WorldWideScience

Sample records for volatiles transport chemical

  1. Transport and Fate of Volatile Organic Chemical in Soils

    DEFF Research Database (Denmark)

    Petersen, Lis Wollesen

    Recently much attention has been paid to the behavior of volatile organic chemicals (VOCs) in the environment. This is due to the fact that the environmental pollution with these hazardous chemicals has drastically increased during the last decades. The present study is limited to consider...... the transport and fate of VOCs in the gaseous phase, thus contributing to the overall understanding of VOCs behavior in soil, which eventually will facilitate future cleanup....

  2. Pluto's Volatile Transport

    Science.gov (United States)

    Young, Leslie

    2012-10-01

    Pluto's varying subsolar latitude and heliocentric distance leads to large variations in the surface volatile distribution and surface pressure. I present results of new volatile transport models (Young 2012a, b). The models include insolation, thermal emission, subsurface conduction, heating of a volatile slab, internal heat flux, latent heat of sublimation, and strict global mass balance. Numeric advances include initial conditions that allow for rapid convergence, efficient computation with matrix arithmetic, and stable Crank-Nicholson timesteps for both bare and volatile-covered areas. Runs of the model show six distinct seasons on Pluto. (1) As Pluto approaches perihelion, the volatiles on the old winter pole (the Rotational North Pole, RNP) becomes more directly illuminated , and the pressure and albedo rise rapidly. (2) When a new ice cap forms on the Rotational South Pole, RSP, volatiles are exchanged between poles. The pressure and albedo change more slowly. (3) When all volatiles have sublimed from the RNP, the albedo and pressure drop rapidly. (4-6) A similar pattern is repeated near aphelion with a reversal of the roles and the poles. I will compare results with earlier Pluto models of Hansen and Paige (1996), show the dependence on parameters such as substrate inertia, and make predictions for the New Horizons flyby of Pluto in 2015. This work was supported, in part, by funding from NASA Planetary Atmospheres Grant NNG06GF32G and the Spitzer project (JPL research support Agreement 1368573). Hansen, C. J. and D. A. Paige 1996. Seasonal Nitrogen Cycles on Pluto. Icarus 120, 247-265. Young, L. A. 2012a. Volatile transport on inhomogeneous surfaces: I - Analytic expressions, with application to Pluto’s day. Icarus, in press Young, L. A. 2012b. Volatile transport on inhomogeneous surfaces: II. Numerical calculations, with application to Pluto's season. In preparation.

  3. Can clouds enhance long-range transport of low volatile, ionizable and surface-active chemicals?

    DEFF Research Database (Denmark)

    Franco, Antonio; Trapp, Stefan

    2011-01-01

    Atmospheric partitioning and transport of low volatile organic compounds is strongly influenced by the presence of water (e.g. clouds) and its deposition velocity (e.g. rainfall, snow). It was identified that the assumption of continuous rainfall underestimates the residence time and the transport....... The longer residence time predicted for some compounds in the LMT is due to the capacity of clouds to sorb non-volatile molecules in the liquid water and at the interface of cloud droplets. The efficiency of wet deposition to remove low volatile organic pollutants from the atmosphere is limited primarily...

  4. Volatile chemical products emerging as largest petrochemical source of urban organic emissions

    Science.gov (United States)

    McDonald, Brian C.; de Gouw, Joost A.; Gilman, Jessica B.; Jathar, Shantanu H.; Akherati, Ali; Cappa, Christopher D.; Jimenez, Jose L.; Lee-Taylor, Julia; Hayes, Patrick L.; McKeen, Stuart A.; Cui, Yu Yan; Kim, Si-Wan; Gentner, Drew R.; Isaacman-VanWertz, Gabriel; Goldstein, Allen H.; Harley, Robert A.; Frost, Gregory J.; Roberts, James M.; Ryerson, Thomas B.; Trainer, Michael

    2018-02-01

    A gap in emission inventories of urban volatile organic compound (VOC) sources, which contribute to regional ozone and aerosol burdens, has increased as transportation emissions in the United States and Europe have declined rapidly. A detailed mass balance demonstrates that the use of volatile chemical products (VCPs)—including pesticides, coatings, printing inks, adhesives, cleaning agents, and personal care products—now constitutes half of fossil fuel VOC emissions in industrialized cities. The high fraction of VCP emissions is consistent with observed urban outdoor and indoor air measurements. We show that human exposure to carbonaceous aerosols of fossil origin is transitioning away from transportation-related sources and toward VCPs. Existing U.S. regulations on VCPs emphasize mitigating ozone and air toxics, but they currently exempt many chemicals that lead to secondary organic aerosols.

  5. [Chemical components of Vetiveria zizanioides volatiles].

    Science.gov (United States)

    Huang, Jinghua; Li, Huashou; Yang, Jun; Chen, Yufen; Liu, Yinghu; Li, Ning; Nie, Chengrong

    2004-01-01

    The chemical components of the volatiles from Vetiveria zizanioides were analyzed by SPME and GC-MS. In the roots, the main component was valencene (30.36%), while in the shoots and leaves, they were 9-octadecenamide (33.50%), 2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene (27.46%), and 1,2-benzendicarboxylic acid, diisooctyl ester(18.29%). The results showed that there were many terpenoids in the volatils. In shoot volatiles, there existed 3 monoterpenes, 2 sequiterpenes and 1 triterpene. Most of the volatiles in roots were sesquiterpenes.

  6. CHEMICAL INVESTIGATION OF THE VOLATILE CONSTITUENTS ...

    African Journals Online (AJOL)

    CHEMICAL INVESTIGATION OF THE VOLATILE CONSTITUENTS OF CLEOME VISCOSA FROM NIGERIA. Gabriel Olatunji, Peter Weyerstahl, Stephen Oguntoye. Abstract. The major volatile constituents of the oils from the integral parts of Cleome viscosa L. from Nigeria have been identified by GC, GC/MS and 1H NMR.

  7. Volatile chemical interaction between undamaged plants

    OpenAIRE

    Glinwood, Robert

    2010-01-01

    This chapter discusses whether plant chemical communication is a mechanism by which plant genetic diversity can affect the natural enemies of herbivores. Plant genetic diversity influences natural enemies, and these insects use volatile chemical cues to locate suitable habitats. However, the importance of chemical communication for these interactions has not been considered. In this chapter, the latest research on chemical communication between undamaged plants is reviewed. ...

  8. Atmospheric transport of persistent semi-volatile organic chemicals to the Arctic and cold condensation in the mid-troposphere – Part 1: 2-D modeling in mean atmosphere

    Directory of Open Access Journals (Sweden)

    J. Ma

    2010-08-01

    Full Text Available In the first part of this study for revisiting the cold condensation effect on global distribution of semi-volatile organic chemicals (SVOCs, the atmospheric transport of SVOCs to the Arctic in the mid-troposphere in a mean meridional atmospheric circulation over the Northern Hemisphere was simulated by a two-dimensional (2-D atmospheric transport model. Results show that under the mean meridional atmospheric circulation the long-range atmospheric transport of SVOCs from warm latitudes to the Arctic occurs primarily in the mid-troposphere. Although major sources are in low and mid-latitude soils, the modeled air concentration of SVOCs in the mid-troposphere is of the same order as or higher than that near the surface, demonstrating that the mid-troposphere is an important pathway and reservoir of SVOCs. The cold condensation of the chemicals is also likely to take place in the mid-troposphere over a source region of SVOCs in warm low latitudes through interacting with clouds. We demonstrate that the temperature dependent vapour pressure and atmospheric degradation rate of SVOCs exhibit similarities between lower atmosphere over the Arctic and the mid-troposphere over a tropical region. Frequent occurrence of atmospheric ascending motion and convection over warm latitudes carry the chemicals to a higher altitude where some of these chemicals may partition onto solid or aqueous phase through interaction with atmospheric aerosols, cloud water droplets and ice particles, and become more persistent at lower temperatures. Stronger winds in the mid-troposphere then convey solid and aqueous phase chemicals to the Arctic where they sink by large-scale descending motion and wet deposition. Using calculated water droplet-air partitioning coefficient of several persistent organic semi-volatile chemicals under a mean air temperature profile from the equator to the North Pole we propose that clouds are likely important sorbing media for SVOCs and pathway of

  9. Molecular corridors and parameterizations of volatility in the chemical evolution of organic aerosols

    Directory of Open Access Journals (Sweden)

    Y. Li

    2016-03-01

    Full Text Available The formation and aging of organic aerosols (OA proceed through multiple steps of chemical reaction and mass transport in the gas and particle phases, which is challenging for the interpretation of field measurements and laboratory experiments as well as accurate representation of OA evolution in atmospheric aerosol models. Based on data from over 30 000 compounds, we show that organic compounds with a wide variety of functional groups fall into molecular corridors, characterized by a tight inverse correlation between molar mass and volatility. We developed parameterizations to predict the saturation mass concentration of organic compounds containing oxygen, nitrogen, and sulfur from the elemental composition that can be measured by soft-ionization high-resolution mass spectrometry. Field measurement data from new particle formation events, biomass burning, cloud/fog processing, and indoor environments were mapped into molecular corridors to characterize the chemical nature of the observed OA components. We found that less-oxidized indoor OA are constrained to a corridor of low molar mass and high volatility, whereas highly oxygenated compounds in atmospheric water extend to high molar mass and low volatility. Among the nitrogen- and sulfur-containing compounds identified in atmospheric aerosols, amines tend to exhibit low molar mass and high volatility, whereas organonitrates and organosulfates follow high O : C corridors extending to high molar mass and low volatility. We suggest that the consideration of molar mass and molecular corridors can help to constrain volatility and particle-phase state in the modeling of OA particularly for nitrogen- and sulfur-containing compounds.

  10. Health risks in international container and bulk cargo transport due to volatile toxic compounds.

    Science.gov (United States)

    Baur, Xaver; Budnik, Lygia Therese; Zhao, Zhiwei; Bratveit, Magne; Djurhuus, Rune; Verschoor, Louis; Rubino, Federico Maria; Colosio, Claudio; Jepsen, Jorgen R

    2015-01-01

    To ensure the preservation and quality of the goods, physical (i.e. radiation) or chemical pest control is needed. The dark side of such consents may bear health risks in international transport and production sharing. In fact, between 10% and 20% of all containers arriving European harbors were shown to contain volatile toxic substances above the exposure limit values. Possible exposure to these toxic chemicals may occur not only for the applicators but also the receiver by off gassing from products, packing materials or transport units like containers. A number of intoxications, some with lethal outcome, occur not only during the fumigation, but also during freight transport (on bulk carriers and other transport vessels), as well as in the logistic lines during loading and unloading. Risk occupations include dock-workers, seafarers, inspectors, as well as the usually uninformed workers of importing enterprises that unload the products. Bystanders as well as vulnerable consumers may also be at risk. Ongoing studies focus on the release of these toxic volatile substances from various goods. It was shown that the half-lives of the off-gassing process range between minutes and months, depending on the toxic substance, its chemical reactivity, concentration, the temperature, the contaminated matrix (goods and packing materials), and the packing density in the transport units. Regulations on declaration and handling dangerous goods are mostly not followed. It is obvious that this hazardous situation in freight transport urgently requires preventive steps. In order to improve awareness and relevant knowledge there is a need for more comprehensive information on chemical hazards and a broader implementation of the already existing regulations and guidelines, such as those from ILO, IMO, and national authorities. It is also necessary to have regular controls by the authorities on a worldwide scale, which should be followed by sanctions in case of disregarding regulations

  11. Investigation of the Factors Influencing Volatile Chemical Fate During Steady-state Accretion on Wet-growing Hail

    Science.gov (United States)

    Michael, R. A.; Stuart, A. L.

    2007-12-01

    Phase partitioning during freezing affects the transport and distribution of volatile chemical species in convective clouds. This consequently can have impacts on tropospheric chemistry, air quality, pollutant deposition, and climate change. Here, we discuss the development, evaluation, and application of a mechanistic model for the study and prediction of volatile chemical partitioning during steady-state hailstone growth. The model estimates the fraction of a chemical species retained in a two-phase freezing hailstone. It is based upon mass rate balances over water and solute for accretion under wet-growth conditions. Expressions for the calculation of model components, including the rates of super-cooled drop collection, shedding, evaporation, and hail growth were developed and implemented based on available cloud microphysics literature. Solute fate calculations assume equilibrium partitioning at air-liquid and liquid-ice interfaces. Currently, we are testing the model by performing mass balance calculations, sensitivity analyses, and comparison to available experimental data. Application of the model will improve understanding of the effects of cloud conditions and chemical properties on the fate of dissolved chemical species during hail growth.

  12. Literature study of volatile radioiodine release from ion-exchange resins during transportation

    International Nuclear Information System (INIS)

    Wren, J.C.

    1991-02-01

    A transport package is currently being developed by Ontario Hydro to carry used filters and ion-exchange columns from the Pickering and Darlington Nuclear Generating Stations to the Bruce Nuclear Generating Station for disposal. The main reason that the transport package must be licensed is the possibility that volatile radionuclides being transported in the package might be released during transport accidents. Of particular concern is the iodine that might become volatile due to the degradation of the ion exchange resin. This report reviews the literature on the thermal and radiolytic degradation of ion exchange resins and provides calculations to estimate the fraction of volatile iodine as a function of time under postulated accident conditions

  13. The influence of surface roughness on volatile transport on the Moon

    Science.gov (United States)

    Prem, P.; Goldstein, D. B.; Varghese, P. L.; Trafton, L. M.

    2018-01-01

    The Moon and other virtually airless bodies provide distinctive environments for the transport and sequestration of water and other volatiles delivered to their surfaces by various sources. In this work, we conduct Monte Carlo simulations of water vapor transport on the Moon to investigate the role of small-scale roughness (unresolved by orbital measurements) in the migration and cold-trapping of volatiles. Observations indicate that surface roughness, combined with the insulating nature of lunar regolith and the absence of significant exospheric heat flow, can cause large variations in temperature over very small scales. Surface temperature has a strong influence on the residence time of migrating water molecules on the lunar surface, which in turn affects the rate and magnitude of volatile transport to permanently shadowed craters (cold traps) near the lunar poles, as well as exospheric structure and the susceptibility of migrating molecules to photodestruction. Here, we develop a stochastic rough surface temperature model suitable for simulations of volatile transport on a global scale, and compare the results of Monte Carlo simulations of volatile transport with and without the surface roughness model. We find that including small-scale temperature variations and shadowing leads to a slight increase in cold-trapping at the lunar poles, accompanied by a slight decrease in photodestruction. Exospheric structure is altered only slightly, primarily at the dawn terminator. We also examine the sensitivity of our results to the temperature of small-scale shadows, and the energetics of water molecule desorption from the lunar regolith - two factors that remain to be definitively constrained by other methods - and find that both these factors affect the rate at which cold trap capture and photodissociation occur, as well as exospheric density and longevity.

  14. Improved exposure estimation in soil screening and cleanup criteria for volatile organic chemicals.

    Science.gov (United States)

    DeVaull, George E

    2017-09-01

    Soil cleanup 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 that 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 semivolatile 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. Integr Environ Assess Manag 2017;13:861-869. © 2017 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC). © 2017 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

  15. Chemical Diversity in Volatiles of Helichrysum plicatum DC. Subspecies in Turkey

    Directory of Open Access Journals (Sweden)

    Bintuğ Öztürk

    2014-07-01

    Full Text Available In the present work three subspecies of Helichrysum plicatum DC. (Helichrysum plicatum DC. subsp. plicatum, Helichrysum plicatum DC. subsp. polyphillum (Ledeb P.H.Davis & Kupicha and Helichrysum plicatum DC. subsp. isauricum Parolly were investigated for the essential oil chemical compositions. The volatiles were obtained by conventional hydrodistillation of aerial parts and microdistillation of inflorescences. Subsequent gas chromatography (GC-FID and gas chromatography coupled to mass spectrometry (GC/MS revealed chemical diversity in compositions of the volatiles analyzed. A total of 199 compounds were identified representing 73.9-98.3% of the volatiles compositions. High abundance of fatty acids and their esters (24.9-70.8% was detected in the herb volatiles of H. plicatum subsp. polyphyllum and H. plicatum subsp. isauricum. The inflorescences of Helichrysum subspecies were found to be rich in monoterpenes (15.0-93.1%, fatty acids (0.1-36.3% and sesquiterpenes (1.1-25.5%. The inflorescence volatiles of H. plicatum subsp. isauricum were distinguished by predomination of monoterpene hydrocarbons (93.1% with fenchene (88.3% as the major constituent

  16. [Advances in novel carrier systems of chemical constituents from spice volatile oils].

    Science.gov (United States)

    Zhang, Jia-jia; Zhu, Yuan; Yu, Jiang-nan; Xu, Xi-ming

    2015-10-01

    Recent years, chemical constituents from spice volatile oils have gained worldwide concern owing to its multiple pharmacological effects and safety for using as the natural antibacterial agents. However, their poor dissolution, strong volatility, serious irritation, weak stability, easy oxidation and low bioavailability characteristics are the major obstacle in the preparation of effective oral formulation and practical application. Therefore, there is an urgent need to select a novel carrier system that can delivery the chemical constituents from spice volatile oils more efficiently with improving their stability as well as alleviating the irritation, and develop the functional food, health products and even medicine for exerting their pharmacological effects, which also is the focus and nodus of the research on their application. This review presents recent systematic studies on their novel carrier systems, including cyclodextrin inclusion complex, liposomes, nanoemulsions, nanoparticles, solid dispersion and so on, and summarizes the characteristics, application range and problems of each novel carrier systems, in order to provide some beneficial thoughts in further developing new products of chemical constituents from spice volatile oils.

