulted in protection of the calcium ion, which is essential for enzyme activity and integrity. The hydrophilization with PEG resulted in protection against tryptic digestion. The chemical modification of Sfamy by various modifiers has thereby resulted in improvement of its characteristics and provided systematic information beneficial for structural study of the enzyme. An in silico structural study of the enzyme improved the interpretation of the results.

  2. Addition of HOBt improves the conversion of thioester-Amine chemical ligation.

    PubMed

    Todorovski, Toni; Suñol, David; Riera, Antoni; Macias, Maria J

    2015-11-01

    The syntheses of large peptides and of those containing non-natural amino acids can be facilitated by the application of convergent approaches, dissecting the native sequence into segments connected through a ligation reaction. We describe an improvement of the ligation protocol used to prepare peptides and proteins without cysteine residues at the ligation junction. We have found that the addition of HOBt to the ligation, improves the conversion of the ligation reaction without affecting the epimerization rate or chemoselectivity, and it can be efficiently used with peptides containing phosphorylated amino acids.

  3. 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

  4. An improved method for thin layer chromatographic analysis of saponins.

    PubMed

    Sharma, Om P; Kumar, Neeraj; Singh, Bikram; Bhat, Tej K

    2012-05-01

    Analysis of saponins by thin layer chromatography (TLC) is reported. The solvent system was n-butanol:water:acetic acid (84:14:7). Detection of saponins on the TLC plates after development and air-drying was done by immersion in a suspension of sheep erythrocytes, followed by washing off the excess blood on the plate surface. Saponins appeared as white spots against a pink background. The protocol provided specific detection of saponins in the saponins enriched extracts from Aesculusindica (Wall. ex Camb.) Hook.f., Lonicera japonica Thunb., Silene inflata Sm., Sapindusmukorossi Gaertn., Chlorophytum borivilianum Santapau & Fernandes, Asparagusadscendens Roxb., Asparagus racemosus Willd., Agave americana L., Camellia sinensis [L.] O. Kuntze. The protocol is convenient, inexpensive, does not require any corrosive chemicals and provides specific detection of saponins.

  5. 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.

  6. The electron spectroscopy for chemical analysis microscopy beamline data acquisition system at ELETTRA

    NASA Astrophysics Data System (ADS)

    Gariazzo, C.; Krempaska, R.; Morrison, G. R.

    1996-07-01

    The electron spectroscopy for chemical analysis (ESCA) microscopy data acquisition system enables the user to control the imaging and spectroscopy modes of operation of the beamline ESCA microscopy at ELETTRA. It allows the user to integrate all experiment, beamline and machine operations in one single environment. The system also provides simple data analysis for both spectra and images data to guide further data acquisition.

  7. Pneumatically actuated microvalve circuits for programmable automation of chemical and biochemical analysis.

    PubMed

    Kim, Jungkyu; Stockton, Amanda M; Jensen, Erik C; Mathies, Richard A

    2016-03-07

    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.

  8. 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.

  9. Chemical abundance analysis of π Dra and HR 7545

    NASA Astrophysics Data System (ADS)

    Elmaslı, Aslı; Nasolo, Yahya

    2017-02-01

    We carried out detailed abundance analysis of two A-type stars; π Dra and HR 7545. High resolution echelle spectra of these stars were obtained at the TÜBİTAK National Observatory. We determined the fundamental parameters of each target star using traditional methods. We also plotted the stars on the H-R diagram and calculated the masses from evolutionary tracks and ages from isochrones.

  10. Clean Air Act Settlement Reduces Air Emissions and Improves Chemical Safety at Rhode Island Biodiesel Plant

    EPA Pesticide Factsheets

    The U.S. EPA & U.S. Department of Justice have settled an environmental enforcement case with Newport Biodiesel, Inc., resulting in reduced air emissions and improved safety controls at the company’s biodiesel manufacturing plant in Newport, Rhode Island.

  11. 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.

  12. Prevention of optics and resist contamination in 300-mm lithography: improvements in chemical air filtration

    NASA Astrophysics Data System (ADS)

    Kinkead, Devon A.; Grayfer, Anatoly; Kishkovich, Oleg P.

    2001-08-01

    Atmospheric pressure deep UV lithography using fast chemically amplified photoresists will be the mainstay of semiconductor production into the foreseeable future. Airborne molecular contamination (AMC) in the form of bases and condensable organic and inorganic materials however, threaten both sensitive optics and modern resists thereby creating a host of yield limiting contamination issues. Past work by Kunz at MIT has described photo-induced organic contamination of lithographic optics as a significant concern in leading-edge lithography. Moreover, Kinkead and Ercken, and Kishkovich and Dean have published work on the impact of base contamination on CD uniformity in modern photoresists. Herein, the authors discuss solutions to control both optics and resist contamination in a single compact filter system for advanced lithography. The results of this work suggest that resist and optics contamination can be controlled as we enter the era of low K1 factor <150nm/300mm-device production.