  17. Chemically-resolved aerosol volatility measurements from two megacity field studies

    Directory of Open Access Journals (Sweden)

    J. A. Huffman

    2009-09-01

    Full Text Available The volatilities of different chemical species in ambient aerosols are important but remain poorly characterized. The coupling of a recently developed rapid temperature-stepping thermodenuder (TD, operated in the range 54–230°C with a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS during field studies in two polluted megacities has enabled the first direct characterization of chemically-resolved urban particle volatility. Measurements in Riverside, CA and Mexico City are generally consistent and show ambient nitrate as having the highest volatility of any AMS standard aerosol species while sulfate showed the lowest volatility. Total organic aerosol (OA showed volatility intermediate between nitrate and sulfate, with an evaporation rate of 0.6%·K−1 near ambient temperature, although OA dominates the residual species at the highest temperatures. Different types of OA were characterized with marker ions, diurnal cycles, and positive matrix factorization (PMF and show significant differences in volatility. Reduced hydrocarbon-like OA (HOA, a surrogate for primary OA, POA, oxygenated OA (OOA, a surrogate for secondary OA, SOA, and biomass-burning OA (BBOA separated with PMF were all determined to be semi-volatile. The most aged OOA-1 and its dominant ion, CO2+, consistently exhibited the lowest volatility, with HOA, BBOA, and associated ions for each among the highest. The similar or higher volatility of HOA/POA compared to OOA/SOA contradicts the current representations of OA volatility in most atmospheric models and has important implications for aerosol growth and lifetime. A new technique using the AMS background signal was demonstrated to quantify the fraction of species up to four orders-of-magnitude less volatile than those detectable in the MS mode, which for OA represent ~5% of the non-refractory (NR OA signal. Our results strongly imply that all OA types should be considered

  18. The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

    Science.gov (United States)

    McLachlan, Michael S; Czub, Gertje; Wania, Frank

    2002-11-15

    Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental

  19. Emission of volatile organic compounds from petunia flowers is facilitated by an ABC transporter.

    Science.gov (United States)

    Adebesin, Funmilayo; Widhalm, Joshua R; Boachon, Benoît; Lefèvre, François; Pierman, Baptiste; Lynch, Joseph H; Alam, Iftekhar; Junqueira, Bruna; Benke, Ryan; Ray, Shaunak; Porter, Justin A; Yanagisawa, Makoto; Wetzstein, Hazel Y; Morgan, John A; Boutry, Marc; Schuurink, Robert C; Dudareva, Natalia

    2017-06-30

    Plants synthesize a diversity of volatile molecules that are important for reproduction and defense, serve as practical products for humans, and influence atmospheric chemistry and climate. Despite progress in deciphering plant volatile biosynthesis, their release from the cell has been poorly understood. The default assumption has been that volatiles passively diffuse out of cells. By characterization of a Petunia hybrida adenosine triphosphate-binding cassette (ABC) transporter, PhABCG1, we demonstrate that passage of volatiles across the plasma membrane relies on active transport. PhABCG1 down-regulation by RNA interference results in decreased emission of volatiles, which accumulate to toxic levels in the plasma membrane. This study provides direct proof of a biologically mediated mechanism of volatile emission. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  20. Health risks in international container and bulk cargo transport due to volatile toxic compounds

    DEFF Research Database (Denmark)

    Baur, Xaver; Budnik, Lygia T; Zhao, Zhiwei

    2015-01-01

    To ensure the preservation and quality of the goods, physical (i.e. radiation) or chemical pest control is needed. The dark side of such consents may bear health risks in international transport and production sharing. In fact, between 10% and 20% of all containers arriving European harbors were...... with lethal outcome, occur not only during the fumigation, but also during freight transport (on bulk carriers and other transport vessels), as well as in the logistic lines during loading and unloading. Risk occupations include dock-workers, seafarers, inspectors, as well as the usually uninformed workers...... of importing enterprises that unload the products. Bystanders as well as vulnerable consumers may also be at risk. Ongoing studies focus on the release of these toxic volatile substances from various goods. It was shown that the half-lives of the off-gassing process range between minutes and months, depending...

  1. [Analysis of chemical constituents of volatile components from Jia Ga Song Tang by GC-MS].

    Science.gov (United States)

    Tan, Qing-long; Xiong, Tian-qin; Liao, Jia-yi; Yang, Tao; Zhao, Yu-min; Lin, Xi; Zhang, Cui-xian

    2014-10-01

    To analyze the chemical components of volatile components from Jia Ga Song Tang. The volatile oils were extracted by water steam distillation. The chemical components of essential oil were analyzed by GC-MS and quantitatively determined by a normalization method. 103 components were separated and 87 components were identified in the volatile oil of Zingiberis Rhizoma. 58 components were separated and 38 components were identified in the volatile oil of Myristicae Semen. 49 components were separated and 38 components were identified in the volatile oil of Amomi Rotundus Fructus. 89 components were separated and 63 components were identified in the volatile oil of Jia Ga Song Tang. Eucalyptol, β-phellandrene and other terpenes were the main compounds in the volatile oil of Jia Ga Song Tang. Changes in the kinds and content of volatile components can provide evidences for scientific and rational compatibility for Jia Ga Song Tang.

  2. Atmospheric emissions and long-range transport of persistent organic chemicals

    Directory of Open Access Journals (Sweden)

    Scheringer M.

    2010-12-01

    Full Text Available Persistent organic chemicals include several groups of halogenated compounds, such as polychlorinated biphenyls (PCBs, polybrominated diphenylethers (PBDEs, and polyfluorinated carboxylic acids (PFCAs. These chemicals remain for long times (years to decades in the environment and cycle between different media (air, water, sediment, soil, vegetation, etc.. The environmental distribution of this type of chemicals can conveniently be analyzed by multimedia models. Multimedia models consist of a set of coupled mass balance equations for the environmental media considered; they can be set up at various scales from local to global. Two applications of multimedia models to airborne chemicals are discussed in detail: the day-night cycle of PCBs measured in air near the surface, and the atmospheric long-range transport of volatile precursors of PFCAs, formation of PFCAs by oxidation of these precursors, and subsequent deposition of PFCAs to the surface in remote regions such as the Arctic.

  3. Chemical composition and seasonal variation of the volatile oils from Trembleya phlogiformis leaves

    Directory of Open Access Journals (Sweden)

    Sarah R. Fernandes

    Full Text Available ABSTRACT Trembleya phlogiformis DC., Melastomataceae, is a shrub whose leaves are used as a dye for dyeing wool and cotton. The present article aimed to carry out the morphological description of the species, to study the chemical composition of volatile oils from the leaves and flowers and the seasonal variability from the leaves during a year. Macroscopic characterization was carried out with the naked eye and with a stereoscopic microscope. Volatile oils were isolated by hydrodistillation in Clevenger apparatus and analyzed by gas chromatography/mass spectrometry. The major components of the volatile oil of T. phlogiformis flowers were: n-heneicosane (33.5%, phytol (12.3%, n-tricosane (8.4% and linoleic acid (6.1%. It was verified the existence of a large chemical variability of the volatile oils from the leaves of T. phlogiformis over the months, with the majority compound (oleic alcohol, ranging from 5.7 to 26.8% present in all samples. A combination of Cluster Analysis and Principal Component Analysis showed the existence of three main clusters, probably related to the seasons. The results suggested that the volatile oils of T. phlogiformis leaves possess high chemical variability, probably related to variation associated with rainfall and the variation in the behavior of specimens throughout the year. This research provides insights for future studies on the volatile oils obtained from the T. phlogiformis leaves and flowers, mainly related to biological markers of applications monitored in the leaves and flowers of this species.

  4. Chemically-resolved volatility measurements of organic aerosol fom different sources.

    Science.gov (United States)

    Huffman, J A; Docherty, K S; Mohr, C; Cubison, M J; Ulbrich, I M; Ziemann, P J; Onasch, T B; Jimenez, J L

    2009-07-15

    A newly modified fast temperature-stepping thermodenuder (TD) was coupled to a High Resolution Time-of-Flight Aerosol Mass Spectrometer for rapid determination of chemically resolved volatility of organic aerosols (OA) emitted from individual sources. The TD-AMS system was used to characterize primary OA (POA) from biomass burning, trash burning surrogates (paper and plastic), and meat cooking as well as chamber-generated secondary OA (SOA) from alpha-pinene and gasoline vapor. Almost all atmospheric models represent POA as nonvolatile, with no allowance for evaporation upon heating or dilution, or condensation upon cooling. Our results indicate that all OAs observed show semivolatile behavior and that most POAs characterized here were at least as volatile as SOA measured in urban environments. Biomass-burning OA (BBOA) exhibited a wide range of volatilities, but more often showed volatility similar to urban OA. Paper-burning resembles some types of BBOA because of its relatively high volatility and intermediate atomic oxygen-to-carbon (O/C) ratio, while meat-cooking OAs (MCOA) have consistently lower volatility than ambient OA. Chamber-generated SOA under the relatively high concentrations used intraditional experiments was significantly more volatile than urban SOA, challenging extrapolation of traditional laboratory volatility measurements to the atmosphere. Most OAs sampled show increasing O/C ratio and decreasing H/C (hydrogen-to-carbon) ratio with temperature, further indicating that more oxygenated OA components are typically less volatile. Future experiments should systematically explore a wider range of mass concentrations to more fully characterize the volatility distributions of these OAs.

  5. Chemical Investigations of Volatile Oil of Salvia yosgadensis Freyn et Bornm

    OpenAIRE

    ŞARER, Engin

    1988-01-01

    There are 44 endemic species of the Salvia genera growing in Anatolia. In this research, the physical properties and the chemical composition of the volatile oil of S. yosgadensis Freyn. et Bornm. as an endemic species have been investigated. The flowers and leaves of the plant contain 0.30 per cent volatile oil. In this oil 14 monoterpene hydrocarbons and 15 oxygen-containing compounds and sesquiter

  6. Volatility of fragrance chemicals: patch testing implications.

    Science.gov (United States)

    Gilpin, Sarah J; Hui, Xiaoying; Maibach, Howard I

    2009-01-01

    Diagnostic and predictive patch testing to determine contact allergy due to fragrance materials requires applying a fixed dose of material to the skin. This dose can be affected by the volatile nature of fragrances; little data exist on how the loss of fragrance dose due to volatility affects patch testing. (1) To evaluate pH dependence and evaporation rates of two fragrance chemicals, geraniol, citronellol, and a common fragrance solvent, diethyl phthalate (DEP) and (2) Assess implications for predictive patch-testing methods for fragrances. pH analysis of each material at 1% for three values (4.0, 5.0, 7.0) was done over 40 hours. Volatility experiments for each material, nonradiolabeled and radiolabeled, were conducted over a 24-hour period, taking readings at six time points (5 minutes, 15 minutes, 40 minutes, 1 hour, 3 hours, and 24 hours). Evaporation rates were not sensitive to pH shifts from 4.0 to 7.0. Evaporation rates for nonradiolabeled materials were low: after 24 hours, geraniol lost 8.9%, citronellol 27.0% and DEP 14.5%. The volatility data for radiolabeled materials demonstrated that geraniol loses up to 39% of its dose, citronellol loses up to 26%, and DEP up to 14% within 40 minutes. The tendency of fragrance materials to evaporate can impact the dose being applied to the patch and therefore the result of the patch and ultimately the decision-making process regarding that fragrance material's safety. These data, developed with DEP, utilized in a predictive sensitization assay cannot be generalized.

  7. Volatile Transport on Pluto: First Results from the 2013 Observing Season

    Science.gov (United States)

    Buratti, B. J.; Dalba, P. A.; Hicks, M.; Chu, D.; O'Neill, A.; Chesley, J. P.

    2013-12-01

    With the New Horizons spacecraft due to encounter Pluto in slightly less than two years, close scrutiny of this dwarf ice planet has begun in earnest. Ground-based observations are especially critical for context and for a larger temporal excursion. Seasonal transport of volatiles should occur on Pluto, and this transport should be detectable through changes in its rotational light curve, once all variations due to viewing geometry have been modeled. Giving the steady increase observed in Pluto's atmospheric pressure over the past two decades, associated sublimation of frost from the surface has likely occurred, as predicted by volatile transport models. Rotational light curves of Pluto through time have been created for static frost models based on images from the Hubble Space Telescope. These models, which account for changes in viewing geometry, have been compared with observed light curves obtained between 1950 and 2013. No evidence for transport was evident prior to 2000. Observations from 2002 (Buie et al., 2010, Astron. J. 139, 1128) and 2007-2008 (Hicks et al. 2008, B.A.A.S. 40, 460) suggest changes in the frost pattern on Pluto's surface. New observations of Pluto's light curve from the 2013 season from Table Mountain Observatory show no evidence for the large transport of volatiles on Pluto's surface. Our data are the first measurement of a large opposition surge on Pluto similar to that seen on other icy bodies. Both Buie et al. (2010) and our observations from the 2012-2013 seasons show that Pluto is becoming more red in color. This observation makes sense if nitrogen is being removed from the surface to uncover a red, photolyzed substrate of methane. Funded by NASA.

  8. Metabolism by grasshoppers of volatile chemical constituents from Mangifera indica and Solanum paniculatum leaves.

    Science.gov (United States)

    Ramos, Clécio S; Ramos, Natália S M; Da Silva, Rodolfo R; Da Câmara, Cláudio A G; Almeida, Argus V

    2012-12-01

    The chemical volatiles from plant leaves and their biological activities have been extensively studied. However, no studies have addressed plant-chemical volatiles after undergoing the digestive process in host insects. Here we describe for the first time chemical profiles of volatile constituents from Solanum paniculatum and Mangifera indica leaves metabolized by grasshoppers. Both profiles were qualitatively and quantitatively different from the profiles of non-metabolized leaves. The amount of nerolidol, the major constituent of S. paniculatum leaves, decreased and other sesquiterpenes, such as spathulenol, were formed during the digestive process of the grasshopper Chromacris speciosa. In M. indica, the presence of phenylpropanoids was observed (dillapiole, Z-asarone, E-asarone and γ-asarone) in the leaves metabolized by the grasshopper Tropidacris collaris, but these compounds were not found in the non-metabolized leaves. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. TMVOC, simulator for multiple volatile organic chemicals

    International Nuclear Information System (INIS)

    Pruess, Karsten; Battistelli, Alfredo

    2003-01-01

    TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under ''natural'' environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation. TMVOC is upwards compatible with T2VOC (Falta et al., 1995) and can be initialized from T2VOC-style initial conditions. The main enhancements in TMVOC relative to T2VOC are as follows: a multicomponent mixture of volatile organic chemicals can be modeled; any and all combinations of the three phases water-oil-gas are treated; several non-condensible gases may be present; diffusion is treated in all phases in a manner that is fully coupled with phase partitioning. This paper gives a brief summary of the methodology used in TMVOC as well as highlighting some implementation issues. Simulation of a NAPL spill and subsequent remediation is discussed for a 2-D vertical section of a saturated-unsaturated flow problem

  10. Chemical Composition of the Semi-Volatile Grains of Comet 67P/Churyumov-Gerasimenko

    Science.gov (United States)

    Wurz, P.; Altwegg, K.; Balsiger, H. R.; Berthelier, J. J.; De Keyser, J.; Fiethe, B.; Fuselier, S. A.; Gasc, S.; Gombosi, T. I.; Korth, A.; Mall, U.; Reme, H.; Rubin, M.; Tzou, C. Y.

    2017-12-01

    Rosetta was in orbit of comet 67P/Churyumov-Gerasimenko from August 2014 to September 2016. On board is the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) experiment that has been continuously collecting data on the chemical composition and activity of the coma from 3.5 AU to pericentre at 1.24 AU and out again to 3.5 AU. ROSINA consists of two mass spectrometers, the Double Focusing Mass Spectrometer (DFMS) and the Reflectron-type Time-Of-Flight (RTOF), as well as the COmet Pressure Sensor (COPS). ROSINA recorded the neutral gas and thermal plasma in the comet's coma. The two mass spectrometers have high dynamic ranges and complement each other with high mass resolution, and high time resolution and large mass range. COPS measures total gas densities, bulk velocities, and gas temperatures. Occasionally, a dust grain of cometary origin enters the ion source of a ROSINA instrument where the volatile part evaporates since these ion sources are hot. The release of volatiles from cometary dust grains was observed with all three ROSINA instruments on several occasions. Because the volatile content of such a dust grain is completely evaporated after a few seconds, the RTOF instrument is best suited for the investigation of its chemical composition since complete mass spectra are recorded during this time. During the mission 9 dust grains were observed with RTOF during the October 2014 to July 2016 time period. It is estimated that these grains contain about 10-15 g of volatiles. The mass spectra were interpreted with a set of 75 molecules, with the major groups of chemical species being hydrocarbons, oxygenated hydrocarbons, nitrogen-bearing molecules, sulphur-bearing molecules, halogenated molecules and others. About 70% of these grains are depleted in water compared to the comet coma, thus, can be considered as semi-volatile dust grains, and the other about 30% are water grains. The chemical composition varies considerably from grain to grain

  11. Mechanisms of chemical generation of volatile hydrides for trace element determination (IUPAC Technical Report)

    Czech Academy of Sciences Publication Activity Database

    D'Ulivo, A.; Dědina, Jiří; Mester, Z.; Sturgeon, R. E.; Wang, Q.; Welz, B.

    2011-01-01

    Roč. 83, č. 6 (2011), s. 1283-1340 ISSN 0033-4545 Institutional research plan: CEZ:AV0Z40310501 Keywords : borane complexes * chemical generation of volatile hydrides (CHG) * volatile hydrides Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.789, year: 2011

  12. Volatile chemicals in glands of the carpenter ant, Camponotus ...

    African Journals Online (AJOL)

    Volatile chemicals in glands of the carpenter ant, Camponotus arminius. J.M. Brand, L.V. Mabinya, E.D. Morgan. Abstract. Camponotus arminius is a large black carpenter ant that occurs in tropical and sub-tropical Africa and has extensive foraging trails both in trees and on the ground. Analysis of excised mandibular glands ...

  13. Chemical transport reactions

    CERN Document Server

    Schäfer, Harald

    2013-01-01

    Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

  14. High Throughput Exposure Modeling of Semi-Volatile Chemicals in Articles of Commerce (SOT)

    Science.gov (United States)

    Chemical components of consumer products and articles of commerce such as carpet and clothing are key drivers of exposure in the near-field environment. These chemicals include semi-volatile organic compounds (SVOCs), some of which have been shown to alter endocrine functionality...

  15. [Analysis of the chemical constituents of volatile oils of Metasequoia glyptostroboides leave].

    Science.gov (United States)

    Shong, E; Lui, R

    1997-10-01

    The chemical constituents of volatile oils of Metasequoia glyptostroboides leave were analyzed by GC-MS-DS. 27 constituents were identified, alpha-pinene (70.65%) and caryophyllene (10.38%) of them are main components.

  16. Real-Time Measurement of Volatile Chemicals Released by Bed Bugs during Mating Activities

    DEFF Research Database (Denmark)

    Kilpinen, Ole Østerlund; Liu, Dezhao; Adamsen, Anders Peter

    2012-01-01

    In recent years, bed bug (Hemiptera: Cimicidae) problems have increased dramatically in many parts of the world, leading to a renewed interest in their chemical ecology. Most studies of bed bug semiochemicals have been based on the collection of volatiles over a period of time followed by chemical...

  17. Transient receptor potential channels encode volatile chemicals sensed by rat trigeminal ganglion neurons.

    Directory of Open Access Journals (Sweden)

    Matthias Lübbert

    Full Text Available Primary sensory afferents of the dorsal root and trigeminal ganglia constantly transmit sensory information depicting the individual's physical and chemical environment to higher brain regions. Beyond the typical trigeminal stimuli (e.g. irritants, environmental stimuli comprise a plethora of volatile chemicals with olfactory components (odorants. In spite of a complete loss of their sense of smell, anosmic patients may retain the ability to roughly discriminate between different volatile compounds. While the detailed mechanisms remain elusive, sensory structures belonging to the trigeminal system seem to be responsible for this phenomenon. In order to gain a better understanding of the mechanisms underlying the activation of the trigeminal system by volatile chemicals, we investigated odorant-induced membrane potential changes in cultured rat trigeminal neurons induced by the odorants vanillin, heliotropyl acetone, helional, and geraniol. We observed the dose-dependent depolarization of trigeminal neurons upon application of these substances occurring in a stimulus-specific manner and could show that distinct neuronal populations respond to different odorants. Using specific antagonists, we found evidence that TRPA1, TRPM8, and/or TRPV1 contribute to the activation. In order to further test this hypothesis, we used recombinantly expressed rat and human variants of these channels to investigate whether they are indeed activated by the odorants tested. We additionally found that the odorants dose-dependently inhibit two-pore potassium channels TASK1 and TASK3 heterologously expressed In Xenopus laevis oocytes. We suggest that the capability of various odorants to activate different TRP channels and to inhibit potassium channels causes neuronal depolarization and activation of distinct subpopulations of trigeminal sensory neurons, forming the basis for a specific representation of volatile chemicals in the trigeminal ganglia.