  13. Mechanism of highly improved electrical properties in polypropylene by chemical modification of grafting maleic anhydride

    NASA Astrophysics Data System (ADS)

    Zhou, Yao; Hu, Jun; Dang, Bin; He, Jinliang

    2016-10-01

    This paper reports excellent electrical properties in polypropylene grafted with maleic anhydride (PP-g-MAH) and a related mechanism of the enhanced electrical properties. The chemical structure of PP-g-MAH was analyzed and its effect on space charge accumulation, electrical breakdown strength and DC conductivity was studied. Compared with pure PP, the PP-g-MAH exhibits remarkably suppressed space charge accumulation, enhanced electrical breakdown strength and reduced conduction current. The mechanism enhancing the electrical properties was studied by measuring the trap level distribution. It can be explained that abundant deep traps are introduced in PP-g-MAH with the introduction of polar groups in MAH, which reduces the charge mobility and raises the charge injection barrier so as to suppress space charge accumulation. This investigation would contribute to propose a new material modification strategy for designing high-voltage direct current insulation material in addition to the inclusion of nanoparticles.

  14. 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.

  15. 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.

  16. An improvement of LLNA:DA to assess the skin sensitization potential of chemicals.

    PubMed

    Zhang, Hongwei; Shi, Ying; Wang, Chao; Zhao, Kangfeng; Zhang, Shaoping; Wei, Lan; Dong, Li; Gu, Wen; Xu, Yongjun; Ruan, Hongjie; Zhi, Hong; Yang, Xiaoyan

    2017-01-01

    We developed a modified local lymph node assay based on ATP (LLNA:DA), termed the Two-Stage LLNA:DA, to further reduce the animal numbers in the identification of sensitizers. In the Two-Stage LLNA:DA procedure, 13 chemicals ranging from non-sensitizers to extreme sensitizers were selected. The first stage used reduced LLNA:DA (rLLNA:DA) to screen out sensitive chemicals. The second stage used LLNA:DA based on OECD 442 (A) to classify those potential sensitizers screened out in the first stage. In the first stage, the SIs of the methyl methacrylate, salicylic acid, methyl salicylate, ethyl salicylate, isopropanol and propanediol were below 1.8 and need not to be tested in the second step. Others continued to be tested by LLNA:DA. In the second stage, sodium lauryl sulphate and xylene were classified as weak sensitizers. a-hexyl cinnamic aldehyde and eugenol were moderate sensitizers. Benzalkonium chloride and glyoxal were strong sensitizers, and phthalic anhydride was an extreme sensitizer. The 9/9, 11/12, 10/11, and 8/13 (positive or negative only) categories of the Two-Stage LLNA:DA were consistent with those from the other methods (LLNA, LLNA:DA, GPMT/BT and HMT/HPTA), suggesting that Two-Stage LLNA:DA have a high coincidence rate with reported data. In conclusion, The Two-Stage LLNA:DA is in line with the "3R" rules, and can be a modification of LLNA:DA but needs more study.

  17. 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/.

  18. Evaluation of Chemical Abstracts(4) - Analysis of Technical Reports Collection -

    NASA Astrophysics Data System (ADS)

    Tan, Nobumasa

    It has been long time since various data bases appeared. Amid so-called information flood data bases have played a role in improving performances of industrial activities or social life by providing appropriate information at right time from them. Particularly CA Search is indispensable and important to persons who are engaged in R & D in chemistry and the related fields. For the purpose of advancing on-line searching efficiency by clarifying the scope and coverage by document type the author analyzed the information covered in CA, which results were reported in the series of articles "Evaluation of CA". In this article the author analyzed the coverage of technical reports and compared the result with NTIS file.

  19. 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.

  20. Improved singular spectrum analysis for time series with missing data

    NASA Astrophysics Data System (ADS)

    Shen, Y.; Peng, F.; Li, B.

    2015-07-01

    Singular spectrum analysis (SSA) is a powerful technique for time series analysis. Based on the property that the original time series can be reproduced from its principal components, this contribution develops an improved SSA (ISSA) for processing the incomplete time series and the modified SSA (SSAM) of Schoellhamer (2001) is its special case. The approach is evaluated with the synthetic and real incomplete time series data of suspended-sediment concentration from San Francisco Bay. The result from the synthetic time series with missing data shows that the relative errors of the principal components reconstructed by ISSA are much smaller than those reconstructed by SSAM. Moreover, when the percentage of the missing data over the whole time series reaches 60 %, the improvements of relative errors are up to 19.64, 41.34, 23.27 and 50.30 % for the first four principal components, respectively. Both the mean absolute error and mean root mean squared error of the reconstructed time series by ISSA are also smaller than those by SSAM. The respective improvements are 34.45 and 33.91 % when the missing data accounts for 60 %. The results from real incomplete time series also show that the standard deviation (SD) derived by ISSA is 12.27 mg L-1, smaller than the 13.48 mg L-1 derived by SSAM.