  18. Comparison of the Chemical Composition of “Cystoseira sedoides (Desfontaines C. Agardh” Volatile Compounds Obtained by Different Extraction Techniques

    Directory of Open Access Journals (Sweden)

    Naima Bouzidi

    2016-01-01

    Full Text Available The volatile fraction of the brown alga Cystoseira sedoides (Desfontaines C.Agardh is prepared from the crude extract through the following three extraction methods: Hydrodistillation (HD, focused microwave assisted hydrodistillation (FMAHD and supercritical fluid extraction (SFE. The volatile fractions are analyzed by gas chromatography-flame ionization detector-mass spectrometry (GC-FID-MS, the chemical components are identified on the basis of the comparison of their retention indices with literature and their mass spectra with those reported in commercial databases. The chemical composition of the volatile fractions obtained by different extraction techniques fall into three major chemical classes: fatty acids and derivatives, sesquiterpenes, and hydrocarbons and derivatives. Others Compounds belonging to different chemical classes are found in that chemical composition.

  19. Proboscis extension reflex platform for volatiles and semi-volatiles detection

    Energy Technology Data Exchange (ETDEWEB)

    Wingo, Robert M. (Los Alamos, NM); McCabe, Kirsten J. (Los Alamos, NM); Haarmann, Timothy K. (Jemez Pueblo, NM)

    2010-11-30

    The present invention provides an apparatus for the detection of volatile and semi-volatile chemicals using the olfactory abilities of honey bees that are trained to respond to the presence of a specific chemical in a sample of gas with the proboscis extension reflex (PER). In particular, the geometry and arrangement of the parts of the apparatus are such that the amount of surface area in contact with the sample of gas prior to its introduction to the bees is minimized to improve the detection of particular volatile and semi-volatile that have a tendency to "stick" to contacting surfaces, especially certain chemicals associated with explosives and narcotics. According to another aspect of the present invention, a pre-concentrating means is incorporated with the device to effectively increase the concentration of "sticky" chemicals presented to the insects.

  20. The volatile pivalates of Y, Ba and Cu as prospective precursors for metal-organic chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Iljina, E. (Dept. of Chemistry, Moscow State Univ. (Russian Federation)); Korjeva, A. (Dept. of Chemistry, Moscow State Univ. (Russian Federation)); Kuzmina, N. (Dept. of Chemistry, Moscow State Univ. (Russian Federation)); Troyanov, S. (Dept. of Chemistry, Moscow State Univ. (Russian Federation)); Dunaeva, K. (Dept. of Chemistry, Moscow State Univ. (Russian Federation)); Martynenko, L. (Dept. of Chemistry, Moscow State Univ. (Russian Federation))

    1993-04-15

    The volatile pivalates of Y, Ba and Cu were synthesized and characterized by chemical and thermogravimetric analysis, IR spectroscopy, X-ray diffraction and mass spectrometry. The volatilities of metal pivalates was studied; the vapour pressures, thermodynamic characteristics and rates of sublimation were investigated. The volatile pivalates of Y, Ba and Cu are new prospective accessible compounds. (orig.)

  1. Herbivore-induced plant volatiles and tritrophic interactions across spatial scales.

    Science.gov (United States)

    Aartsma, Yavanna; Bianchi, Felix J J A; van der Werf, Wopke; Poelman, Erik H; Dicke, Marcel

    2017-12-01

    Herbivore-induced plant volatiles (HIPVs) are an important cue used in herbivore location by carnivorous arthropods such as parasitoids. The effects of plant volatiles on parasitoids have been well characterised at small spatial scales, but little research has been done on their effects at larger spatial scales. The spatial matrix of volatiles ('volatile mosaic') within which parasitoids locate their hosts is dynamic and heterogeneous. It is shaped by the spatial pattern of HIPV-emitting plants, the concentration, chemical composition and breakdown of the emitted HIPV blends, and by environmental factors such as wind, turbulence and vegetation that affect transport and mixing of odour plumes. The volatile mosaic may be exploited differentially by different parasitoid species, in relation to species traits such as sensory ability to perceive volatiles and the physical ability to move towards the source. Understanding how HIPVs influence parasitoids at larger spatial scales is crucial for our understanding of tritrophic interactions and sustainable pest management in agriculture. However, there is a large gap in our knowledge on how volatiles influence the process of host location by parasitoids at the landscape scale. Future studies should bridge the gap between the chemical and behavioural ecology of tritrophic interactions and landscape ecology. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.

  2. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Directory of Open Access Journals (Sweden)

    E. C. Apel

    2010-03-01

    Full Text Available The volatile organic compound (VOC distribution in the Mexico City Metropolitan Area (MCMA and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs but with a substantial contribution from oxygenated volatile organic compounds (OVOCs, predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry model and MOZART (Model for Ozone and Related chemical Tracers were able to approximate the observed MCMA daytime patterns and absolute values of the VOC OH reactivity. The MOZART model is also in agreement with observations showing that NMHCs dominate the reactivity distribution except in the afternoon hours. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height.

    A northeast transport event was studied in which air originating in the MCMA was intercepted aloft with the Department of Energy (DOE G1 on 18 March and downwind with the National Center for Atmospheric Research (NCAR C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind; ozone was shown to be photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial extent and temporal evolution of the plume

  3. A numerical solution to three-dimensional multiphase transport of volatile organic compounds in unsaturated soils -- with an application to the remedial method of in-situ volatilization

    International Nuclear Information System (INIS)

    Filley, T.; Tomasko, D.

    1992-04-01

    Part I of this paper presents the development and application of a numerical model for determining the fate and transport of volatile organic compounds (VOCS) in the unsaturated zone resulting from forced volatilization and gaseous advection-dispersion of organic vapor in a multipartitioned three-dimensional environment. The model allows for single-component transport in the gas and water phases. The hydrocarbon is assumed to be in specific retention and, therefore, immobile. Partitioning of the hydrocarbon between the oil, water, gas, and soil is developed as rate-limited functions that are incorporated into sink/source terms in the transport equations. The code for the model was developed specifically to investigate in-situ volatilization (ISV) remedial strategies, predict the extent of cleanup from information obtained at a limited number of measurement locations, and to help design ISV remedial systems. Application of the model is demonstrated for a hypothetical one-dimensional ISV system. Part II of this paper will present the analysis of an existing ISV system using the full three-dimensional capability of the model

  4. Micro- and Nanostructured Metal Oxide Chemical Sensors for Volatile Organic Compounds

    Science.gov (United States)

    Alim, M. A.; Penn, B. G.; Currie, J. R., Jr.; Batra, A. K.; Aggarwal, M. D.

    2008-01-01

    Aeronautic and space applications warrant the development of chemical sensors which operate in a variety of environments. This technical memorandum incorporates various kinds of chemical sensors and ways to improve their performance. The results of exploratory investigation of the binary composite polycrystalline thick-films such as SnO2-WO3, SnO2-In2O3, SnO2-ZnO for the detection of volatile organic compound (isopropanol) are reported. A short review of the present status of the new types of nanostructured sensors such as nanobelts, nanorods, nanotube, etc. based on metal oxides is presented.

  5. CHMTRNS, Non-Equilibrium Chemical Transport Code

    International Nuclear Information System (INIS)

    Noorishad, J.; Carnahan, C.L.; Benson, L.V.

    1998-01-01

    1 - Description of program or function: CHMTRNS simulates solute transport for steady one-dimensional fluid flow by convection and diffusion or dispersion in a saturated porous medium based on the assumption of local chemical equilibrium. The chemical interactions included in the model are aqueous-phase complexation, solid-phase ion exchange of bare ions and complexes using the surface complexation model, and precipitation or dissolution of solids. The program can simulate the kinetic dissolution or precipitation for calcite and silica as well as irreversible dissolution of glass. Thermodynamic parameters are temperature dependent and are coupled to a companion heat transport simulator; thus, the effects of transient temperature conditions can be considered. Options for oxidation-reduction (redox) and C-13 fractionation as well as non-isothermal conditions are included. 2 - Method of solution: The governing equations for both reactive chemical and heat transport are discretized in time and space. For heat transport, the Crank-Nicolson approximation is used in conjunction with a LU decomposition and backward substitution solution procedure. To deal with the strong nonlinearity of the chemical transport equations, a generalized Newton-Raphson method is used

  6. Vaporization of low-volatile fission products under severe CANDU reactor accident conditions

    International Nuclear Information System (INIS)

    Lewis, B.J.; Corse, B.J.; Thompson, W.T.; Kaye, M.H.; Iglesias, F.C.; Elder, P.; Dickson, R.; Liu, Z.

    1997-01-01

    An analytical model has been developed to describe the release behaviour of low-volatile fission products from uranium dioxide fuel under severe reactor accident conditions. The effect of the oxygen potential on the chemical form and volatility of fission products is determined by Gibbs-energy minimization. The release kinetics are calculated according to the rate-controlling step of diffusional transport in the fuel matrix or fission product vaporization from the fuel surface. The effect of fuel volatilization (i.e., matrix stripping) on the release behaviour is also considered. The model has been compared to data from an out-of-pile annealing experiment performed in steam at the Chalk River Laboratories. (author)

  7. Iodine volatility

    International Nuclear Information System (INIS)

    Beahm, E.C.; Shockley, W.E.

    1984-01-01

    The ultimate aim of this program is to couple experimental aqueous iodine volatilities to a fission product release model. Iodine partition coefficients, for inorganic iodine, have been measured during hydrolysis and radiolysis. The hydrolysis experiments have illustrated the importance of reaction time on iodine volatility. However, radiolysis effects can override hydrolysis in determining iodine volatility. In addition, silver metal in radiolysis samples can react to form silver iodide accompanied by a decrease in iodine volatility. Experimental data are now being coupled to an iodine transport and release model that was developed in the Federal Republic of Germany

  8. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Energy Technology Data Exchange (ETDEWEB)

    Apel, Eric; Emmons, L.; Karl, Thomas G.; Flocke, Frank M.; Hills, A. J.; Madronich, Sasha; Lee-Taylor, J.; Fried, Alan; Weibring, P.; Walega, J.; Richter, Dirk; Tie, X.; Mauldin, L.; Campos, Teresa; Weinheimer, Andrew J.; Knapp, David; Sive, B.; Kleinman, Lawrence I.; Springston, S.; Zaveri, Rahul A.; Ortega, John V.; Voss, Paul B.; Blake, D. R.; Baker, Angela K.; Warneke, Carsten; Welsh-Bon, Daniel; de Gouw, Joost A.; Zheng, J.; Zhang, Renyi; Rudolph, Jochen; Junkermann, W.; Riemer, D.

    2010-01-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on March 18 and the NCAR C130 one day later on March 19. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the March 19 plume and to help interpret the OH

  9. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Energy Technology Data Exchange (ETDEWEB)

    Apel, E.; Springston, S.; Karl, T.; Emmons, L.; Flocke, F.; Hills, A. J.; Madronich, S.; Lee-Taylor, J.; Fried, A.; Weibring, P.; Walega, J.; Richter, D., Tie, X.; Mauldin, L.; Campos, T.; Sive, B.; Kleinman, L.; Springston, S., Zaveri, R.; deGouw, J.; Zheng, J.; Zhang, R.; Rudolph, J.; Junkermann, W.; Riemer, D. D.

    2009-11-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on 18 March and the NCAR C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the 19 March plume and to help interpret the OH

  10. Coupling between solute transport and chemical reactions models

    International Nuclear Information System (INIS)

    Samper, J.; Ajora, C.

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

  11. Relationship between the evaporation rate and vapor pressure of moderately and highly volatile chemicals.

    Science.gov (United States)

    van Wesenbeeck, Ian; Driver, Jeffrey; Ross, John

    2008-04-01

    Volatilization of chemicals can be an important form of dissipation in the environment. Rates of evaporative losses from plant and soil surfaces are useful for estimating the potential for food-related dietary residues and operator and bystander exposure, and can be used as source functions for screening models that predict off-site movement of volatile materials. A regression of evaporation on vapor pressure from three datasets containing 82 pesticidal active ingredients and co-formulants, ranging in vapor pressure from 0.0001 to >30,000 Pa was developed for this purpose with a regression correlation coefficient of 0.98.

  12. Determinants of the Sensory Quality of Półgęsek in Relation to Volatile Compounds and Chemical Composition

    Directory of Open Access Journals (Sweden)

    Nowicka Katarzyna

    2017-12-01

    Full Text Available The objective of this study was to determine the sensory quality of a specific Polish traditional product made from cured and then smoked goose meat (półgęsek in relation to its volatile compounds and chemical composition. In general, the examined samples contained 66.2% water, 12.2% fat, 17.9% protein, 1.8% connective tissue, and 2.3% NaCl. Moreover, 47 volatile compounds were identified and quantified. The typical decomposition products derived from lipid oxidation, amino acid degradation, carbohydrate fermentation and microbial esterification were the main volatiles detected in all the samples. The volatiles generated by the smoking process and the ones originating from spices were also observed. The results of the sensory evaluation indicated that all the samples of the analyzed products were characterized by a high overall quality. Results of the Principal Component Analysis (PCA showed, however, that specific groups of products have their own unique sensory profile. Additionally, the sensory analysis confirmed the significant role of the chemical composition and volatile compounds in the development of the overall quality of półgęsek.

  13. IVO, a device for In situ Volatilization and On-line detection of products from heavy ion reactions

    CERN Document Server

    Duellmann, C E; Eichler, R; Gäggeler, H W; Jost, D T; Piguet, D; Türler, A

    2002-01-01

    A new gaschromatographic separation system to rapidly isolate heavy ion reaction products in the form of highly volatile species is described. Reaction products recoiling from the target are stopped in a gas volume and converted in situ to volatile species, which are swept by the carrier gas to a chromatography column. Species that are volatile under the given conditions pass through the column. In a cluster chamber, which is directly attached to the exit of the column, the isolated volatile species are chemically adsorbed to the surface of aerosol particles and transported to an on-line detection system. The whole set-up was tested using short-lived osmium (Os) and mercury (Hg) nuclides produced in heavy ion reactions to model future chemical studies with hassium (Hs, Z=108) and element 112. By varying the temperature of the isothermal section of the chromatography column between room temperature and -80 deg. C, yield measurements of given species can be conducted, yielding information about the volatility o...

  14. Microbes and associated soluble and volatile chemicals on periodically wet household surfaces.

    Science.gov (United States)

    Adams, Rachel I; Lymperopoulou, Despoina S; Misztal, Pawel K; De Cassia Pessotti, Rita; Behie, Scott W; Tian, Yilin; Goldstein, Allen H; Lindow, Steven E; Nazaroff, William W; Taylor, John W; Traxler, Matt F; Bruns, Thomas D

    2017-09-26

    Microorganisms influence the chemical milieu of their environment, and chemical metabolites can affect ecological processes. In built environments, where people spend the majority of their time, very little is known about how surface-borne microorganisms influence the chemistry of the indoor spaces. Here, we applied multidisciplinary approaches to investigate aspects of chemical microbiology in a house. We characterized the microbial and chemical composition of two common and frequently wet surfaces in a residential setting: kitchen sink and bathroom shower. Microbial communities were studied using culture-dependent and independent techniques, including targeting RNA for amplicon sequencing. Volatile and soluble chemicals from paired samples were analyzed using state-of-the-art techniques to explore the links between the observed microbiota and chemical exudates. Microbial analysis revealed a rich biological presence on the surfaces exposed in kitchen sinks and bathroom shower stalls. Microbial composition, matched for DNA and RNA targets, varied by surface type and sampling period. Bacteria were found to have an average of 25× more gene copies than fungi. Biomass estimates based on qPCR were well correlated with measured total volatile organic compound (VOC) emissions. Abundant VOCs included products associated with fatty acid production. Molecular networking revealed a diversity of surface-borne compounds that likely originate from microbes and from household products. Microbes played a role in structuring the chemical profiles on and emitted from kitchen sinks and shower stalls. Microbial VOCs (mVOCs) were predominately associated with the processing of fatty acids. The mVOC composition may be more stable than that of microbial communities, which can show temporal and spatial variation in their responses to changing environmental conditions. The mVOC output from microbial metabolism on kitchen sinks and bathroom showers should be apparent through careful

  15. Characterization of chemical agent transport in paints.

    Science.gov (United States)

    Willis, Matthew P; Gordon, Wesley; Lalain, Teri; Mantooth, Brent

    2013-09-15

    A combination of vacuum-based vapor emission measurements with a mass transport model was employed to determine the interaction of chemical warfare agents with various materials, including transport parameters of agents in paints. Accurate determination of mass transport parameters enables the simulation of the chemical agent distribution in a material for decontaminant performance modeling. The evaluation was performed with the chemical warfare agents bis(2-chloroethyl) sulfide (distilled mustard, known as the chemical warfare blister agent HD) and O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), an organophosphate nerve agent, deposited on to two different types of polyurethane paint coatings. The results demonstrated alignment between the experimentally measured vapor emission flux and the predicted vapor flux. Mass transport modeling demonstrated rapid transport of VX into the coatings; VX penetrated through the aliphatic polyurethane-based coating (100 μm) within approximately 107 min. By comparison, while HD was more soluble in the coatings, the penetration depth in the coatings was approximately 2× lower than VX. Applications of mass transport parameters include the ability to predict agent uptake, and subsequent long-term vapor emission or contact transfer where the agent could present exposure risks. Additionally, these parameters and model enable the ability to perform decontamination modeling to predict how decontaminants remove agent from these materials. Published by Elsevier B.V.

  16. The effect of volatility on percutaneous absorption.

    Science.gov (United States)

    Rouse, Nicole C; Maibach, Howard I

    2016-01-01

    Topically applied chemicals may volatilize, or evaporate, from skin leaving behind a chemical residue with new percutaneous absorptive capabilities. Understanding volatilization of topical medications, such as sunscreens, fragrances, insect repellants, cosmetics and other commonly applied topicals may have implications for their safety and efficacy. A systematic review of English language articles from 1979 to 2014 was performed using key search terms. Articles were evaluated to assess the relationship between volatility and percutaneous absorption. A total of 12 articles were selected and reviewed. Key findings were that absorption is enhanced when coupled with a volatile substance, occlusion prevents evaporation and increases absorption, high ventilation increases volatilization and reduces absorption, and pH of skin has an affect on a chemical's volatility. The articles also brought to light that different methods may have an affect on volatility: different body regions; in vivo vs. in vitro; human vs. Data suggest that volatility is crucial for determining safety and efficacy of cutaneous exposures and therapies. Few articles have been documented reporting evaporation in the context of percutaneous absorption, and of those published, great variability exists in methods. Further investigation of volatility is needed to properly evaluate its role in percutaneous absorption.

  17. Volatiles in the Martian regolith

    International Nuclear Information System (INIS)

    Clark, B.C.; Baird, A.K.