  1. Improved singular spectrum analysis for time series with missing data

    NASA Astrophysics Data System (ADS)

    Shen, Y.; Peng, F.; Li, B.

    2014-12-01

    Singular spectrum analysis (SSA) is a powerful technique for time series analysis. Based on the property that the original time series can be reproduced from its principal components, this contribution will develop an improved SSA (ISSA) for processing the incomplete time series and the modified SSA (SSAM) of Schoellhamer (2001) is its special case. The approach was evaluated with the synthetic and real incomplete time series data of suspended-sediment concentration from San Francisco Bay. The result from the synthetic time series with missing data shows that the relative errors of the principal components reconstructed by ISSA are much smaller than those reconstructed by SSAM. Moreover, when the percentage of the missing data over the whole time series reaches 60%, the improvements of relative errors are up to 19.64, 41.34, 23.27 and 50.30% for the first four principal components, respectively. Besides, both the mean absolute errors and mean root mean squared errors of the reconstructed time series by ISSA are also much smaller than those by SSAM. The respective improvements are 34.45 and 33.91% when the missing data accounts for 60%. The results from real incomplete time series also show that the SD derived by ISSA is 12.27 mg L-1, smaller than 13.48 mg L-1 derived by SSAM.

  2. 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.

  3. 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.

  4. Hydrogen determination in chemically delithiated lithium ion battery cathodes by prompt gamma activation analysis

    NASA Astrophysics Data System (ADS)

    Alvarez, Emilio, II

    2007-12-01

    Lithium ion batteries, due to their relatively high energy density, are now widely used as the power source for portable electronics. Commercial lithium ion cells currently employ layered LiCoO2 as a cathode but only 50% of its theoretical capacity can be utilized. The factors that cause the limitation are not fully established in the literature. With this perspective, prompt gamma-ray activation analysis (PGAA) has been employed to determine the hydrogen content in various oxide cathodes that have undergone chemical extraction of lithium (delithiation). The PGAA data is complemented by data obtained from atomic absorption spectroscopy (AAS), redox titration, thermogravimetric analysis (TGA), and mass spectroscopy to better understand the capacity limitations and failure mechanisms of lithium ion battery cathodes. As part of this work, the PGAA facility has been redesigned and reconstructed. The neutron and gamma-ray backgrounds have been reduced by more than an order of magnitude. Detection limits for elements have also been improved. Special attention was given to the experimental setup including potential sources of error and system calibration for the detection of hydrogen. Spectral interference with hydrogen arising from cobalt was identified and corrected for. Limits of detection as a function of cobalt mass present in a given sample are also discussed. The data indicates that while delithiated layered Li1- xCoO2, Li1-xNi 1/3Mn1/3Co1/3O2, and Li1- xNi0.5Mn0.5O2 take significant amounts of hydrogen into the lattice during deep extraction, orthorhombic Li 1-xMnO2, spinel Li1- xMn2O4, and olivine Li1- xFePO4 do not. Layered LiCoO2, LiNi 0.5Mn0.5O2, and LiNi1/3Mn1/3Co 1/3O2 have been further analyzed to assess their relative chemical instabilities while undergoing stepped chemical delithiation. Each system takes increasing amounts of protons at lower lithium contents. The differences are attributed to the relative chemical instabilities of the various cathodes

  5. Quantitative chemical imaging and unsupervised analysis using hyperspectral coherent anti-Stokes Raman scattering microscopy.

    PubMed

    Masia, Francesco; Glen, Adam; Stephens, Phil; Borri, Paola; Langbein, Wolfgang

    2013-11-19

    In this work, we report a method to acquire and analyze hyperspectral coherent anti-Stokes Raman scattering (CARS) microscopy images of organic materials and biological samples resulting in an unbiased quantitative chemical analysis. The method employs singular value decomposition on the square root of the CARS intensity, providing an automatic determination of the components above noise, which are retained. Complex CARS susceptibility spectra, which are linear in the chemical composition, are retrieved from the CARS intensity spectra using the causality of the susceptibility by two methods, and their performance is evaluated by comparison with Raman spectra. We use non-negative matrix factorization applied to the imaginary part and the nonresonant real part of the susceptibility with an additional concentration constraint to obtain absolute susceptibility spectra of independently varying chemical components and their absolute concentration. We demonstrate the ability of the method to provide quantitative chemical analysis on known lipid mixtures. We then show the relevance of the method by imaging lipid-rich stem-cell-derived mouse adipocytes as well as differentiated embryonic stem cells with a low density of lipids. We retrieve and visualize the most significant chemical components with spectra given by water, lipid, and proteins segmenting the image into the cell surrounding, lipid droplets, cytosol, and the nucleus, and we reveal the chemical structure of the cells, with details visualized by the projection of the chemical contrast into a few relevant channels.

  6. 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.

  7. Chemical analysis of simulated high level waste glasses to support stage III sulfate solubility modeling

    SciTech Connect

    Fox, K. M.

    2016-03-17

    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 within the DOE complex. These wastes can contain relatively high concentrations of sulfate, which has low solubility in borosilicate glass. This is a significant issue for low-activity waste (LAW) glass and is projected to have a major impact on the Hanford Tank Waste Treatment and Immobilization Plant (WTP). Sulfate solubility has also been a limiting factor for recent high level waste (HLW) sludge processed at the Savannah River Site (SRS) Defense Waste Processing Facility (DWPF). The low solubility of sulfate in glass, along with melter and off-gas corrosion constraints, dictate that the waste be blended with lower sulfate concentration waste sources or washed to remove sulfate prior to vitrification. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerate mission completion.The objective of the current scope being pursued by SHU is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DWPF and WTP, allowing for enhanced waste loadings and waste throughput at these facilities. A series of targeted glass compositions was selected to resolve data gaps in the model and is identified as Stage III. SHU fabricated these glasses and sent samples to 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 the Stage III, simulated HLW glasses fabricated by SHU in support of the sulfate solubility model development.

  8. 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.

  9. 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

    2015-10-05

    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.

  10. The Mars Chemical Analysis Laboratory (MCAL) for in-situ analysis of martian aqueous geochemistry

    NASA Astrophysics Data System (ADS)

    Kounaves, S. P.; Bauer, J.; McElhoney, K. M.

    2013-09-01

    The 2007 Phoenix Mars Lander [1] included four Wet Chemistry Laboratory (WCL) units [2] for performing the first wet chemical analysis of soil on another planet. Each WCL (Figure 1) consisted of electrochemical sensors for analyzing the aqueous geochemical properties of the soil. These included sensors for Ca2+, Mg2+, K+, Na+, NH4 +, Cl-, Br-, I-, NO3 -, pH, and SO4 =; electrodes for measuring electrical conductivity; determining redox potential (Eh), for independent determination of halides, and for identifying redox couples. Three ~1 cm3 soil samples were successfully added to 25mL of water and analyzed. The soil/water mixture had a pH of 7.7(±0.3), conductivity of 1.4(±0.5) mS/cm, with [Ca2+] = 0.5(±0.5) mM, [Mg2+] = 2.9(±1.5) mM, [Na+] = 1.4(±0.6) mM, soluble sulfate SO4 2- = 5.9 (±1.5) mM, [K+] = 0.36(±0.3) mM, and an Eh of 253 (±6) mV. The most unexpected finding was perchlorate (ClO4-), with an average concentration 2.5 (±1) mM [3-6]. Here we describe a heritage-based next generation Mars wet chemistry laboratory for an upcoming mission that, in addition to analyses performed by the Phoenix lander WCL [2-6], extends the capability to several dozen or more soil samples without increasing the demand on spacecraft resources, and extends the quantitative chemical aspects of the analyses to provide for better understanding of the aqueous geochemistry and toxicity of the martian soil.

  11. Improved resistance of chemically-modified nanocellulose against thermally-induced depolymerization.

    PubMed

    Agustin, Melissa B; Nakatsubo, Fumiaki; Yano, Hiroyuki

    2017-05-15

    The study demonstrated the improvement in the resistance of nanocellulose against thermally-induced depolymerization by esterification with benzoyl (BNZ) and pivaloyl (PIV). The change in the degree of polymerization (DP) and molecular weight distribution (MWD) after thermal treatment in nitrogen and in air was investigated using viscometry and gel permeation chromatography. BNZ and PIV nanocellulose esters without α-hydrogens gave higher DP and narrower MWD than pure bacterial cellulose; and the acetyl and myristoyl esters, which possess α-hydrogens. Results also showed that when depolymerization is suppressed, thermal discoloration is also reduced. Resistance against depolymerization inhibits the formation of reducing ends which can be active sites for thermal discoloration. Finally, the findings suggest that benzoylation and pivaloylation can be an excellent modification technique to improve the thermal stability of nanocellulose.

  12. The challenge of predicting problematic chemicals using a decision analysis tool: Triclosan as a case study.

    PubMed

    Perez, Angela L; Gauthier, Alison M; Ferracini, Tyler; Cowan, Dallas M; Kingsbury, Tony; Panko, Julie

    2017-01-01

    Manufacturers lack a reliable means for determining whether a chemical will be targeted for deselection from their supply chain. In this analysis, 3 methods for determining whether a specific chemical (triclosan) would meet the criteria necessary for being targeted for deselection are presented. The methods included a list-based approach, use of a commercially available chemical assessment software tool run in 2 modes, and a public interest evaluation. Our results indicated that triclosan was included on only 6 of the lists reviewed, none of which were particularly influential in chemical selection decisions. The results from the chemical assessment tool evaluations indicated that human and ecological toxicity for triclosan is low and received scores indicating that the chemical would be considered of low concern. However, triclosan's peak public interest tracked several years in advance of increased regulatory scrutiny of this chemical suggesting that public pressure may have been influential in deselection decisions. Key data gaps and toxicity endpoints not yet regulated such as endocrine disruption potential or phototoxicity, but that are important to estimate the trajectory for deselection of a chemical, are discussed. Integr Environ Assess Manag 2017;13:198-207. © 2016 SETAC.