    1979-01-01

    An inventory of released volatiles on Mars has been derived based upon Viking measurements of atmospheric and surface chemical composition, and upon the inferred mineralogy of a ubiquitous regolith, assumed to average 200m in depth. This model is consistent with the relative abundances of volatiles (except for S) on the Earth's surface, but implies one-fifteenth of the volatile release of Earth if starting materials were comparable. All constituents are accommodated as chemical components of, or absorbed phases on, regolith materials--without the necessity of invoking unobservable deposits of carbonates, nitrates, or permafrost ice

  18. Adolescent Exposure to Toxic Volatile Organic Chemicals From E-Cigarettes.

    Science.gov (United States)

    Rubinstein, Mark L; Delucchi, Kevin; Benowitz, Neal L; Ramo, Danielle E

    2018-04-01

    There is an urgent need to understand the safety of e-cigarettes with adolescents. We sought to identify the presence of chemical toxicants associated with e-cigarette use among adolescents. Adolescent e-cigarette users (≥1 use within the past 30 days, ≥10 lifetime e-cigarette use episodes) were divided into e-cigarette-only users (no cigarettes in the past 30 days, urine 4-[methylnitrosamino]-1-[3-pyridyl]-1-butanol [NNAL] level 30 pg/mL; n = 16), and never-using controls ( N = 20). Saliva was collected within 24 hours of the last e-cigarette use for analysis of cotinine and urine for analysis of NNAL and levels of 8 volatile organic chemical compounds. Bivariate analyses compared e-cigarette-only users with dual users, and regression analyses compared e-cigarette-only users with dual users and controls on levels of toxicants. The participants were 16.4 years old on average. Urine excretion of metabolites of benzene, ethylene oxide, acrylonitrile, acrolein, and acrylamide was significantly higher in dual users versus e-cigarette-only users (all P < .05). Excretion of metabolites of acrylonitrile, acrolein, propylene oxide, acrylamide, and crotonaldehyde were significantly higher in e-cigarette-only users compared with controls (all P < .05). Although e-cigarette vapor may be less hazardous than tobacco smoke, our findings can be used to challenge the idea that e-cigarette vapor is safe, because many of the volatile organic compounds we identified are carcinogenic. Messaging to teenagers should include warnings about the potential risk from toxic exposure to carcinogenic compounds generated by these products. Copyright © 2018 by the American Academy of Pediatrics.

  19. The TOMCAT global chemical transport model v1.6: description of chemical mechanism and model evaluation

    Directory of Open Access Journals (Sweden)

    S. A. Monks

    2017-08-01

    Full Text Available This paper documents the tropospheric chemical mechanism scheme used in the TOMCAT 3-D chemical transport model. The current scheme includes a more detailed representation of hydrocarbon chemistry than previously included in the model, with the inclusion of the emission and oxidation of ethene, propene, butane, toluene and monoterpenes. The model is evaluated against a range of surface, balloon, aircraft and satellite measurements. The model is generally able to capture the main spatial and seasonal features of high and low concentrations of carbon monoxide (CO, ozone (O3, volatile organic compounds (VOCs and reactive nitrogen. However, model biases are found in some species, some of which are common to chemistry models and some that are specific to TOMCAT and warrant further investigation. The most notable of these biases are (1 a negative bias in Northern Hemisphere (NH winter and spring CO and a positive bias in Southern Hemisphere (SH CO throughout the year, (2 a positive bias in NH O3 in summer and a negative bias at high latitudes during SH winter and (3 a negative bias in NH winter C2 and C3 alkanes and alkenes. TOMCAT global mean tropospheric hydroxyl radical (OH concentrations are higher than estimates inferred from observations of methyl chloroform but similar to, or lower than, multi-model mean concentrations reported in recent model intercomparison studies. TOMCAT shows peak OH concentrations in the tropical lower troposphere, unlike other models which show peak concentrations in the tropical upper troposphere. This is likely to affect the lifetime and transport of important trace gases and warrants further investigation.

  20. Incorporating the value of changes in price volatility into cost-benefit analysis-an application to oil prices in the transport sector

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Thomas C., E-mail: tcj@transport.dtu.d [Department of Transport, Danish Technical University, Bygningstorvet 116 Vest, 2800 Lyngby (Denmark); Moller, Flemming [National Environmental Research Institute, Box 358, Frederiksborgvej 399, 4000 Roskilde (Denmark)

    2010-01-15

    This paper contains a tentative suggestion of how to take into account the value of changes in price volatility in real world cost-benefit analyses. Price volatility is an important aspect of security of supply which first of all concerns physical availability, but assuming that consumers are risk averse, security of supply can also be viewed as a matter of avoiding oscillations in consumption originating from volatile prices of for instance oil. When the government makes transport-related choices on behalf of the consumers, the effect on oscillations in general consumption should be included in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport-related examples. They indicate that including the value of changes in price volatility often makes very little difference to the results of cost-benefit analyses, but more work has to be done on quantifying, among other things, consumers' risk aversion and the background standard deviation in total consumption before firm conclusions can be drawn.

  1. Incorporating the value of changes in price volatility into cost-benefit analysis. An application to oil prices in the transport sector

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Thomas C. [Department of Transport, Danish Technical University, Bygningstorvet 116 Vest, 2800 Lyngby (Denmark); Moeller, Flemming [National Environmental Research Institute, Box 358, Frederiksborgvej 399, 4000 Roskilde (Denmark)

    2010-01-15

    This paper contains a tentative suggestion of how to take into account the value of changes in price volatility in real world cost-benefit analyses. Price volatility is an important aspect of security of supply which first of all concerns physical availability, but assuming that consumers are risk averse, security of supply can also be viewed as a matter of avoiding oscillations in consumption originating from volatile prices of for instance oil. When the government makes transport-related choices on behalf of the consumers, the effect on oscillations in general consumption should be included in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport-related examples. They indicate that including the value of changes in price volatility often makes very little difference to the results of cost-benefit analyses, but more work has to be done on quantifying, among other things, consumers' risk aversion and the background standard deviation in total consumption before firm conclusions can be drawn. (author)

  2. Incorporating the value of changes in price volatility into cost-benefit analysis. An application to oil prices in the transport sector

    International Nuclear Information System (INIS)

    Jensen, Thomas C.; Moeller, Flemming

    2010-01-01

    This paper contains a tentative suggestion of how to take into account the value of changes in price volatility in real world cost-benefit analyses. Price volatility is an important aspect of security of supply which first of all concerns physical availability, but assuming that consumers are risk averse, security of supply can also be viewed as a matter of avoiding oscillations in consumption originating from volatile prices of for instance oil. When the government makes transport-related choices on behalf of the consumers, the effect on oscillations in general consumption should be included in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport-related examples. They indicate that including the value of changes in price volatility often makes very little difference to the results of cost-benefit analyses, but more work has to be done on quantifying, among other things, consumers' risk aversion and the background standard deviation in total consumption before firm conclusions can be drawn. (author)

  3. Biosensor discovery of thyroxine transport disrupting chemicals

    International Nuclear Information System (INIS)

    Marchesini, Gerardo R.; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J.

    2008-01-01

    Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds

  4. Biosensor discovery of thyroxine transport disrupting chemicals.

    Science.gov (United States)

    Marchesini, Gerardo R; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J

    2008-10-01

    Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds.

  5. Stability and `volatility ` of element 104 oxychloride

    Energy Technology Data Exchange (ETDEWEB)

    Eichler, B.; Gaeggeler, H.W. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    The formation enthalpies {Delta}H{sup *} of solid and gaseous oxychlorides of element 104 from free atoms were estimated by extrapolation. Stability and volatility of these compounds are compared to those of the homologous and neighbouring elements in the periodic system. It can be supposed that in a gas adsorption chromatographic process with oxygen containing chlorinating carrier gas the transport with the carrier gas flow occurs in the chemical state 104Cl{sub 4}. Only in the absorbed state the compound 104OCl{sub 2} is formed. (author) 1 fig., 3 refs.

  6. CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

    Science.gov (United States)

    Mcbride, B.

    1994-01-01

    Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

  7. Development of risk management strategies for state DOTs to effectively deal with volatile prices of transportation construction materials.

    Science.gov (United States)

    2014-06-01

    Volatility in price of critical materials used in transportation projects, such as asphalt cement, leads to : considerable uncertainty about project cost. This uncertainty may lead to price speculation and inflated : bid prices submitted by highway c...

  8. Nonvolatile, semivolatile, or volatile: redefining volatile for volatile organic compounds.

    Science.gov (United States)

    Võ, Uyên-Uyén T; Morris, Michael P

    2014-06-01

    Although widely used in air quality regulatory frameworks, the term "volatile organic compound" (VOC) is poorly defined. Numerous standardized tests are currently used in regulations to determine VOC content (and thus volatility), but in many cases the tests do not agree with each other, nor do they always accurately represent actual evaporation rates under ambient conditions. The parameters (time, temperature, reference material, column polarity, etc.) used in the definitions and the associated test methods were created without a significant evaluation of volatilization characteristics in real world settings. Not only do these differences lead to varying VOC content results, but occasionally they conflict with one another. An ambient evaporation study of selected compounds and a few formulated products was conducted and the results were compared to several current VOC test methodologies: SCAQMD Method 313 (M313), ASTM Standard Test Method E 1868-10 (E1868), and US. EPA Reference Method 24 (M24). The ambient evaporation study showed a definite distinction between nonvolatile, semivolatile, and volatile compounds. Some low vapor pressure (LVP) solvents, currently considered exempt as VOCs by some methods, volatilize at ambient conditions nearly as rapidly as the traditional high-volatility solvents they are meant to replace. Conversely, bio-based and heavy hydrocarbons did not readily volatilize, though they often are calculated as VOCs in some traditional test methods. The study suggests that regulatory standards should be reevaluated to more accurately reflect real-world emission from the use of VOC containing products. The definition of VOC in current test methods may lead to regulations that exclude otherwise viable alternatives or allow substitutions of chemicals that may limit the environmental benefits sought in the regulation. A study was conducted to examine volatility of several compounds and a few formulated products under several current VOC test

  9. Volatile Transport in Pluto's Super Seasons

    Science.gov (United States)

    Earle, Alissa M.; Binzel, Richard; Young, Leslie; Stern, S. Alan; Olkin, Catherine B.; Ennico, Kimberly; Moore, Jeffrey M.; Weaver, Harold A.; NASA New Horizons Composition Team, The NASA New Horizons GGI Team

    2016-10-01

    The data returned from NASA's New Horizons' reconnaissance of the Pluto system shows striking albedo variations from polar to equatorial latitudes as well as sharp boundaries for longitudinal variations. Pluto has a high obliquity (currently around 119 degrees) which varies by more than 23 degrees (between roughly 103 and 127 degrees) over a period of less than 3 million years. These obliquity properties, combined with Pluto's orbital regression in longitude of perihelion (360 degrees over 3.7 million years), create epochs of "Super Seasons" on Pluto. A "Super Season" occurs, for example, when Pluto happens to be pole-on towards the Sun at the same time as perihelion. In such a case, one pole experiences a short, intense summer (relative to its long-term average) followed by a longer than average period of winter darkness. By complement, the other pole experiences a much longer, but less intense summer and short winter season. We explore the relationship between albedo variations and volatile transport for the current epoch as well as historical epochs during which Pluto experienced these "Super Seasons". Our investigation suggests Pluto's orbit creates the potential for runaway albedo variations, particularly in the equatorial region, which would create and support stark longitudinal contrasts like the ones we see between the informally named Tombaugh and Cthulhu Regios.This work was supported by the NASA New Horizons mission.

  10. Cumulus parameterizations in chemical transport models

    Science.gov (United States)

    Mahowald, Natalie M.; Rasch, Philip J.; Prinn, Ronald G.

    1995-12-01

    Global three-dimensional chemical transport models (CTMs) are valuable tools for studying processes controlling the distribution of trace constituents in the atmosphere. A major uncertainty in these models is the subgrid-scale parametrization of transport by cumulus convection. This study seeks to define the range of behavior of moist convective schemes and point toward more reliable formulations for inclusion in chemical transport models. The emphasis is on deriving convective transport from meteorological data sets (such as those from the forecast centers) which do not routinely include convective mass fluxes. Seven moist convective parameterizations are compared in a column model to examine the sensitivity of the vertical profile of trace gases to the parameterization used in a global chemical transport model. The moist convective schemes examined are the Emanuel scheme [Emanuel, 1991], the Feichter-Crutzen scheme [Feichter and Crutzen, 1990], the inverse thermodynamic scheme (described in this paper), two versions of a scheme suggested by Hack [Hack, 1994], and two versions of a scheme suggested by Tiedtke (one following the formulation used in the ECMWF (European Centre for Medium-Range Weather Forecasting) and ECHAM3 (European Centre and Hamburg Max-Planck-Institut) models [Tiedtke, 1989], and one formulated as in the TM2 (Transport Model-2) model (M. Heimann, personal communication, 1992). These convective schemes vary in the closure used to derive the mass fluxes, as well as the cloud model formulation, giving a broad range of results. In addition, two boundary layer schemes are compared: a state-of-the-art nonlocal boundary layer scheme [Holtslag and Boville, 1993] and a simple adiabatic mixing scheme described in this paper. Three tests are used to compare the moist convective schemes against observations. Although the tests conducted here cannot conclusively show that one parameterization is better than the others, the tests are a good measure of the

  11. Transport of volatile organic compounds across the capillary fringe

    Science.gov (United States)

    McCarthy, Kathleen A.; Johnson, Richard L.

    1993-01-01

    Physical experiments were conducted to investigate the transport of a dissolved volatile organic compound (trichloroethylene, TCE) from shallow groundwater to the unsaturated zone under a variety of conditions including changes in the soil moisture profile and water table position. Experimental data indicated that at moderate groundwater velocities (0.1 m/d), vertical mechanical dispersion was negligible and molecular diffusion was the dominant vertical transport mechanism. Under these conditions, TCE concentrations decreased nearly 3 orders of magnitude across the capillary fringe and soil gas concentrations remained low relative to those of underlying groundwater. Data collected during a water table drop showed a short-term increase in concentrations throughout most of the unsaturated zone, but these concentrations quickly declined and approached initial values after the water table was returned to its original level. In the deep part of the unsaturated zone, the water table drop resulted in a long-term decrease in concentrations, illustrating the effects of hysteresis in the soil moisture profile. A two-dimensional random walk advection-diffusion model was developed to simulate the experimental conditions, and numerical simulations agreed well with experimental data. A simpler, one-dimensional finite-difference diffusion-dispersion model was also developed. One-dimensional simulations based on molecular diffusion also agreed well with experimental data. Simulations which incorporated mechanical dispersion tended to overestimate flux across the capillary fringe. Good agreement between the one- and two-dimensional models suggested that a simple, one-dimensional approximation of vertical transport across the capillary fringe can be useful when conditions are appropriate.

  12. Biosensor discovery of thyroxine transport disrupting chemicals

    NARCIS (Netherlands)

    Marchesini, G.R.; Meimaridou, A.; Haasnoot, W.; Meulenberg, E.; Albertus, F.; Mizuguchi, M.; Takeuchi, M.; Irth, H.; Murk, A.J.

    2008-01-01

    Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two

  13. UTMTOX, Toxic Chemical Transport in Atmosphere, Ground Water, Sediments

    International Nuclear Information System (INIS)

    1988-01-01

    A - Description of program or function: UTMTOX is a unified transport model for toxic materials. It combines hydrologic, atmospheric, and sediment transport in one computer code and extends the scope to predict the transport of not only trace metals but also many chemical compounds, including organics. UTMTOX is capable of calculating 1) the atmospheric dispersion of up to 20 chemicals from a maximum of 10 point, 10 line, and 10 area sources; 2) deposition of one chemical at a time in both wet and dry form on foliage or the surface of the earth; 3) surface flow and erosion; 4) percolation through the soil to a stream channel; and 5) flow in the stream channel to the outfall of a watershed. B - Method of solution: UTMTOX calculates rates of flux of chemicals from release to the atmosphere, through deposition on a watershed, infiltration, and runoff from the soil to flow in the stream channel and the associated sediment transport. From these values, mass balances can be established, budgets for the chemical can be made, and concentrations in many environmental compartments can be estimated. Since the coupling is established among three major submodels, they can share data

  14. A dynamic two-dimensional system for measuring volatile organic compound volatilization and movement in soils.

    Science.gov (United States)

    Allaire, S E; Yates, S R; Ernst, F F; Gan, J

    2002-01-01

    There is an important need to develop instrumentation that allows better understanding of atmospheric emission of toxic volatile compounds associated with soil management. For this purpose, chemical movement and distribution in the soil profile should be simultaneously monitored with its volatilization. A two-dimensional rectangular soil column was constructed and a dynamic sequential volatilization flux chamber was attached to the top of the column. The flux chamber was connected through a manifold valve to a gas chromatograph (GC) for real-time concentration measurement. Gas distribution in the soil profile was sampled with gas-tight syringes at selected times and analyzed with a GC. A pressure transducer was connected to a scanivalve to automatically measure the pressure distribution in the gas phase of the soil profile. The system application was demonstrated by packing the column with a sandy loam in a symmetrical bed-furrow system. A 5-h furrow irrigation was started 24 h after the injection of a soil fumigant, propargyl bromide (3-bromo-1-propyne; 3BP). The experience showed the importance of measuring lateral volatilization variability, pressure distribution in the gas phase, chemical distribution between the different phases (liquid, gas, and sorbed), and the effect of irrigation on the volatilization. Gas movement, volatilization, water infiltration, and distribution of degradation product (Br-) were symmetric around the bed within 10%. The system saves labor cost and time. This versatile system can be modified and used to compare management practices, estimate concentration-time indexes for pest control, study chemical movement, degradation, and emissions, and test mathematical models.

  15. Chemical diversity of microbial volatiles and their potential for plant growth and productivity

    Directory of Open Access Journals (Sweden)

    CHIDANANDA NAGAMANGALA KANCHISWAMY

    2015-03-01

    Full Text Available Microbial volatile organic compounds (MVOCs are produced by a wide array of microorganisms ranging from bacteria to fungi. A growing body of evidence indicates that MVOCs are ecofriendly and can be exploited as a cost-effective sustainable strategy for use in agricultural practice as agents that enhance plant growth, productivity and disease resistance. As naturally occurring chemicals, MVOCs have potential as possible alternatives to harmful pesticides, fungicides and bactericides as well as genetic modification. Recent studies performed under open field conditions demonstrate that efficiently adopting MVOCs may contribute to sustainable crop protection and production. We review here the chemical diversity of MVOCs and their potential physiological effects on crops and analyze potential and actual limitations for MVOC use as a sustainable strategy for improving productivity and reducing pesticide use.

  16. Determination of chemical solute transport parameters effecting radiostrontium interbed sediments

    International Nuclear Information System (INIS)

    Hemming, C.; Bunde, R.L.; Rosentreter, J.J.

    1993-01-01

    The extent to which radionuclides migrate in an aquifer system is a function of various physical, chemical, and biological processes. A measure of this migration rate is of primary concern when locating suitable storage sites for such species. Parameters including water-rock interactions, infiltration rates, chemical phase modification, and biochemical reactions all affect solute transport. While these different types of chemical reactions can influence solute transport in subsurface waters, distribution coefficients (Kd) can be send to effectively summarize the net chemical factors which dictate transport efficiency. This coefficient describes the partitioning of the solute between the solution and solid phase. Methodology used in determining and interpreting the distribution coefficient for radiostrontium in well characterized sediments will be presented

  17. Potential Signatures of Semi-volatile Compounds Associated With Nuclear Processing

    Energy Technology Data Exchange (ETDEWEB)

    Probasco, Kathleen M.; Birnbaum, Jerome C.; Maughan, A. D.

    2002-06-01

    Semi-volatile chemicals associated with nuclear processes (e.g., the reprocessing of uranium to produce plutonium for nuclear weapons, or the separation of actinides from processing waste streams), can provide sticky residues or signatures that will attach to piping, ducting, soil, water, or other surface media. Volatile compounds, that are more suitable for electro-optical sensing, have been well studied. However, the semi-volatile compounds have not been well documented or studied. A majority of these semi-volatile chemicals are more robust than typical gaseous or liquid chemicals and can have lifetimes of several weeks, months, or years in the environment. However, large data gaps exist concerning these potential signature compounds and more research is needed to fill these data gaps so that important signature information is not overlooked or discarded. This report investigates key semi-volatile compounds associated with nuclear separations, identifies available chemical and physical properties, and discusses the degradation products that would result from hydrolysis, radiolysis and oxidation reactions on these compounds.