  13. A chemical analog of curcumin as an improved inhibitor of amyloid Abeta oligomerization.

    PubMed

    Orlando, Robert A; Gonzales, Amanda M; Royer, Robert E; Deck, Lorraine M; Vander Jagt, David L

    2012-01-01

    Amyloid-like plaques are characteristic lesions defining the neuropathology of Alzheimer's disease (AD). The size and density of these plaques are closely associated with cognitive decline. To combat this disease, the few therapies that are available rely on drugs that increase neurotransmission; however, this approach has had limited success as it has simply slowed an imminent decline and failed to target the root cause of AD. Amyloid-like deposits result from aggregation of the Aβ peptide, and thus, reducing amyloid burden by preventing Aβ aggregation represents an attractive approach to improve the therapeutic arsenal for AD. Recent studies have shown that the natural product curcumin is capable of crossing the blood-brain barrier in the CNS in sufficient quantities so as to reduce amyloid plaque burden. Based upon this bioactivity, we hypothesized that curcumin presents molecular features that make it an excellent lead compound for the development of more effective inhibitors of Aβ aggregation. To explore this hypothesis, we screened a library of curcumin analogs and identified structural features that contribute to the anti-oligomerization activity of curcumin and its analogs. First, at least one enone group in the spacer between aryl rings is necessary for measureable anti-Aβ aggregation activity. Second, an unsaturated carbon spacer between aryl rings is essential for inhibitory activity, as none of the saturated carbon spacers showed any margin of improvement over that of native curcumin. Third, methoxyl and hydroxyl substitutions in the meta- and para-positions on the aryl rings appear necessary for some measure of improved inhibitory activity. The best lead inhibitors have either their meta- and para-substituted methoxyl and hydroxyl groups reversed from that of curcumin or methoxyl or hydroxyl groups placed in both positions. The simple substitution of the para-hydroxy group on curcumin with a methoxy substitution improved inhibitor function by 6

  14. Modified paraffin wax for improvement of histological analysis efficiency.

    PubMed

    Lim, Jin Ik; Lim, Kook-Jin; Choi, Jin-Young; Lee, Yong-Keun

    2010-08-01

    Paraffin wax is usually used as an embedding medium for histological analysis of natural tissue. However, it is not easy to obtain enough numbers of satisfactory sectioned slices because of the difference in mechanical properties between the paraffin and embedded tissue. We describe a modified paraffin wax that can improve the histological analysis efficiency of natural tissue, composed of paraffin and ethylene vinyl acetate (EVA) resin (0, 3, 5, and 10 wt %). Softening temperature of the paraffin/EVA media was similar to that of paraffin (50-60 degrees C). The paraffin/EVA media dissolved completely in xylene after 30 min at 50 degrees C. Physical properties such as the amount of load under the same compressive displacement, elastic recovery, and crystal intensity increased with increased EVA content. EVA medium (5 wt %) was regarded as an optimal composition, based on the sectioning efficiency measured by the numbers of unimpaired sectioned slices, amount of load under the same compressive displacement, and elastic recovery test. Based on the staining test of sectioned slices embedded in a 5 wt % EVA medium by hematoxylin and eosin (H&E), Masson trichrome (MT), and other staining tests, it was concluded that the modified paraffin wax can improve the histological analysis efficiency with various natural tissues.

  15. 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.

  16. Performance improvement in polymeric thin film transistors using chemically modified both silver bottom contacts and dielectric surfaces

    NASA Astrophysics Data System (ADS)

    Xie, Ying-Tao; Ouyang, Shi-Hong; Wang, Dong-Ping; Zhu, Da-Long; Xu, Xin; Tan, Te; Fong, Hon-Hang

    2015-09-01

    An efficient interface modification is introduced to improve the performance of polymeric thin film transistors. This efficient interface modification is first achieved by 4-fluorothiophenol (4-FTP) self-assembled monolayers (SAM) to chemically treat the silver source-drain (S/D) contacts while the silicon oxide (SiO2) dielectric interface is further primed by either hexamethyldisilazane (HMDS) or octyltrichlorosilane (OTS-C8). Results show that contact resistance is the dominant factor that limits the field effect mobility of the PTDPPTFT4 transistors. With proper surface modification applied to both the dielectric surface and the bottom contacts, the field effect mobilities of the bottom-gate bottom-contact PTDPPTFT4 transistors were significantly improved from 0.15 cm2·V-1·s-1 to 0.91 cm2·V-1·s-1. Project supported by the National Basic Research Program of China (Grant No. 2013CB328803).