  18. Phytotoxic Activity and Chemical Composition of Aqueous Volatile Fractions from Eucalyptus Species

    Science.gov (United States)

    Zhang, Jinbiao; An, Min; Wu, Hanwen; Liu, De Li; Stanton, Rex

    2014-01-01

    The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii) have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.). The aqueous volatile fractions (AVFs) were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions) during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph–mass spectrometry (GC-MS). Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species. PMID:24681490

  19. Phytotoxic activity and chemical composition of aqueous volatile fractions from Eucalyptus species.

    Directory of Open Access Journals (Sweden)

    Jinbiao Zhang

    Full Text Available The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.. The aqueous volatile fractions (AVFs were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph-mass spectrometry (GC-MS. Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species.

  20. It's the little things that matter most: The role of volatiles in volcanoes and their magmatic roots

    Science.gov (United States)

    Keller, T.; Suckale, J.

    2017-12-01

    Many volcanic eruptions are driven by volatiles - mostly H2O and CO2 - that degas from magmas rising up beneath the volcano. Gas expands during ascent, thus frequently creating lavas with upward of 50% vesicularity. That is a particularly compelling observation considering that volatiles are only present at concentrations of order 100 ppm in the mantle source. Yet, even at these small concentrations, volatiles significantly lower the peridotite solidus. That leads to the production of reactive volatile-rich melts at depth, which has important consequences for melt transport in the asthenosphere. Thus, volatiles have a pivotal role both at the beginning and the end of the magmatic storyline. A growing amount of observational evidence provides various perspectives on these systems. Volcanic products are characterised increasingly well by geochemical and petrological data. And, volcano monitoring now often provides continuous records of degassing flux and composition. What is missing to better interpret these data are coupled fluid mechanic and thermodynamic models that link melt production and reactive transport in the mantle and crust with degassing-driven volcanic activity at the surface. Such models need to describe the deformation and segregation of multiple material phases (liquids, solids, gases) and track the reactive transport of diverse chemical components (major elements, trace elements, volatiles). I will present progress towards a generalization of existing two-phase model for melt transport in the mantle, extending them to three-phase flows appropriate for magma circulation and degassing in volcanoes. What sets the two environments apart is the presence of a compressible vapor in volcanoes. Also, volcanic degassing may occur by convecting suspensions as well as porous segregation. The model framework we are developing for these processes is based on mixture theory. Uncovering the underlying physics that connects these diverse expressions of magma

  1. Relationships between boiling regimes and chemical concentration processes in tube support plate crevices

    International Nuclear Information System (INIS)

    Baum, A.

    2002-01-01

    The results of a test inter-relating crevice boiling regimes and chemical concentration in tube support plate crevices are presented. Testing of highly soluble, non-volatile autoclave chemistries produced characteristic crevice pH and impedance distributions during nucleate boiling, initiation of dryout, steady-state operation, and following shutdown. However, the patterns changed as a function of the solubility and volatility of the autoclave chemistry, the solute concentration, and the presence of residual solutes from previous testing. The changes were related to variations in the rates of concentrated solution formation, transport, volatilization, and precipitation. (authors)

  2. Human skin volatiles: a review.

    Science.gov (United States)

    Dormont, Laurent; Bessière, Jean-Marie; Cohuet, Anna

    2013-05-01

    Odors emitted by human skin are of great interest to biologists in many fields; applications range from forensic studies to diagnostic tools, the design of perfumes and deodorants, and the ecology of blood-sucking insect vectors of human disease. Numerous studies have investigated the chemical composition of skin odors, and various sampling methods have been used for this purpose. The literature shows that the chemical profile of skin volatiles varies greatly among studies, and the use of different sampling procedures is probably responsible for some of these variations. To our knowledge, this is the first review focused on human skin volatile compounds. We detail the different sampling techniques, each with its own set of advantages and disadvantages, which have been used for the collection of skin odors from different parts of the human body. We present the main skin volatile compounds found in these studies, with particular emphasis on the most frequently studied body regions, axillae, hands, and feet. We propose future directions for promising experimental studies on odors from human skin, particularly in relation to the chemical ecology of blood-sucking insects.

  3. Chemical controls on subsurface radionuclide transport

    International Nuclear Information System (INIS)

    King, K.J.; Killey, R.W.D.

    1990-01-01

    Chemical and biochemical processes can affect the movement of contaminants in groundwater. Materials can be almost completely removed from circulation by processes such as precipitation and coprecipitation. Organic compounds or contaminants that are hazardous may be degraded or formed during groundwater transport. Studies at the Chalk River Laboratories of AECL have focused on radionuclide transport, although other contaminants have been and are being investigated. This paper summarizes findings from research that extends back more than 30 years. Much of the work on reactive contaminant transport has centered on 90 Sr; other contaminants have also been considered, however, and features of their behaviour are also reviewed. (25 refs., 5 figs., 4 tabs.)

  4. VOLATILIZATION RATES FROM WATER TO INDOOR AIR ...

    Science.gov (United States)

    Contaminated water can lead to volatilization of chemicals to residential indoor air. Previous research has focused on only one source (shower stalls) and has been limited to chemicals in which gas-phase resistance to mass transfer is of marginal significance. As a result, attempts to extrapolate chemical emissions from high-volatility chemicals to lower volatility chemicals, or to sources other than showers, have been difficult or impossible. This study involved the development of two-phase, dynamic mass balance models for estimating chemical emissions from washing machines, dishwashers, and bathtubs. An existing model was adopted for showers only. Each model required the use of source- and chemical-specific mass transfer coefficients. Air exchange (ventilation) rates were required for dishwashers and washing machines as well. These parameters were estimated based on a series of 113 experiments involving 5 tracer chemicals (acetone, ethyl acetate, toluene, ethylbenzene, and cyclohexane) and 4 sources (showers, bathtubs, washing machines, and dishwashers). Each set of experiments led to the determination of chemical stripping efficiencies and mass transfer coefficients (overall, liquid-phase, gas-phase), and to an assessment of the importance of gas- phase resistance to mass transfer. Stripping efficiencies ranged from 6.3% to 80% for showers, 2.6% to 69% for bathtubs, 18% to 100% for dishwashers, and 3.8% to 100% for washing machines. Acetone and cyclohexane al

  5. Xe isotopic constraints on cycling of deep Earth volatiles

    Science.gov (United States)

    Parai, R.; Mukhopadhyay, S.

    2017-12-01

    The modern deep Earth volatile budget reflects primordial volatiles delivered during accretion, radiogenic ingrowth of volatile species (e.g., 40Ar produced by 40K decay), outgassing in association with mantle processing, and regassing via subduction. The noble gases are unique volatile tracers in that they are chemically inert, but are thought to be trapped within hydrous alteration phases in downwelling lithologies. Noble gases thus provide a tracer of volatile transport between the deep Earth and surface reservoirs. Constraints on the fluxes of noble gases between deep Earth and surface reservoirs over time can accordingly be used to provide insight into temperature conditions at subduction zones, limits on volatile cycling, and the evolving distribution of major volatile species in terrestrial reservoirs over time. Xe isotope systematics in mantle-derived rocks show that 80-90% of the mantle Xe budget is derived from recycling of atmospheric Xe, indicating that atmospheric Xe is retained in subducting slabs beyond depths of magma generation in subduction zones over Earth history. We present an integrated model of Xe cycling between the mantle and atmosphere in association with mantle processing over Earth history. We test a wide variety of outgassing and regassing rates and take the evolution of the atmospheric Xe isotopic composition [e.g., 1] into account. Models in which the deep Earth transitions from a net outgassing to net regassing regime best satisfy Xe isotopic constraints from mantle-derived rocks [2-6]. [1] Avice et al., 2017; Nature Communications, 8; [2] Mukhopadhyay, 2012, Nature 486, 101-104; [3] Parai et al., 2012, EPSL 359-360, 227-239; [4] Parai and Mukhopadhay, 2015, G-cubed 16, 719-735; [5] Peto et al., 2013, EPSL 369-370, 13-23; [6] Tucker et al., 2012, EPSL 355-356, 244-254.

  6. Fundamental aspects of plasma chemical physics transport

    CERN Document Server

    Capitelli, Mario; Laricchiuta, Annarita

    2013-01-01

    Fundamental Aspects of Plasma Chemical Physics: Tranpsort develops basic and advanced concepts of plasma transport to the modern treatment of the Chapman-Enskog method for the solution of the Boltzmann transport equation. The book invites the reader to consider actual problems of the transport of thermal plasmas with particular attention to the derivation of diffusion- and viscosity-type transport cross sections, stressing the role of resonant charge-exchange processes in affecting the diffusion-type collision calculation of viscosity-type collision integrals. A wide range of topics is then discussed including (1) the effect of non-equilibrium vibrational distributions on the transport of vibrational energy, (2) the role of electronically excited states in the transport properties of thermal plasmas, (3) the dependence of transport properties on the multitude of Saha equations for multi-temperature plasmas, and (4) the effect of the magnetic field on transport properties. Throughout the book, worked examples ...

  7. Study of chemical changes in pasteurised orange juice during shelf-life: A fingerprinting-kinetics evaluation of the volatile fraction.

    Science.gov (United States)

    Wibowo, Scheling; Grauwet, Tara; Kebede, Biniam Tamiru; Hendrickx, Marc; Van Loey, Ann

    2015-09-01

    The current work used fingerprinting-kinetics for the first time to monitor shelf-life changes in a low-pH, pasteurised, shelf-stable product, more particular in orange juice. Orange juice samples were stored as a function of time at four different storage temperatures (20, 28, 35 and 42°C). To obtain insight into chemical changes in the volatile food fraction, samples were fingerprinted with headspace GC-MS. The objectives of this work were twofold: (i) to identify major chemical changes of pasteurised orange juice during shelf-life and (ii) to study the kinetics of selected shelf-life compounds in the context of accelerated shelf-life testing (ASLT). At 20°C, changes in terpenes and a decrease in aldehydes were observed. Oxides and sulphur compounds increased and esters decreased at increased storage temperatures (at 28°C and above). Concerning ASLT, four volatile compounds had clear temperature and time dependent kinetics within the investigated temperature range. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Metabolic engineering of volatile isoprenoids in plants and microbes.

    Science.gov (United States)

    Vickers, Claudia E; Bongers, Mareike; Liu, Qing; Delatte, Thierry; Bouwmeester, Harro

    2014-08-01

    The chemical properties and diversity of volatile isoprenoids lends them to a broad variety of biological roles. It also lends them to a host of biotechnological applications, both by taking advantage of their natural functions and by using them as industrial chemicals/chemical feedstocks. Natural functions include roles as insect attractants and repellents, abiotic stress protectants in pathogen defense, etc. Industrial applications include use as pharmaceuticals, flavours, fragrances, fuels, fuel additives, etc. Here we will examine the ways in which researchers have so far found to exploit volatile isoprenoids using biotechnology. Production and/or modification of volatiles using metabolic engineering in both plants and microorganisms are reviewed, including engineering through both mevalonate and methylerythritol diphosphate pathways. Recent advances are illustrated using several case studies (herbivores and bodyguards, isoprene, and monoterpene production in microbes). Systems and synthetic biology tools with particular utility for metabolic engineering are also reviewed. Finally, we discuss the practical realities of various applications in modern biotechnology, explore possible future applications, and examine the challenges of moving these technologies forward so that they can deliver tangible benefits. While this review focuses on volatile isoprenoids, many of the engineering approaches described here are also applicable to non-isoprenoid volatiles and to non-volatile isoprenoids. © 2014 John Wiley & Sons Ltd.

  9. Potential for Intermodal Transport of Chemical Goods in Slovakia

    Directory of Open Access Journals (Sweden)

    Jagelčák Juraj

    2017-01-01

    Full Text Available This article deals with intermodal transport of chemical goods in Slovak republic. Analysis is based on information from interviews with companies and logistics service providers. The first part of the article describes importance of Intermodal transport and basic transport routes for intermodal transport. Respondents considered advantages and disadvantages of intermodal transport. Possible improvements inside companies and improvements of external framework conditions to promote modal shift are described in the second part of the paper.

  10. An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

    Science.gov (United States)

    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

  11. Atmospheric fate of non volatile and ionizable compounds

    DEFF Research Database (Denmark)

    Franco, Antonio; Hauschild, Michael Zwicky; Jolliet, Olivier

    2011-01-01

    , and the parameters describing air–water partitioning (KAW and temperature) and ionization (pKa and pH) are the key parameters determining the potential for long range transport. Wet deposition is an important removal process, but its efficiency is limited, primarily by the duration of the dry period between...... simulations describing the uncertainty of substance and environmental input properties were run to evaluate the impact of atmospheric parameters, ionization and air–water (or air–ice) interface enrichment. The rate of degradation and the concentration of OH radicals, the duration of dry and wet periods...... precipitation events. Given the underlying model assumptions, the presence of clouds contributes to the higher persistence in the troposphere because of the capacity of cloud water to accumulate and transport non-volatile (e.g.2,4-D) and surface-active chemicals (e.g. PFOA). This limits the efficiency of wet...

  12. Evolution of Volatile Compounds during the Distillation of Cognac Spirit.

    Science.gov (United States)

    Awad, Pierre; Athès, Violaine; Decloux, Martine Esteban; Ferrari, Gérald; Snakkers, Guillaume; Raguenaud, Patrick; Giampaoli, Pierre

    2017-09-06

    Cognac wine spirit has a complex composition in volatile compounds which contributes to its organoleptic profile. This work focused on the batch distillation process and, in particular, on volatile compounds specifically produced by chemical reactions during the distillation of Cognac wine spirit, traditionally conducted in two steps with charentais pot stills. The aim of this study was to characterize these volatile compounds formed during distillation. Sampling has been performed on the distillates and inside the boiler during a typical Cognac distillation. The analysis of these samples allowed us to perform a mass balance and to point out several types of volatile compounds whose quantities strongly increased during the distillation process. These compounds were distinguished by their chemical family. It has been found that the first distillation step was decisive for the formation of volatile compounds. Moreover, 2 esters, 3 aldehydes, 12 norisoprenoids, and 3 terpenes were shown to be generated during the process. These results suggest that some volatile compounds found in Cognac spirit are formed during distillation due to chemical reactions induced by high temperature. These findings give important indications to professional distillers in order to enhance the product's quality.

  13. Volatilization and reaction of fission products in flowing steam

    International Nuclear Information System (INIS)

    Johnson, I.; Steidl, D.V.; Johnson, C.E.

    1985-01-01

    The principal risk to the public from nuclear power plants derives from the highly radioactive atoms (fission products) generated as energy is produced in the nuclear fuel. The revolatilization of fission products from reactor system surfaces due to self-heating by radioactive decay has become a complicating factor in the source-term redefinition effort. It has had a major impact on calculations of fission product distributions in accident safety analyses. The focus of this research effort was to investigate the volatilization and transport of fission products and control rod materials in a flowing gaseous steam-hydrogen mixture. Fission product and control rod materials in various combinations were studied including CsI, CsOH, TeO 2 , SrO, Ag, In, Cd and Mn. The vaporization behavior of the deposits were characterized with respect to vaporization rates, chemical species and downstream transport behavior

  14. Volatile components and continental material of planets

    International Nuclear Information System (INIS)

    Florenskiy, K.P.; Nikolayeva, O.V.

    1984-01-01

    It is shown that the continental material of the terrestrial planets varies in composition from planet to planet according to the abundances and composition of true volatiles (H 2 0, CO 2 , etc.) in the outer shells of the planets. The formation of these shells occurs very early in a planet's evolution when the role of endogenous processes is indistinct and continental materials are subject to melting and vaporizing in the absence of an atmosphere. As a result, the chemical properties of continental materials are related not only to fractionation processes but also to meltability and volatility. For planets retaining a certain quantity of true volatile components, the chemical transformation of continental material is characterized by a close interaction between impact melting vaporization and endogeneous geological processes

  15. Exposure to volatile organic compounds: Comparison among different transportation modes

    Science.gov (United States)

    Do, Duc Hoai; Van Langenhove, Herman; Chigbo, Stephen Izuchukwu; Amare, Abebech Nuguse; Demeestere, Kristof; Walgraeve, Christophe

    2014-09-01

    The increasing trend of promoting public transportation (bus tram, metro, train) and more environmental friendly and sustainable non fossil-fuel alternatives (walking, cycling etc) as substitutes for auto vehicles brings forward new questions with regard to pollutant levels to which commuters are exposed. In this study, three transportation modes (tram, auto vehicle and bicycle) are studied and concentration levels of 84 volatile organic compounds (VOCs) (hydrocarbons, aromatic hydrocarbons, oxygen containing hydrocarbons, terpenes and halogenated compounds) are measured along a route in the city of Ghent, Belgium. The concentration levels are obtained by active sampling on Tenax TA sorbent tubes followed by thermal desorption gas chromatography mass spectrometry (TD-GC-MS) using deuterated toluene as an internal standard. The median total VOC concentrations for the tram mode (33 μg/m³) is 1.7 times higher than that of the bicycle mode (20 μg/m³) and 1.5 times higher than for the car mode (22 μg/m³). It is found that aromatic hydrocarbons account for a significant proportion in the total VOCs concentration (TVOCs) being as high as 41-57%, 59-72% and 58-72% for the tram, car and bicycle respectively. In all transportation modes, there was a high (r > 0.6) degree of correlation between BTEX compounds, isopropylbenzene, n-propylbenzene, 1,3,5-trimethylbenzene and 1,2,4-trimethylbenzene. When comparing time weighed average concentrations along a fixed route in Ghent, it is found that commuters using the tram mode experience the highest TVOCs concentration levels. However, next to the concentration level to which commuters are exposed, the physical activity level involving the mode of transportation is important to assess the exposure to toxic VOCs. It is proven that the commuter using a bicycle (4.3 ± 1.5 μg) inhales seven and nine times more benzene compared to the commuter using the car and tram respectively, when the same route is followed.

  16. The impact of the fuel chemical composition on volatile organic compounds emitted by an in-service aircraft gas turbine engine

    Science.gov (United States)

    Setyan, A.; Kuo, Y. Y.; Brem, B.; Durdina, L.; Gerecke, A. C.; Heeb, N. V.; Haag, R.; Wang, J.

    2017-12-01

    Aircraft emissions received increased attention recently because of the steady growth of aviation transport in the last decades. Aircraft engines substantially contribute to emissions of particulate matter and gaseous pollutants in the upper and lower troposphere. Among all the pollutants emitted by aircrafts, volatile organic compounds (VOCs) are particularly important because they are mainly emitted at ground level, posing a serious health risk for people living or working near airports. A series of measurements was performed at the aircraft engine testing facility of SR Technics (Zürich airport, Switzerland). Exhausts from an in-service turbofan engine were sampled at the engine exit plane by a multi-point sampling probe. A wide range of instruments was connected to the common sampling line to determine physico-chemical characteristics of non-volatile particulate matter and gaseous pollutants. Conventional Jet A-1 fuel was used as the base fuel, and measurements were performed with the base fuel doped with two different mixtures of aromatic compounds (Solvesso 150 and naphthalene-depleted Solvesso 150) and an alternative fuel (hydro-processed esters and fatty acids [HEFA] jet fuel). During this presentation, we will show results obtained for VOCs. These compounds were sampled with 3 different adsorbing cartridges, and analyzed by thermal desorption gas chromatography/mass spectrometry (TD-GC/MS, for Tenax TA and Carboxen 569) and by ultra-performance liquid chromatography/ mass spectrometry (UPLC/MS, for DNPH). The total VOC concentration was also measured with a flame ionization detector (FID). In addition, fuel samples were also analyzed by GC/MS, and their chemical compositions were compared to the VOCs emitted via engine exhaust. Total VOCs concentrations were highest at ground idle (>200 ppm C at 4-7% thrust), and substantially lower at high thrust (engine were mainly constituted of alkanes, oxygenated compounds, and aromatics. More than 50 % of the

  17. Capture of Nontarget Flies (Diptera: Lauxaniidae, Chloropidae, and Anthomyiidae on Traps Baited with Volatile Chemicals in Field-Crop Habitats

    Directory of Open Access Journals (Sweden)

    Louis S. Hesler

    2016-01-01

    Full Text Available Volatile chemicals increased trap catch of flies from the families Lauxaniidae [Homoneura bispina (Loew and Camptoprosopella borealis Shewell], Chloropidae (Olcella sp., and Anthomyiidae (Delia spp. in field crops. With lauxaniids, baiting with 2-phenylethanol on cotton-roll dispensers increased catch of H. bispina in two corn plot tests, and methyl salicylate increased trap catch in one test. Traps baited with methyl salicylate increased the catch of C. borealis. When using plastic-sachet dispensers, traps baited with methyl salicylate caught more H. bispina than ones baited with 2-phenylethanol, whereas traps baited with 2-phenylethanol caught more C. borealis than those with methyl salicylate. For chloropids, traps baited with 2-isopropyl-3-methoxypyrazine greatly increased catch of Olcella flies in corn and soybean. With anthomyiids, catch of male Delia flies in wheat increased with 2-phenylethanol on cotton rolls and with either 2-phenylethanol or methyl salicylate using plastic dispensers. In soybean, 2-phenylethanol formulated on cotton rolls or in plastic dispensers increased catch of male Delia flies, but methyl salicylate did not affect trap catch. Trap catch of female Delia flies did not vary among chemicals. In another test in soybean, trap catch of both male and female Delia flies was greater with 2-phenylethanol than with other volatile chemicals.

  18. Volatile constituents from Baccharis spp. L. (Asteraceae): Chemical support for the conservation of threatened species in Uruguay.

    Science.gov (United States)

    Minteguiaga, Manuel; Andrés González, H; Cassel, Eduardo; Umpierrez, Noelia; Fariña, Laura; Dellacassa, Eduardo

    2018-03-14

    Chemical bioprospecting is an important tool for generating knowledge regarding local human-threatened floras and for conservation management. For Baccharis L. (Asteraceae), several volatile components have been reported for Brazil, Argentina, Bolivia, and Chile as a result of bioprospection, but not for Uruguayan flora, which is composed of more than 50 native species. In this work, through collection of aerial parts of different species and volatile simultaneous-distillation extraction and gas chromatography-mass spectrometry analyses, 12 native species of Baccharis were studied (B. articulata, B. cultrata, B. genistifolia, B. gibertii, B. gnaphalioides, B. ochracea, B. phyteumoides, B. punctulata, B. crispa, B. dracunculifolia, B. linearifolia subsp. linearifolia, and B. spicata). A detailed analysis of the male and female volatile composition was conducted for the last four species. The profiles of B. cultrata, B. genistifolia, B. gibertii, and B. gnaphalioides are reported for the first time. Because half of the species analysed in this work are in Uruguay and are threatened or potentially threatened by human economic activities, the importance of their conservation as natural, sustainable resources is highlighted. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  19. Toward a comprehensive model of chemical transport in porous media

    International Nuclear Information System (INIS)

    Miller, C.W.

    1983-02-01

    A chemical transport model, CHEMTRN, that includes advection, dispersion/diffusion, complexation, sorption, precipitation or dissolution of solids, and the dissociation of water has been written. The transport, mass action and site constraint equations are written in a differential/algebraic form and solved simultaneously. The sorption process is modelled by either ion-exchange or surface complexation. The model has been used to investigate the applicability of a k/sub D/ model for simulating the transport of chemical species in groundwater systems, to simulate precipitation/dissolution of minerals, and to consider the effect of surface complexation on sorption

  20. Chemical composition of the semi-volatile grains of comet 67P/Churyumov-Gerasimenko

    Science.gov (United States)

    Wurz, Peter; Altwegg, Kathrin; Balsiger, Hans; Berthelier, Jean-Jacques; Bieler, André; Calmonte, Ursina; De Keyser, Johan; Fiethe, Björn; Fuselier, Stefan; Gasc, Sébastien; Gombosi, Tamas; Jäckel, Annette; Korth, Axel; Le Roy, Lena; Mall, Urs; Rème, Henri; Rubin, Martin; Tzou, Chia-Yu

    2017-04-01

    The European Space Agency's Rosetta spacecraft (Glassmeier et al., 2007) has been in orbit of the comet 67P/Churyumov-Gerasimenko (67P/C-G) since August 2014. On board is the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) instrument suite (Balsiger et al., 2007). ROSINA consists of two mass spectrometers, the Double Focusing Mass Spectrometer (DFMS) and the Reflectron-type Time-Of-Flight (RTOF) (Scherer et al., 2006), as well as the COmet Pressure Sensor (COPS). ROSINA is designed to detect and monitor the neutral gas and thermal plasma environment in the comet's coma by in situ investigation. The two mass spectrometers have high dynamic ranges and complement each other with high mass resolution (DFMS) and high time resolution and large mass range (RTOF). Especially the unprecedented sensitivity and mass resolution of DFMS together with the large mass range of RTOF allow determining precisely light species (e.g. isotopologues) as well as detecting heavy organic species. The pressure sensor COPS measures total gas densities, bulk velocities, and gas temperatures. ROSINA has been collecting data on the composition of the coma and activity of the comet from 3.5 AU to pericentre and out again to 3.5 AU. The Rosetta mission presents a unique opportunity to directly sample the parent species in the thin cometary atmosphere of a Kuiper-belt object at distances in excess of 2.5 AU from the Sun all the way to the pericentre of the cometary orbit at 1.24 AU. The ROSINA experiment continuously measured the chemical composition of the gases in the cometary coma. Occasionally, a dust grain of cometary origin enters the ion source of a ROSINA instrument where the volatile part evaporates since these ion sources are hot. We will report on the first measurements of the volatile inventory of such dust grains. Volatile release from cometary dust grains was observed with all three ROSINA instruments on several occasions. Because the volatile content of such a dust

  1. Currently Commercially Available Chemical Sensors Employed for Detection of Volatile Organic Compounds in Outdoor and Indoor Air

    OpenAIRE

    Bartosz Szulczyński; Jacek Gębicki

    2017-01-01

    The paper presents principle of operation and design of the most popular chemical sensors for measurement of volatile organic compounds (VOCs) in outdoor and indoor air. It describes the sensors for evaluation of explosion risk including pellistors and IR-absorption sensors as well as the sensors for detection of toxic compounds such as electrochemical (amperometric), photoionization and semiconductor with solid electrolyte ones. Commercially available sensors for detection of VOCs and their ...

  2. Modeling long-term uptake and re-volatilization of semi-volatile organic compounds (SVOCs) across the soil-atmosphere interface.

    Science.gov (United States)

    Bao, Zhongwen; Haberer, Christina; Maier, Uli; Beckingham, Barbara; Amos, Richard T; Grathwohl, Peter

    2015-12-15

    Soil-atmosphere exchange is important for the environmental fate and atmospheric transport of many semi-volatile organic compounds (SVOCs). This study focuses on modeling the vapor phase exchange of semi-volatile hydrophobic organic pollutants between soil and the atmosphere using the multicomponent reactive transport code MIN3P. MIN3P is typically applied to simulate aqueous and vapor phase transport and reaction processes in the subsurface. We extended the code to also include an atmospheric boundary layer where eddy diffusion takes place. The relevant processes and parameters affecting soil-atmosphere exchange were investigated in several 1-D model scenarios and at various time scales (from years to centuries). Phenanthrene was chosen as a model compound, but results apply for other hydrophobic organic compounds as well. Gaseous phenanthrene was assumed to be constantly supplied to the system during a pollution period and a subsequent regulation period (with a 50% decline in the emission rate). Our results indicate that long-term soil-atmosphere exchange of phenanthrene is controlled by the soil compartment - re-volatilization thus depends on soil properties. A sensitivity analysis showed that accumulation and transport in soils in the short term is dominated by diffusion, whereas in the long term groundwater recharge and biodegradation become relevant. As expected, sorption causes retardation and slows down transport and biodegradation. If atmospheric concentration is reduced (e.g. after environmental regulations), re-volatilization from soil to the atmosphere occurs only for a relatively short time period. Therefore, the model results demonstrate that soils generally are sinks for atmospheric pollutants. The atmospheric boundary layer is only relevant for time scales of less than one month. The extended MIN3P code can also be applied to simulate fluctuating concentrations in the atmosphere, for instance due to temperature changes in the topsoil. Copyright

  3. Volatile Organic Compunds (Environmental Health Student Portal)

    Science.gov (United States)

    ... Weather Health Effects Take Action Water Pollution Water Pollution Home Chemicals and Pollutants Natural Disasters Drinking Water Waterborne Diseases & Illnesses Water Cycle Water Treatment Videos Games Experiments For Teachers Home Chemicals Volatile ...

  4. Hazard Assessment on Chlorine Distribution Use of Chemical Transportation Risk Index

    International Nuclear Information System (INIS)

    Kim, Jeong Gon; Byun, Hun Soo

    2014-01-01

    Chlorine is one of the most produced and most used non-flammable chemical substances in the world even though its toxicity and high reactivity cause the ozone layer depletion. However, in modern life, it is impossible to live a good life without using Chlorine and its derivatives since they are being used as an typical ingredient in more than 40 percent of the manufactured goods including medicines, detergents, deodorant, fungicides, herbicides, insecticides, and plastic, etc. Even if Chlorine has been handled and distributed in various business (small and medium-sized businesses, water purification plants, distribution company, etc.), there have been few researches about its possible health hazard and transportation risks. Accordingly, the purpose of this paper is to make a detailed assessment of Chlorinerelated risks and to model an index of chemicals transportation risks that is adequate for domestic circumstances. The assessment of possible health hazard and transportation risks was made on 13 kinds of hazardous chemicals, including liquid chlorine. This research may be contributed to standardizing the risk assessment of Chlorine and other hazardous chemicals by using an index of transportation risks

  5. Hazard Assessment on Chlorine Distribution Use of Chemical Transportation Risk Index

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jeong Gon [Hanwha Chemical Ulsan Site, Ulsan (Korea, Republic of); Byun, Hun Soo [Chonnam National University, Yeosu (Korea, Republic of)

    2014-12-15

    Chlorine is one of the most produced and most used non-flammable chemical substances in the world even though its toxicity and high reactivity cause the ozone layer depletion. However, in modern life, it is impossible to live a good life without using Chlorine and its derivatives since they are being used as an typical ingredient in more than 40 percent of the manufactured goods including medicines, detergents, deodorant, fungicides, herbicides, insecticides, and plastic, etc. Even if Chlorine has been handled and distributed in various business (small and medium-sized businesses, water purification plants, distribution company, etc.), there have been few researches about its possible health hazard and transportation risks. Accordingly, the purpose of this paper is to make a detailed assessment of Chlorinerelated risks and to model an index of chemicals transportation risks that is adequate for domestic circumstances. The assessment of possible health hazard and transportation risks was made on 13 kinds of hazardous chemicals, including liquid chlorine. This research may be contributed to standardizing the risk assessment of Chlorine and other hazardous chemicals by using an index of transportation risks.

  6. Coupling between solute transport and chemical reactions models. Acoplamiento de modelos de transporte de solutos y de modelos de reacciones quimicas

    Energy Technology Data Exchange (ETDEWEB)

    Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.

  7. Ballistic transport in graphene grown by chemical vapor deposition

    NARCIS (Netherlands)

    Calado, V.E.; Zhu, S.E.; Goswami, S.; Xu, Q.; Watanabe, K.; Taniguchi, T.; Janssen, G.C.A.M.; Vandersypen, L.M.K.

    2014-01-01

    In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be

  8. Composition control of low-volatile solids through chemical vapor transport reactions. III. The example of gallium monoselenide: Control of the polytypic structure, non-stoichiometry and properties

    International Nuclear Information System (INIS)

    Zavrazhnov, A.; Naumov, A.; Sidey, V.; Pervov, V.

    2012-01-01

    Highlights: ► This work is devoted to the composition control of solids with selective CVT method. ► Phase identity and non-stoichiometry of solids (GaSe, etc.) depend on CVT-temperatures. ► The interrelation between the properties of GaSe and CVT conditions is also found. ► For iodide transporting system the diagram of phase stability of solids is adjusted. ► High temperatures and Se-rich non-stoichiometry are necessary for γ-GaSe stability. - Abstract: By means of particular examples, the present work demonstrates the possibility of directed delicate non-destructive control of structure, composition and properties of inorganic solids using the method of selective chemical vapor transport (SCVT). Gallium monoselenide GaSe is the main model object. Additional, though less detailed, explanation is given by the example of gallium monosulfide GaS. Experimental evidences on the possibility of the control of polytypic structure, non-stoichiometry and properties of gallium monoselenide were obtained in non-isothermal variant of selective chemical vapor transport which has non-destructive character. Diagnostics of the phase (polytypic) composition and non-stoichiometry of GaSe was performed with the use of X-ray diffractometry as well as with the use of cathode luminescence spectra. It was experimentally found that there exists a connection of non-stoichiometry and the properties of gallium selenides with the determining conditions of selective chemical vapor transport: temperature of controlled sample (T 2 ) and the difference of temperatures between the hot and cold zones (ΔT). It is shown that the phase diagram of Ga–Se system needs to be partially revised near the composition of Ga 1 Se 1 . The reason for such revision is the fact that two polytypes (ε-GaSe and γ-GaSe) exist on this phase diagram as independent phases.

  9. Effects of coupled thermal, hydrological and chemical processes on nuclide transport

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1987-03-01

    Coupled thermal, hydrological and chemical processes can be classified in two categories. One category consists of the ''Onsager'' type of processes driven by gradients of thermodynamic state variables. These processes occur simultaneously with the direct transport processes. In particular, thermal osmosis, chemical osmosis and ultrafiltration may be prominent in semipermeable materials such as clays. The other category consists of processes affected indirectly by magnitudes of thermodynamic state variables. An important example of this category is the effect of temperature on rates of chemical reactions and chemical equilibria. Coupled processes in both categories may affect transport of radionuclides. Although computational models of limited extent have been constructed, there exists no model that accounts for the full set of THC-coupled processes. In the category of Onsager coupled processes, further model development and testing is severely constrained by a deficient data base of phenomenological coefficients. In the second category, the lack of a general description of effects of heterogeneous chemical reactions on permeability of porous media inhibits progress in quantitative modeling of hydrochemically coupled transport processes. Until fundamental data necessary for further model development have been acquired, validation efforts will be limited necessarily to testing of incomplete models of nuclide transport under closely controlled experimental conditions. 34 refs., 2 tabs

  10. Incorporating the value of changes in price volatility into cost-benefit analysis-an application to oil prices in the transport sector

    DEFF Research Database (Denmark)

    Jensen, Thomas Christian; Møller, Flemming

    2010-01-01

    in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport...

  11. Towards electron transport measurements in chemically modified graphene: effect of a solvent

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, Arnhild; Ensslin, Klaus [Solid State Physics Laboratory, ETH Zurich (Switzerland); Koehler, Fabian M; Stark, Wendelin J, E-mail: arnhildj@phys.ethz.ch, E-mail: fabian.koehler@chem.ethz.ch [Institute for Chemical and Bioengineering, ETH Zurich (Switzerland)

    2010-12-15

    The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

  12. Towards electron transport measurements in chemically modified graphene: effect of a solvent

    International Nuclear Information System (INIS)

    Jacobsen, Arnhild; Ensslin, Klaus; Koehler, Fabian M; Stark, Wendelin J

    2010-01-01

    The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

  13. Experimental outgassing of toxic chemicals to simulate the characteristics of hazards tainting globally shipped products.

    Directory of Open Access Journals (Sweden)

    Lygia Therese Budnik

    Full Text Available Ambient monitoring analyses may identify potential new public health hazards such as residual levels of fumigants and industrial chemicals off gassing from products and goods shipped globally. We analyzed container air with gas chromatography coupled to mass spectrometry (TD-2D-GC-MS/FPD and assessed whether the concentration of the volatiles benzene and 1,2-dichloroethane exceeded recommended exposure limits (REL. Products were taken from transport containers and analyzed for outgassing of volatiles. Furthermore, experimental outgassing was performed on packaging materials and textiles, to simulate the hazards tainting from globally shipped goods. The mean amounts of benzene in analyzed container air were 698-fold higher, and those of ethylene dichloride were 4.5-fold higher than the corresponding REL. More than 90% of all containers struck with toluene residues higher than its REL. For 1,2-dichloroethane 53% of containers, transporting shoes exceeded the REL. In standardized experimental fumigation of various products, outgassing of 1,2-dichloroethane under controlled laboratory conditions took up to several months. Globally produced transported products tainted with toxic industrial chemicals may contribute to the mixture of volatiles in indoor air as they are likely to emit for a long period. These results need to be taken into account for further evaluation of safety standards applying to workers and consumers.

  14. Characterizing the Smell of Marijuana by Odor Impact of Volatile Compounds: An Application of Simultaneous Chemical and Sensory Analysis.

    Directory of Open Access Journals (Sweden)

    Somchai Rice

    Full Text Available Recent U.S. legislation permitting recreational use of marijuana in certain states brings the use of marijuana odor as probable cause for search and seizure to the forefront of forensic science, once again. This study showed the use of solid-phase microextraction with multidimensional gas chromatography--mass spectrometry and simultaneous human olfaction to characterize the total aroma of marijuana. The application of odor activity analysis offers an explanation as to why high volatile chemical concentration does not equate to most potent odor impact of a certain compound. This suggests that more attention should be focused on highly odorous compounds typically present in low concentrations, such as nonanal, decanol, o-cymene, benzaldehyde, which have more potent odor impact than previously reported marijuana headspace volatiles.

  15. Fusarium oxysporum volatiles enhance plant growth via affecting auxin transport and signaling

    Directory of Open Access Journals (Sweden)

    Vasileios eBitas

    2015-11-01

    Full Text Available Volatile organic compounds (VOCs have well-documented roles in plant-plant communication and directing animal behavior. In this study, we examine the less understood roles of VOCs in plant-fungal relationships. Phylogenetically and ecologically diverse strains of Fusarium oxysporum, a fungal species complex that often resides in the rhizosphere of assorted plants, produce volatile compounds that augment shoot and root growth of Arabidopsis thaliana and tobacco. Growth responses of A. thaliana hormone signaling mutants and expression patterns of a GUS reporter gene under the auxin-responsive DR5 promoter supported the involvement of auxin signaling in F. oxysporum volatile-mediated growth enhancement. In addition, 1-naphthylthalamic acid, an inhibitor of auxin efflux, negated F. oxysporum volatile-mediated growth enhancement in both plants. Comparison of the profiles of volatile compounds produced by F. oxysporum strains that differentially affected plant growth suggests that the relative compositions of both growth inhibitory and stimulatory compounds may determine the degree of plant growth enhancement. Volatile-mediated signaling between fungi and plants may represent a potentially conserved, yet mostly overlooked, mechanism underpinning plant-fungus interactions and fungal niche adaption.