  17. Improved cryopreservation of domestic cat sperm in a chemically defined medium.

    PubMed

    Vick, M M; Bateman, H L; Lambo, C A; Swanson, W F

    2012-12-01

    The objective was to compare a proprietary egg yolk-based cryopreservation medium with a chemically defined soy-based medium, as well as to examine effects of temperature of glycerol addition on sperm parameters and IVF after freezing and thawing of domestic cat sperm. Semen was collected from adult cats (four males and three ejaculates per male), divided in four equal aliquots, and extended in either egg yolk with 4% glycerol added before (EYG) or after (EY) cooling to 5 °C, or soy-lecithin with 4% glycerol added before (SLG) or after (SL) cooling to 5 °C. Extended sperm were frozen in straws over liquid nitrogen vapor. Sperm progressive motility (%) and rate of progressive movement (scale of 0-5) were evaluated at 0, 1, 3, 6, and 24 h post-thaw. Sperm capacitation, acrosome integrity, and DNA integrity were assessed at 15 min post-thaw. Effects of media (EY or SL) on IVF success was also examined (three males and three ejaculates per male). Sperm motility was greater (P < 0.05) in soy-based compared with egg yolk-based media at 3, 6, and 24 h post-thaw. A higher (P < 0.05) percentage of noncapacitated sperm (pattern F) were present in soy-based (SLG, 63.7 ± 9.2%; and SL, 64.1 ± 9.2%) compared with egg yolk-based (EYG, 49.9 ± 7.9%; and EY, 52.4 ± 18.6%) cryopreservation media, regardless of temperature of glycerol addition. Addition of glycerol at 5 °C increased (P < 0.05) percentage of sperm motility at 6 h (EYG 16.3 ± 8.3% vs. EY, 24.0 ± 11.7%; SLG, 36.7 ± 6.5% vs. SL, 42.9 ± 10.1%) and 24 h (EYG, 2.1 ± 3.3% vs. EY, 8.3 ± 3.9%; SLG, 11.3 ± 8.3% vs. SL, 18.8 ± 7.4%) post-thaw in both media. There were no differences (P > 0.05) between cryodiluents in embryo cleavage, percentage of embryos reaching blastocyst, or cell number per blastocyst. The chemically defined, soy-based medium resulted in better preservation of long-term motility and capacitation status of frozen-thawed domestic cat sperm compared with a commercial egg yolk-based extender

  18. 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.

  19. 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.

  20. 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.

  1. Chemical Analysis of the Interface in Bulk-Heterojunction Solar Cells by X-ray Photoelectron Spectroscopy Depth Profiling.

    PubMed

    Busby, Yan; List-Kratochvil, Emil J W; Pireaux, Jean-Jacques

    2017-02-01

    Despite the wide use of blends combining an organic p-type polymer and molecular fullerene-based electron acceptor, the proper characterization of such bulk heterojunction materials is still challenging. To highlight structure-to-function relations and improve the device performance, advanced tools and strategies need to be developed to characterize composition and interfaces with sufficient accuracy. In this work, high-resolution X-ray photoelectron spectroscopy (XPS) is combined with very low energy argon ion beam sputtering to perform a nondestructive depth profile chemical analysis on full Al/P3HT:PCBM/PEDOT:PSS/ITO (P3HT, poly(3-hexylthiophene); PCBM, [6,6]-phenyl-C61-butyric acid methyl ester; PEDOT, poly(3,4-ethylenedioxythiophene; PSS, polystyrenesulfonate; ITO, indium tin oxide) bulk-heterojunction solar cell device stacks. Key information, such as P3HT and PCBM composition profiles and Al-PCBM chemical bonding, are deduced in this basic device structure. The interface chemical analysis allows us to evidence, with unprecedented accuracy, the inhomogeneous distribution of PCBM, characterized by a strong segregation toward the top metal electrode. The chemical analysis high-resolution spectra allows us to reconstruct P3HT/PCBM ratio through the active layer depth and correlate with the device deposition protocol and performance. Results evidence an inhomogeneous P3HT/PCBM ratio and poorly controllable PCBM migration, which possibly explains the limited light-to-power conversion efficiency in this basic device structure. The work illustrates the high potential of XPS depth profile analysis for studying such organic/inorganic device stacks.

  2. 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

  3. Improving Navy Recruit Confidence Expectancies and Knowledge in a Simulated Chemical Warfare Environment

    DTIC Science & Technology

    1988-06-27

    Regression/Correlation Analysis for the Behavioral Sciences (2nd ed.). Hillsdale, NJ: Earlbaum. Coleman, J. C. (1976). Abnormal Psychology and Modern life...Code 222 ATTN: Dr. Stan Collyer 800 North Quincy Street Arlington, VA 22217-5000 Commanding Officer SWOSCOLCOM Bldc 446 NTEC ATTN: CDR J. Flood

  4. Improving the resistance of a eukaryotic β-barrel protein to thermal and chemical perturbations.

    PubMed

    Gessmann, Dennis; Mager, Frauke; Naveed, Hammad; Arnold, Thomas; Weirich, Sara; Linke, Dirk; Liang, Jie; Nussberger, Stephan

    2011-10-14

    β-Barrel membrane proteins have regular structures with extensive hydrogen-bond networks between their transmembrane (TM) β-strands, which stabilize their protein fold. Nevertheless, weakly stable TM regions, which are important for the protein function and interaction with other proteins, exist. Here, we report on the apparent stability of human Tom40A, a member of the "mitochondrial porin family" and main constituent of the mitochondrial protein-conducting channel TOM (translocase of the outer membrane). Using a physical interaction model, TmSIP, for β-barrel membrane proteins, we have identified three unfavorable β-strands in the TM domain of the protein. Substitution of key residues inside these strands with hydrophobic amino acids results in a decreased sensitivity of the protein to chemical and/or thermal denaturation. The apparent melting temperature observed when denatured at a rate of 1 °C per minute is shifted from 73 to 84 °C. Moreover, the sensitivity of the protein to denaturant agents is significantly lowered. Further, we find a reduced tendency for the mutated protein to form dimers. We propose that the identified weakly stable β-strands 1, 2 and 9 of human Tom40A play an important role in quaternary protein-protein interactions within the mammalian TOM machinery. Our results show that the use of empirical energy functions to model the apparent stability of β-barrel membrane proteins may be a useful tool in the field of nanopore bioengineering.

  5. Improving the Resistance of a Eukaryotic β-Barrel Protein to Thermal and Chemical Perturbation

    PubMed Central

    Gessmann, Dennis; Mager, Frauke; Naveed, Hammad; Arnold, Thomas; Weirich, Sara; Linke, Dirk; Liang, Jie; Nussberger, Stephan

    2013-01-01

    Beta-barrel membrane proteins have regular structures with extensive hydrogen bonding networks between their transmembrane (TM) β-strands, which stabilize their protein fold. Nevertheless, weakly stable TM regions exist, which are important for the protein function and interaction with other proteins. Here, we report on the apparent stability of human Tom40A, a member of the ‘mitochondrial porin family’ and main constituent of the mitochondrial protein-conducting channel TOM. Using a physical interaction model TmSIP for β-barrel membrane proteins, we have identified three β-strands unfavorable in the TM domain of the protein. Substitution of key residues inside these strands with hydrophobic amino acids results in a decreased sensitivity of the protein to chemical and/or thermal denaturation. The apparent melting temperature observed when denatured at a rate of one degree per minute, is shifted from 73 to 84 °C. Moreover, the sensitivity of the protein to denaturant agents is significantly lowered. Further, we find a reduced tendency for the mutated protein to form dimers. We propose that the identified weakly stable β-strands 1, 2 and 9 of human Tom40A play an important role in quaternary protein-protein interactions within the mammalian TOM machinery. Our results show that the use of empirical energy functions to model the apparent stability of β-barrel membrane proteins may be a useful tool in the field of nanopore bioengineering. PMID:21835183

  6. Improved efficiency of the chemical bath deposition method during growth of ZnO thin films

    SciTech Connect

    Ortega-Lopez, Mauricio; Avila-Garcia, Alejandro; Albor-Aguilera, M.L.; Resendiz, V.M. Sanchez

    2003-06-19

    Chemical bath deposition (CBD) is an inexpensive and low temperature method (25-90 deg. C) that allows to deposit large area semiconductor thin films. However, the extent of the desired heterogeneous reaction upon the substrate surface is limited first by the competing homogeneous reaction, which is responsible for colloidal particles formation in the bulk solution, and second, by the material deposition on the CBD reactor walls. Therefore, the CBD method exhibits low efficiency in terms of profiting the whole amount of starting materials. The present work describes a procedure to deposit ZnO thin films by CBD in an efficient way, since it offers the possibility to minimize both the undesirable homogeneous reaction in the bulk solution and the material deposition on the CBD reactor walls. In a first stage, zinc peroxide (ZnO{sub 2}) crystallizing with cubic structure is obtained. This compound shows a good average transparency (90%) and an optical bandgap of 4.2 eV. After an annealing process, the ZnO{sub 2} suffers a transformation toward polycrystalline ZnO with hexagonal structure and 3.25 eV of optical bandgap. The surface morphology of the films, analyzed by atomic force microscope (AFM), reveals three-dimensional growth features as well as no colloidal particles upon the surface, therefore indicating the predominance of the heterogeneous reaction during the growth.

  7. Development of improved nanosilver-based antibacterial textiles via synthesis of versatile chemically modified cotton fabrics.