  16. Predicting soil formation on the basis of transport-limited chemical weathering

    Science.gov (United States)

    Yu, Fang; Hunt, Allen Gerhard

    2018-01-01

    Soil production is closely related to chemical weathering. It has been shown that, under the assumption that chemical weathering is limited by solute transport, the process of soil production is predictable. However, solute transport in soil cannot be described by Gaussian transport. In this paper, we propose an approach based on percolation theory describing non-Gaussian transport of solute to predict soil formation (the net production of soil) by considering both soil production from chemical weathering and removal of soil from erosion. Our prediction shows agreement with observed soil depths in the field. Theoretical soil formation rates are also compared with published rates predicted using soil age-profile thickness (SAST) method. Our formulation can be incorporated directly into landscape evolution models on a point-to-point basis as long as such models account for surface water routing associated with overland flow. Further, our treatment can be scaled-up to address complications associated with continental-scale applications, including those from climate change, such as changes in vegetation, or surface flow organization. The ability to predict soil formation rates has implications for understanding Earth's climate system on account of the relationship to chemical weathering of silicate minerals with the associated drawdown of atmospheric carbon, but it is also important in geomorphology for understanding landscape evolution, including for example, the shapes of hillslopes, and the net transport of sediments to sedimentary basins.

  17. Mitigation of strontium and ruthenium release in the CANDU primary heat transport system

    International Nuclear Information System (INIS)

    McFarlane, J.

    1998-03-01

    In certain severe accident scenarios, low-volatility fission products can appear to contribute significantly to dose, if treated with undue conservatism. Hence a survey was performed, to see if factors that may mitigate release of strontium and ruthenium could be incorporated into safety analyses, to cover parameters such as location in the fuel matrix under normal operating conditions, release from fuel, transport and deposition in the primary heat transport system and chemistry. In addition chemical equilibrium calculations were performed to investigate the volatility of strontium and ruthenium in the presence of uranium and important fission products. Strontium is very soluble in the U0 2 fuel, up to 12 atom %, and hence release is improbable, particularly under oxidizing conditions until volatilization of the fuel matrix itself occurs. Ruthenium, however, can be released at low temperatures, but only under oxidizing conditions. These may occur during a fuel-handling accident or as a result of an end-fitting failure. Under these conditions, the primary heat transport system cannot be credited for retention. The volatile form of ruthenium, RuO 4 (g), is thermally unstable above 381 K and decomposes to RuO 2 (s) and O 2 (g) upon contact with surfaces, a factor that is likely to minimize the release of ruthenium into the environment. (author)

  18. Physico-chemical, nutritional, and volatile composition and sensory profile of Spanish jujube (Ziziphus jujuba Mill.) fruits.

    Science.gov (United States)

    Hernández, Francisca; Noguera-Artiaga, Luis; Burló, Francisco; Wojdyło, Aneta; Carbonell-Barrachina, Ángel A; Legua, Pilar

    2016-06-01

    Jujube fruit is eaten mostly fresh, but may be dried (Chinese dates and tea) or processed into confectionary recipes in bread, cakes, compotes, and candy. Given that the quality of jujube available on the market differs on account of various factors such as geographical environment, cultivar, processing conditions, and storage conditions, and that, for consumers, flavour and nutrition properties of jujube represent the major parameters in determining the quality of jujube, the main goal of this study were to determine the main physico-chemical properties of jujube fruits, sugars and organic acids profiles, protein, mineral constituents, volatile composition and sensory profile of jujube fruits. This would allow breeders to select cultivars with higher levels of nutrients and also enable increasing dietary intake by consumers. Investigations showed that jujube fruit weight ranged from 4.8 to 29.3 g fruit(-1) . Four sugars (glucose, fructose, sucrose and sorbitol) and four organic acids (citric, malic, ascorbic and succinic acids) were identified and quantified by high-performance liquid chromatography in jujube fruits. Potassium, calcium and magnesium were the major mineral constituents in jujube fruits. Fifteen volatiles compounds were found in the aroma profile of jujube fruits (nine were aldehydes, three terpenes, one ester, one ketone and one linear hydrocarbon). The results showed that Spanish jujube cultivars studied are a good source of vitamin C, and they have a low content of Na. The jujube cultivar with the most appreciated quality by consumers was GAL; the GAL fruits were sweet, crunchy, and had high intensities of jujube ID and apple flavour a long after-taste. Therefore, jujube grown in Spain has a great potential to be exploited for functional foods. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

  19. System of extraction of volatiles from soil using microwave processes

    Science.gov (United States)

    Ethridge, Edwin C. (Inventor); Kaukler, William F. (Inventor)

    2013-01-01

    A device for the extraction and collection of volatiles from soil or planetary regolith. The device utilizes core drilled holes to gain access to underlying volatiles below the surface. Microwave energy beamed into the holes penetrates through the soil or regolith to heat it, and thereby produces vapor by sublimation. The device confines and transports volatiles to a cold trap for collection.

  20. Drug Transport and Pharmacokinetics for Chemical Engineers

    Science.gov (United States)

    Simon, Laurent; Kanneganti, Kumud; Kim, Kwang Seok

    2010-01-01

    Experiments in continuous-stirred vessels were proposed to introduce methods in pharmacokinetics and drug transport to chemical engineering students. The activities can be incorporated into the curriculum to illustrate fundamentals learned in the classroom. An appreciation for the role of pharmacokinetics in drug discovery will also be gained…

  1. Aerosol volatility in a boreal forest environment

    Science.gov (United States)

    Häkkinen, S. A. K.; ńijälä, M.; Lehtipalo, K.; Junninen, H.; Virkkula, A.; Worsnop, D. R.; Kulmala, M.; Petäjä, T.; Riipinen, I.

    2012-04-01

    Climate and health effects of atmospheric aerosols are determined by their properties such as their chemical composition. Aerosol chemical composition can be studied indirectly by measuring volatility of aerosol particles. The volatility of submicron aerosol particles (20-500 nm) was studied in a boreal forest site at SMEAR II (Station for Measuring Ecosystem-Atmosphere Relations II) station (Vesala et al., 1998) in Hyytiälä, Finland, during 01/2008-05/2010. The instrument used for the measurements was VDMPS (Volatility Differential Mobility Particle Sizer), which consists of two separate instruments: DMPS (Differential Mobility Particle Sizer, Aalto et al., 2001) and TD (Thermodenuder, Wehner et al., 2002). Aerosol evaporation was examined by heating the aerosol and comparing the total aerosol mass before and after heating. In the VDMPS system ambient aerosol sample was heated up to temperatures ranging from 80 °C to 280 °C. The higher the heating temperature was the more aerosol material was evaporated. There was a non-volatile residual present in aerosol particles when heated up to 280 °C. This residual explained (20±8)% of the total aerosol mass. Aerosol non-volatile mass fraction was highest during winter and smallest during summer months. The role of black carbon in the observed non-volatile residual was determined. Black carbon explained 40 to 90% of the non-volatile mass. Especially during colder seasons noticeable amount of non-volatile material, something else than black carbon, was observed. According to Kalberer et al. (2004) some atmospheric organic species can form polymers that have high evaporation temperatures. Also low-volatile organic salts may contribute to the non-volatile aerosol (Smith et al., 2010). Aerosol mass composition measured directly with AMS (Aerosol Mass Spectrometer, Jayne et al., 2000) was analyzed in order to examine the properties of the non-volatile material (other than black carbon). The AMS measurements were performed

  2. A mesoscale chemical transport model (MEDIUM) nested in a global chemical transport model (MEDIANTE)

    Energy Technology Data Exchange (ETDEWEB)

    Claveau, J; Ramaroson, R [Office National d` Etudes et de Recherches Aerospatiales (ONERA), 92 - Chatillon (France)

    1998-12-31

    The lower stratosphere and upper troposphere (UT-LS) are frequently subject to mesoscale or local scale exchange of air masses occurring along discontinuities. This exchange (e.g. downward) can constitute one of the most important source of ozone from the stratosphere down to the middle troposphere where strong mixing dilutes the air mass and competing the non-linear chemistry. The distribution of the chemical species in the troposphere and the lower stratosphere depends upon various source emissions, e.g. from polluted boundary layer or from aircraft emissions. Global models, as well as chemical transport models describe the climatological state of the atmosphere and are not able to describe correctly the stratosphere and troposphere exchange. Mesoscale models go further in the description of smaller scales and can reasonably include a rather detailed chemistry. They can be used to assess the budget of NO{sub x} from aircraft emissions in a mesoscale domain. (author) 4 refs.

  3. A mesoscale chemical transport model (MEDIUM) nested in a global chemical transport model (MEDIANTE)

    Energy Technology Data Exchange (ETDEWEB)

    Claveau, J.; Ramaroson, R. [Office National d`Etudes et de Recherches Aerospatiales (ONERA), 92 - Chatillon (France)

    1997-12-31

    The lower stratosphere and upper troposphere (UT-LS) are frequently subject to mesoscale or local scale exchange of air masses occurring along discontinuities. This exchange (e.g. downward) can constitute one of the most important source of ozone from the stratosphere down to the middle troposphere where strong mixing dilutes the air mass and competing the non-linear chemistry. The distribution of the chemical species in the troposphere and the lower stratosphere depends upon various source emissions, e.g. from polluted boundary layer or from aircraft emissions. Global models, as well as chemical transport models describe the climatological state of the atmosphere and are not able to describe correctly the stratosphere and troposphere exchange. Mesoscale models go further in the description of smaller scales and can reasonably include a rather detailed chemistry. They can be used to assess the budget of NO{sub x} from aircraft emissions in a mesoscale domain. (author) 4 refs.

  4. Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

    International Nuclear Information System (INIS)

    Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

    2011-01-01

    A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

  5. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  6. Wintertime aerosol chemical composition, volatility, and spatial variability in the greater London area

    Directory of Open Access Journals (Sweden)

    L. Xu

    2016-02-01

    undergone similar chemical processing as rBC in the atmosphere. Although the atomic O : C ratio of OOA is substantially larger than that of solid fuel OA and hydrocarbon-like OA, these three factors have similar volatility, which is inferred from the change in mass concentration after heating at 120 °C. Finally, we discuss the relationship between the mass fraction remaining (MFR of OA after heating in the TD and atomic O : C of OA and find that particles with a wide range of O : C could have similar MFR after heating. This analysis emphasizes the importance of understanding the distribution of volatility and O : C in bulk OA.

  7. Seasonal Variation in the Chemical Composition and Antimicrobial Activity of Volatile Oils of Three Species of Leptospermum (Myrtaceae Grown in Brazil

    Directory of Open Access Journals (Sweden)

    Antonio Lelis Pinheiro

    2011-01-01

    Full Text Available This study investigates the seasonal variation of three species of Leptospermum (Myrtaceae grown in Brazil. The chemical composition of the volatile oils of L. flavescens and L. petersonii did not show any significant seasonal variation in the major components, while for Leptospermum madidum subsp. sativum the levels of major constituents of the volatile oils varied with the harvest season. Major fluctuations in the composition of L. madidum subsp. sativum oil included α-pinene (0–15.2%, β-pinene (0.3–18.5%, α-humulene (0.8–30%, 1,8-cineole (0.4–7.1% and E-caryophyllene (0.4–11.9%. Levels of β-pinene (0.3–5.6%, terpinen-4-ol (4.7–7.2% and nerolidol (55.1–67.6% fluctuated seasonally in the L. flavescens oil. In L. petersonii, changes were noted for geranial (29.8–32.8%, citronellal (26.5–33.9% and neral (22.7–23.5%. The activity of the volatile oils against the tested bacteria differed, depending on season the oils were obtained. In general, the volatile oils were more active against Gram-positive bacteria.

  8. Volatile Chemical Constituents of Piper aduncum L and Piper gibbilimbum C. DC (Piperaceae) from Papua New Guinea

    OpenAIRE

    Rali, Topul; Wossa, Stewart W; Leach, David N; Waterman, Peter G

    2007-01-01

    Exhaustive hydro-distillation of the leaves of Piper aduncum and fruits of Piper gibbilimbum (Piperaceae) afforded colorless and pale orange colored oils in 0.35 and 0.30 % yields, respectively. Detailed chemical analysis by GC/MS indicated the volatile constituents of Piper aduncum to be composed of dill apiole (43.3 %), β-caryophyllene (8.2 %), piperitione (6.7 %) and α-humulene (5.1 %), whilst the oil of P. gibbilimbum is dominated by the gibbilimbols A-D (74.2 %), with the remaining major...

  9. The volatile compound BinBase mass spectral database.

    Science.gov (United States)

    Skogerson, Kirsten; Wohlgemuth, Gert; Barupal, Dinesh K; Fiehn, Oliver

    2011-08-04

    Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. The volatile compound BinBase (vocBinBase) is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity) from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species). Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http://vocbinbase.fiehnlab.ucdavis.edu). The Bin

  10. The volatile compound BinBase mass spectral database

    Directory of Open Access Journals (Sweden)

    Barupal Dinesh K

    2011-08-01

    Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

  11. Herbivore-induced volatiles in the perennial shrub, Vaccinium corymbosum, and their role in inter-branch signaling.

    Science.gov (United States)

    Rodriguez-Saona, Cesar R; Rodriguez-Saona, Luis E; Frost, Christopher J

    2009-02-01

    Herbivore feeding activates plant defenses at the site of damage as well as systemically. Systemic defenses can be induced internally by signals transported via phloem or xylem, or externally transmitted by volatiles emitted from the damaged tissues. We investigated the role of herbivore-induced plant volatiles (HIPVs) in activating a defense response between branches in blueberry plants. Blueberries are perennial shrubs that grow by initiating adventitious shoots from a basal crown, which produce new lateral branches. This type of growth constrains vascular connections between shoots and branches within plants. While we found that leaves within a branch were highly connected, vascular connectivity was limited between branches within shoots and absent between branches from different shoots. Larval feeding by gypsy moth, exogenous methyl jasmonate, and mechanical damage differentially induced volatile emissions in blueberry plants, and there was a positive correlation between amount of insect damage and volatile emission rates. Herbivore damage did not affect systemic defense induction when we isolated systemic branches from external exposure to HIPVs. Thus, internal signals were not capable of triggering systemic defenses among branches. However, exposure of branches to HIPVs from an adjacent branch decreased larval consumption by 70% compared to those exposed to volatiles from undamaged branches. This reduction in leaf consumption did not result in decreased volatile emissions, indicating that leaves became more responsive to herbivory (or "primed") after being exposed to HIPVs. Chemical profiles of leaves damaged by gypsy moth caterpillars, exposed to HIPVs, or non-damaged controls revealed that HIPV-exposed leaves had greater chemical similarities to damaged leaves than to control leaves. Insect-damaged leaves and young HIPV-exposed leaves had higher amounts of endogenous cis-jasmonic acid compared to undamaged and non-exposed leaves, respectively. Our results

  12. Characterization of Chemical Composition of Pericarpium Citri Reticulatae Volatile Oil by Comprehensive Two-Dimensional Gas Chromatography with High-Resolution Time-of-Flight Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Kunming Qin

    2013-01-01

    Full Text Available Pericarpium Citri Reticulatae (Chenpi in Chinese has been widely used as an herbal medicine in Korea, China, and Japan. Chenpi extracts are used to treat indigestion and inflammatory syndromes of the respiratory tract such as bronchitis and asthma. This thesis will analyze chemical compositions of Chenpi volatile oil, which was performed by comprehensive two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry (GC × GC-HR-TOFMS. One hundred and sixty-seven components were tentatively identified, and terpene compounds are the main components of Chenpi volatile oil, a significant larger number than in previous studies. The majority of the eluted compounds, which were identified, were well separated as a result of high-resolution capability of the GC × GC method, which significantly reduces, the coelution. β-Elemene is tentatively qualified by means of GC × GC in tandem with high-resolution TOFMS detection, which plays an important role in enhancing the effects of many anticancer drugs and in reducing the side effects of chemotherapy. This study suggests that GC × GC-HR-TOFMS is suitable for routine characterization of chemical composition of volatile oil in herbal medicines.

  13. Biological activity and phytochemical composition of the volatile oils from basilicum polystachyon

    International Nuclear Information System (INIS)

    Cui, H.X.; Cheng, F.R.

    2017-01-01

    This paper extracted and determined the chemical components of the volatile oil in Basilicum polystachyon, and measured and evaluated the bioactivity of the volatile oil in Basilicum polystachyon. The oils were obtained by hydrodistillation, and their chemical compositions were separated and determined by gas chromatography-mass spectrometry (GC-MS). Minimum inhibitory concentrations (MIC) were determined by using the 8 kinds of plant pathogenic fungi. The free radicals scavenging activity of its volatile oil for the IC/sub 50/ were investigated by using Trolox as the comparison and cytotoxicity by brine shrimp lethal bioassay. The results show that 64 constituents of oils isolated respectively from Basilicum polystachyon were identified. The appraised components take up 99.75% of the total peak area. The main composition of the volatile oil is sesquiterpenoids and monoterpene. The results exhibit that the volatile oil in Basilicum polystachyon has very strong bioactivity of antimicrobial, antioxidant and cytotoxicity. These results provided the reference for further understanding the chemical components and its bioactivity of this aromatic plant as well as its further development. (author)

  14. Kinetics of aerobic oxidation of volatile sulfur compounds in wastewater and biofilm from sewers

    DEFF Research Database (Denmark)

    Rudelle, Elise Alice; Vollertsen, Jes; Hvitved-Jacobsen, Thorkild

    2013-01-01

    Laboratory experiments were conducted to investigate the kinetics of aerobic chemical and biological oxidation of selected odorous volatile sulfur compounds (VSCs) by wastewater and biofilm from sewers. The VSCs included methyl mercaptan (MeSH), ethyl mercaptan (EtSH), dimethyl sulfide (DMS......-spot downstream of a force main and the other was a gravity sewer transporting young aerobic wastewater. The kinetics of VSC oxidation for both wastewater and suspended biofilm samples followed a first-order rate equation. The average values of the reaction rate constants demonstrated the following order...... in the aerobic wastewater....

  15. Ballistic transport in graphene grown by chemical vapor deposition

    International Nuclear Information System (INIS)

    Calado, V. E.; Goswami, S.; Xu, Q.; Vandersypen, L. M. K.; Zhu, Shou-En; Janssen, G. C. A. M.; Watanabe, K.; Taniguchi, T.

    2014-01-01

    In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be ballistically directed by a magnetic field (transverse magnetic focussing) over length scales of ∼1 μm. Comparison with atomic force microscope measurements suggests a correlation between the absence of wrinkles and the presence of ballistic transport in CVD graphene

  16. Ballistic transport in graphene grown by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Calado, V. E.; Goswami, S.; Xu, Q.; Vandersypen, L. M. K., E-mail: l.m.k.vandersypen@tudelft.nl [Kavli Institute of Nanoscience, Delft University of Technology, 2600 GA Delft (Netherlands); Zhu, Shou-En; Janssen, G. C. A. M. [Micro and Nano Engineering Laboratory, Precision and Microsystems Engineering, Delft University of Technology, 2628 CD Delft (Netherlands); Watanabe, K.; Taniguchi, T. [Advanced Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2014-01-13

    In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be ballistically directed by a magnetic field (transverse magnetic focussing) over length scales of ∼1 μm. Comparison with atomic force microscope measurements suggests a correlation between the absence of wrinkles and the presence of ballistic transport in CVD graphene.