    PubMed

    Hebeish, A; El-Shafei, A; Sharaf, S; Zaghloul, S

    2014-11-26

    Cationization of cotton fabric form was effected by reacting the cellulose with 3-chloro-2 hydroxypropyl trimethyl ammonium chloride in presence of sodium hydroxide as per the pad dry cure method. Thus obtained cationized cotton cellulose was reacted with a reactive copolymer, namely, reactive β-cyclodextrin grafted with polyacrylic acid (MCT-βCD-g-PAA).Bridging of another copolymer, namely, β-cyclodextrin grafted with polyacrylic acid (βCD-g-PAA) to the cationized fabric using epichlorohydrin crosslinker was also performed. Inclusion of Ag nanoparticles in these three cotton substrates via treatment of the latter with colloid of Ag nanoparticles or through in situ formation of the former was exercised. Characterization of cotton fabric before and after being chemically modified was carried out using FTIR, XRD and SEM. Bacterial examination of the cationized cotton containing either (MCT-βCD-g-PAA) or (βCD-g-PAA) incorporated with Ag nanoparticles showed these substrates function against G+ve and G-ve bacteria. Ability of (MCT-βCD-g-PAA) modified cotton to include hydrophobic molecules was examined.

  8. 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

  9. 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.

  10. An improved convergence analysis of smoothed aggregation algebraic multigrid

    SciTech Connect

    Brezina, Marian; Vaněk, Petr; Vassilevski, Panayot S.

    2011-03-02

    We present an improved analysis of the smoothed aggregation (SA) alge- braic multigrid method (AMG) extending the original proof in [SA] and its modification in [Va08]. The new result imposes fewer restrictions on the aggregates that makes it eas- ier to verify in practice. Also, we extend a result in [Van] that allows us to use aggressive coarsening at all levels due to the special properties of the polynomial smoother, that we use and analyze, and thus provide a multilevel convergence estimate with bounds independent of the coarsening ratio.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  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. Combined chemical and structural signals of biomaterials synergistically activate cell-cell communications for improving tissue regeneration.

    PubMed

    Xu, Yachen; Peng, Jinliang; Dong, Xin; Xu, Yuhong; Li, Haiyan; Chang, Jiang

    2017-04-02

    Biomaterials are only used as carriers of cells in the conventional tissue engineering. Considering the multi-cell environment and active cell-biomaterial interactions in tissue regeneration process, in this study, structural signals of aligned electrospun nanofibers and chemical signals of bioglass (BG) ionic products in cell culture medium are simultaneously applied to activate fibroblast-endothelial co-cultured cells in order to obtain an improved skin tissue engineering construct. Results demonstrate that the combined biomaterial signals synergistically activate fibroblast-endothelial co-culture skin tissue engineering constructs through promotion of paracrine effects and stimulation of gap junctional communication between cells, which results in enhanced vascularization and extracellular matrix protein synthesis in the constructs. Structural signals of aligned electrospun nanofibers play an important role in stimulating both of paracrine and gap junctional communication while chemical signals of BG ionic products mainly enhance paracrine effects. In vivo experiments reveal that the activated skin tissue engineering constructs significantly enhance wound healing as compared to control. This study indicates the advantages of synergistic effects between different bioactive signals of biomaterials can be taken to activate communication between different types of cells for obtaining tissue engineering constructs with improved functions.

  17. 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

    2015-03-03

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

  18. 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.

  19. 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.

  20. LDEX-PLUS: Lunar Dust Experiment with Chemical Analysis Capability to search for Water

    NASA Astrophysics Data System (ADS)

    Horanyi, M.; Sternovsky, Z.; Gruen, E.; Kempf, S.; Srama, R.; Postberg, F.

    2010-12-01

    The Lunar Dust Experiment (LDEX) onboard the Lunar Atmosphee and Dust Explorer Mission (LADEE) is scheduled for launch in early 2013. It will map the variability of the density and size distributions of dust in the lunar vicinity. LDEX is an impact ionization instrument, at an impact speed of > 1.6 km/s, it is capable of measuring the mass of grains with m > 10^(-11) g, and it can also identify a population of smaller grains with m > 10^(-14) kg with a density of n > 10^(-4) cm^(-3). This talk is to introduce the LDEX-PLUS instrument that extends the LDEX capabilities to also measure the chemical composition of the impacting particles with a mass resolution of M/ΔM > 30. We will summarize the science goals, measurement requirements, and the resource needs of this instrument. Traditional methods to analyze surfaces of airless planetary objects from an orbiter are IR and gamma ray spectroscopy, and neutron backscatter measurements. Here we present a complementary method to analyze dust particles as samples of planetary objects from which they were released. The Moon, Mercury, and all other airless planetary object are exposed to the ambient meteoroid bombardment that erodes their surface and generates secondary ejecta particles. Therefore, such objects are enshrouded in clouds of dust particles that have been lifted from their surfaces. In situ mass spectroscopic analysis of these dust particles impacting onto a detector of an orbiting spacecraft reveals their composition, and the origin of each analyzed grain can be determined with an accuracy at the surface that is approximately the altitude of the orbit. Since the detection rates can be on the order of thousands per day, a spatially resolved mapping of the surface composition can be achieved. Possible enhancements include the addition of a dust trajectory sensor to improve the spatial resolution on the surface to ~ 10 km from an altitude of 100 km, and a reflectron type instrument geometry to increase the