  17. Volatile chemical cues guide host location and host selection by parasitic plants

    Science.gov (United States)

    Justin B. Runyon; Mark C. Mescher; Consuelo M. De Moraes

    2006-01-01

    The importance of plant volatiles in mediating interactions between plant species is much debated. Here, we demonstrate that the parasitic plant Cuscuta pentagona (dodder) uses volatile cues for host location. Cuscuta pentagona seedlings exhibit directed growth toward nearby tomato plants (Lycopersicon esculentum...

  18. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson-Nernst-...

  19. Antioxidant properties of volatile oils obtained from Artemisia taurica ...

    African Journals Online (AJOL)

    In this study, the antioxidant properties of volatile oils obtained from the earth parts of the Artemisia taurica Willd. and Salvia kronenburgii Rech. Fil. plants and their effects on xanthine oxidase enzyme were studied. The chemical contents of each volatile oil were determined by applying gas chromatograpghy-mass ...

  20. Mitigation of strontium and ruthenium release in the CANDU primary heat transport system

    Energy Technology Data Exchange (ETDEWEB)

    McFarlane, J

    1998-03-01

    In certain severe accident scenarios, low-volatility fission products can appear to contribute significantly to dose, if treated with undue conservatism. Hence a survey was performed, to see if factors that may mitigate release of strontium and ruthenium could be incorporated into safety analyses, to cover parameters such as location in the fuel matrix under normal operating conditions, release from fuel, transport and deposition in the primary heat transport system and chemistry. In addition chemical equilibrium calculations were performed to investigate the volatility of strontium and ruthenium in the presence of uranium and important fission products. Strontium is very soluble in the U0{sub 2} fuel, up to 12 atom %, and hence release is improbable, particularly under oxidizing conditions until volatilization of the fuel matrix itself occurs. Ruthenium, however, can be released at low temperatures, but only under oxidizing conditions. These may occur during a fuel-handling accident or as a result of an end-fitting failure. Under these conditions, the primary heat transport system cannot be credited for retention. The volatile form of ruthenium, RuO{sub 4}(g), is thermally unstable above 381 K and decomposes to RuO{sub 2}(s) and O{sub 2}(g) upon contact with surfaces, a factor that is likely to minimize the release of ruthenium into the environment. (author)

  1. Metabolic engineering of volatile isoprenoids in plants and microbes

    NARCIS (Netherlands)

    Vickers, C.; Bongers, M.; Liu, Q.; Delatte, T.L.; Bouwmeester, H.J.

    2014-01-01

    The chemical properties and diversity of volatile isoprenoids lends them to a broad variety of biological roles. It also lends them to a host of biotechnological applications, both by taking advantage of their natural functions and by using them as industrial chemicals/chemical feedstocks. Natural

  2. Developing ecotoxicological testing procedures for chemicals in soils

    International Nuclear Information System (INIS)

    Scheunert, I.; Doerfler, U.; Quast, I.; Schroll, R.; Topp, E.; Wolf, E.; Korte, F.

    1989-01-01

    The work deals with the determination of adsorption coefficients of volatile environmental chemicals, of volatilization rates (example: Lindane), biomineralization rates, total balances, and uptake into higher plants, further with the correlation of the uptake of chemicals by plants with physico-chemical and structural mass characteristics, and field experiments with lysimeters using labelled carbon 14 compounds for validation of the results obtained under laboratory conditions. - The devices for determination of adsorption coefficients and of volatilization rates of chemicals from soil and plant surfaces, as well as the closed experimental setup with controlled air throughput for billing labelled carbon 14 chemicals in the soil/plant system are described. The mass balance of the adsorption of volatile labelled carbon 14 chemicals in an alfisol, the volatilization of Lindane from the surface of a sandy soil, the concentration of hexachlorbenzene in different parts of plants, the uptake pathways of organic chemicals in higher plants and their corelation with mass properties, as well as the correlation between bioconcentration factors of chemicals in barley after application into the soil and physico-chemical and structural mass parameters are investigated and indicated in the form of tables and diagrams. (HK) [de

  3. Chemical investigations of volatile kairomones produced by Hyphantria cunea (Drury), a host of the parasitoid Chouioia cunea Yang.

    Science.gov (United States)

    Zhu, G; Pan, L; Zhao, Y; Zhang, X; Wang, F; Yu, Y; Fan, W; Liu, Q; Zhang, S; Li, M

    2017-04-01

    In tritrophic 'plants-herbivores-natural enemies' systems, there are relatively few reports concerning the role(s) of kairomones in pupal parasitism. Chouioia cunea Yang (Hymenoptera: Eulophidae), an endoparasitic chalcid wasp, parasitizes pupae of the fall webworm (Hyphantria cunea Drury). The role of host-related kairomones was investigated using electroantennogram (EAG) and behavioral techniques. Chemicals from some host stages (pupae) and host by-products (frass), induced arrestment behavior of female parasitoids, while chemicals from prepupae, were inactive. Gas chromatography-mass spectrometry analysis of volatiles collected from pupae, frass and prepupae using solid-phase microextration revealed seven compounds with carbon chain lengths ranging from C4 to C20. All of the chemicals elicited significant EAG responses in C. cunea. Y-tube olfactometer bioassays demonstrated a significant positive response of mated female C. cunea to 1-dodecene. These data provide a better understanding of the host location mechanisms of pupal parasitoid.

  4. Volatile chemical constituents of Piper aduncum L and Piper gibbilimbum C. DC (Piperaceae) from Papua New Guinea.

    Science.gov (United States)

    Rali, Topul; Wossa, Stewart W; Leach, David N; Waterman, Peter G

    2007-03-09

    Exhaustive hydro-distillation of the leaves of Piper aduncum and fruits of Piper gibbilimbum (Piperaceae) afforded colorless and pale orange colored oils in 0.35 and 0.30 % yields, respectively. Detailed chemical analysis by GC/MS indicated the volatile constituents of Piper aduncum to be composed of dill apiole (43.3%), beta-caryophyllene (8.2%), piperitione (6.7%) and alpha-humulene (5.1%), whilst the oil of P. gibbilimbum is dominated by the gibbilimbols A-D (74.2%), with the remaining major constituents being the terpenes camphene (13.6%) and alpha-pinene (6.5%).

  5. Effect of inorganic salts on the volatility of organic acids.

    Science.gov (United States)

    Häkkinen, Silja A K; McNeill, V Faye; Riipinen, Ilona

    2014-12-02

    Particulate phase reactions between organic and inorganic compounds may significantly alter aerosol chemical properties, for example, by suppressing particle volatility. Here, chemical processing upon drying of aerosols comprised of organic (acetic, oxalic, succinic, or citric) acid/monovalent inorganic salt mixtures was assessed by measuring the evaporation of the organic acid molecules from the mixture using a novel approach combining a chemical ionization mass spectrometer coupled with a heated flow tube inlet (TPD-CIMS) with kinetic model calculations. For reference, the volatility, i.e. saturation vapor pressure and vaporization enthalpy, of the pure succinic and oxalic acids was also determined and found to be in agreement with previous literature. Comparison between the kinetic model and experimental data suggests significant particle phase processing forming low-volatility material such as organic salts. The results were similar for both ammonium sulfate and sodium chloride mixtures, and relatively more processing was observed with low initial aerosol organic molar fractions. The magnitude of low-volatility organic material formation at an atmospherically relevant pH range indicates that the observed phenomenon is not only significant in laboratory conditions but is also of direct atmospheric relevance.

  6. Finite element modeling of contaminant transport in soils including the effect of chemical reactions.

    Science.gov (United States)

    Javadi, A A; Al-Najjar, M M

    2007-05-17

    The movement of chemicals through soils to the groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. Recent studies have shown that the current models and methods are not able to adequately describe the leaching of nutrients through soils, often underestimating the risk of groundwater contamination by surface-applied chemicals, and overestimating the concentration of resident solutes. Furthermore, the effect of chemical reactions on the fate and transport of contaminants is not included in many of the existing numerical models for contaminant transport. In this paper a numerical model is presented for simulation of the flow of water and air and contaminant transport through unsaturated soils with the main focus being on the effects of chemical reactions. The governing equations of miscible contaminant transport including advection, dispersion-diffusion and adsorption effects together with the effect of chemical reactions are presented. The mathematical framework and the numerical implementation of the model are described in detail. The model is validated by application to a number of test cases from the literature and is then applied to the simulation of a physical model test involving transport of contaminants in a block of soil with particular reference to the effects of chemical reactions. Comparison of the results of the numerical model with the experimental results shows that the model is capable of predicting the effects of chemical reactions with very high accuracy. The importance of consideration of the effects of chemical reactions is highlighted.

  7. Direct analysis of volatile organic compounds in foods by headspace extraction atmospheric pressure chemical ionisation mass spectrometry.

    Science.gov (United States)

    Perez-Hurtado, P; Palmer, E; Owen, T; Aldcroft, C; Allen, M H; Jones, J; Creaser, C S; Lindley, M R; Turner, M A; Reynolds, J C

    2017-11-30

    The rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently, the technique of choice for VOC analysis is gas chromatography/mass spectrometry (GC/MS). However, the long chromatographic run times and elaborate sample preparation associated with this technique have led a movement towards direct analysis techniques, such as selected ion flow tube mass spectrometry (SIFT-MS), proton transfer reaction mass spectrometry (PTR-MS) and electronic noses. The work presented here describes the design and construction of a Venturi jet-pump-based modification for a compact mass spectrometer which enables the direct introduction of volatiles for qualitative and quantitative analysis. Volatile organic compounds were extracted from the headspace of heated vials into the atmospheric pressure chemical ionization source of a quadrupole mass spectrometer using a Venturi pump. Samples were analysed directly with no prior sample preparation. Principal component analysis (PCA) was used to differentiate between different classes of samples. The interface is shown to be able to routinely detect problem analytes such as fatty acids and biogenic amines without the requirement of a derivatisation step, and is shown to be able to discriminate between four different varieties of cheese with good intra and inter-day reproducibility using an unsupervised PCA model. Quantitative analysis is demonstrated using indole standards with limits of detection and quantification of 0.395 μg/mL and 1.316 μg/mL, respectively. The described methodology can routinely detect highly reactive analytes such as volatile fatty acids and diamines without the need for a derivatisation step or lengthy chromatographic separations. The capability of the system was demonstrated by discriminating between different varieties of cheese and monitoring the spoilage of meats. © 2017 The Authors. Rapid Communications in Mass

  8. Measurement of gas transport properties for chemical vapor infiltration

    Energy Technology Data Exchange (ETDEWEB)

    Starr, T.L.; Hablutzel, N. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Materials Science and Engineering

    1996-12-01

    In the chemical vapor infiltration (CVI) process for fabricating ceramic matrix composites (CMCs), transport of gas phase reactant into the fiber preform is a critical step. The transport can be driven by pressure or by concentration. This report describes methods for measuring this for CVI preforms and partially infiltrated composites. Results are presented for Nicalon fiber cloth layup preforms and composites, Nextel fiber braid preforms and composites, and a Nicalon fiber 3-D weave composite. The results are consistent with a percolating network model for gas transport in CVI preforms and composites. This model predicts inherent variability in local pore characteristics and transport properties, and therefore, in local densification during processing; this may lead to production of gastight composites.

  9. Volatilization of iodine from soils and plants

    International Nuclear Information System (INIS)

    Wildung, R.E.; Cataldo, D.A.; Garland, T.R.

    1985-04-01

    Elevated levels of 129 I, a long-lived fission product, are present in the environment as a result of nuclear weapons testing and fuel reprocessing. To aid in understanding the anomalous behavior of this element, relative to natural I ( 127 I), in the vicinity of nuclear fuel reprocessing plants, preliminary laboratory-growth chamber studies were undertaken to examine the possible formation of volatile inorganic and organic I species in soil and plant systems. Inorganic 129 I added to soil was volatilized from both the soil and plant during plant growth, at average ratios of 2 x 10 -3 %/day soil and 9 x 10 -3 %/day foliage, respectively. Volatilization rates from soil were an order of magnitude less in the absence of growing roots. Less than 2% of soil or plant volatiles was subsequently retained by plant canopies. Volatile I, chemically characterized by selective sorption methods, consisted principally of alkyl iodides formed by both soil and plant processes. However, plants and soils containing actively growing roots produced a larger fraction of volatile inorganic I than soil alone. 14 refs., 1 fig., 3 tabs

  10. Shannon Entropy of Ammonia Volatilization from Fertilized Agricultural Soils

    Science.gov (United States)

    The economic loss of ammonia (NH3) volatilization from chemical N fertilizers applied to farmlands worldwide is 11.6 billion US dollars per year. The economic impact of negative environmental effects resulted from NH3 volatilization, i.e., formation of potent greenhouse gas (N2O) and PM2.5, is diffi...

  11. Chemical Compositions of Achillea sivasica: Different Plant Part Volatiles, Enantiomers and Fatty Acids

    Directory of Open Access Journals (Sweden)

    Gülmira Özek

    2018-03-01

    Full Text Available In the present work, Microsteam distillation - Solid phase microextraction (MSD-SPME and hydrodistillation (HD techniques were applied to obtain volatiles from Achillea sivasica, an endemic species from Turkey. GC-FID and GC/MS analysis revealed that 1,8-cineole (22.1% and a -pinene (9.3% were the main constituents of the hydrodistilled flower volatiles. (Z- b -Farnesene (23.9%, decanoic acid (10.1%, b- eudesmol (8.0%, tricosane (7.3% and hexadecanoic acid (7.2% were the main volatiles obtained from flowers by MSD-SPME. The leaf volatiles obtained by HD contained camphor (9.0%, b -pinene (6.9%, 1,8-cineole (6.7%, a -pinene (6.7% and a -bisabolol (6.6% as the main constituents while the leaf volatiles obtained by MSD-SPME technique were rich in (E-geranyl acetone (10.5%, (E- b -ionone (10.3%, camphor (10.2%, 1,8-cineole (9.6%, longiverbenone (7.9%, b -eudesmol (7.5%, isopropyl myristate (6.7% and epi- a -bisabolol (6.4%. The root volatiles were rich in longiverbenone (14.1%, (E-geranyl acetone (9.3%, nonanol (12.1% and decanol (12.5%. The enantiomeric distribution of the major volatile constituents was analyzed by using different b -cyclodextrin chiral columns. (1R-(+- a -Pinene, (1S-(-- b -pinene, (4R-(+-limonene, (1R,3S,5R-(--trans-pinocarveol, (1S,2R,4S-(--borneol, (2S-(-- a -bisabolol were detected as dominant enantiomers. The lipids extracted from the flower and leaf with Folch method and methylated with BF 3 reagent contained common acids: linolenic, linoleic, hexadecanoic acids. Oleic and stearic acids were detected particularly in high amount in the flower lipids

  12. Volatile compounds from beneficial or pathogenic bacteria differentially regulate root exudation, transcription of iron transporters, and defense signaling pathways in Sorghum bicolor.

    Science.gov (United States)

    Hernández-Calderón, Erasto; Aviles-Garcia, Maria Elizabeth; Castulo-Rubio, Diana Yazmín; Macías-Rodríguez, Lourdes; Ramírez, Vicente Montejano; Santoyo, Gustavo; López-Bucio, José; Valencia-Cantero, Eduardo

    2018-02-01

    Our results show that Sorghum bicolor is able to recognize bacteria through its volatile compounds and differentially respond to beneficial or pathogens via eliciting nutritional or defense adaptive traits. Plants establish beneficial, harmful, or neutral relationships with bacteria. Plant growth promoting rhizobacteria (PGPR) emit volatile compounds (VCs), which may act as molecular cues influencing plant development, nutrition, and/or defense. In this study, we compared the effects of VCs produced by bacteria with different lifestyles, including Arthrobacter agilis UMCV2, Bacillus methylotrophicus M4-96, Sinorhizobium meliloti 1021, the plant pathogen Pseudomonas aeruginosa PAO1, and the commensal rhizobacterium Bacillus sp. L2-64, on S. bicolor. We show that VCs from all tested bacteria, except Bacillus sp. L2-64, increased biomass and chlorophyll content, and improved root architecture, but notheworthy A. agilis induced the release of attractant molecules, whereas P. aeruginosa activated the exudation of growth inhibitory compounds by roots. An analysis of the expression of iron-transporters SbIRT1, SbIRT2, SbYS1, and SbYS2 and genes related to plant defense pathways COI1 and PR-1 indicated that beneficial, pathogenic, and commensal bacteria could up-regulate iron transporters, whereas only beneficial and pathogenic species could induce a defense response. These results show how S. bicolor could recognize bacteria through their volatiles profiles and highlight that PGPR or pathogens can elicit nutritional or defensive traits in plants.

  13. Stochastic volatility of volatility in continuous time

    DEFF Research Database (Denmark)

    Barndorff-Nielsen, Ole; Veraart, Almut

    This paper introduces the concept of stochastic volatility of volatility in continuous time and, hence, extends standard stochastic volatility (SV) models to allow for an additional source of randomness associated with greater variability in the data. We discuss how stochastic volatility...... of volatility can be defined both non-parametrically, where we link it to the quadratic variation of the stochastic variance process, and parametrically, where we propose two new SV models which allow for stochastic volatility of volatility. In addition, we show that volatility of volatility can be estimated...

  14. Volatility from copper and tungsten alloys for fusion reactor applications

    International Nuclear Information System (INIS)

    Smolik, G.R.; Neilson, R.M. Jr.; Piet, S.J.

    1989-01-01

    Accident scenarios for fusion power plants present the potential for release and transport of activated constituents volatilized from first wall and structural materials. The extent of possible mobilization and transport of these activated species, many of which are ''oxidation driven'', is being addressed by the Fusion Safety Program at the Idaho National Engineering Laboratory (INEL). This report presents experimental measurements of volatilization from a copper alloy in air and steam and from a tungsten alloy in air. The major elements released included zinc from the copper alloy and rhenium and tungsten from the tungsten alloy. Volatilization rates of several constituents of these alloys over temperatures ranging from 400 to 1200 degree C are presented. These values represent release rates recommended for use in accident assessment calculations. 8 refs., 3 figs., 5 tabs

  15. Herbicide volatilization trumps runoff losses, a multi-year investigation

    Science.gov (United States)

    Surface runoff and volatilization are two processes critical to herbicide off-site transport. To determine the relevance of these off-site transport mechanisms, runoff and turbulent vapor fluxes were simultaneously monitored on the same site for eight years. Site location, herbicide formulations, ...

  16. Volatile and non-volatile chemical constituents of Cochlospermum vitifolium (Willdenow) Sprengel

    International Nuclear Information System (INIS)

    Almeida, Sheyla Cristiane Xenofonte de; Lemos, Telma Leda Gomes de; Silveira, Edilberto Rocha; Pessoa, Otilia Deusdenia Loiola

    2005-01-01

    The essential oils from leaves, root bark and root wood of Cochlospermum vitifolium were investigated for the first time. The oils were obtained by hydrodistillation and analyzed by GC/MS. The main volatile constituents were β-caryophyllene (8.2 - 46.5%), β-bisabolene (11.5 - 29.3%), γ-muurolene (28.4%), α-humulene (26.0%), 1-hydroxy-3-hexadecanone (16.2 - 19.5%) and β-pinene (10.6%). Phytochemical analysis of the root bark and root wood extracts yielded excelsin, pinoresinol, narigenin, aromadendrin, galic acid and a triacylbenzene, along with β-sitosterol and stigmasterol and their D-glucosides. The structures of all compounds were determined by analyses of the spectroscopic data (NMR and MS), and comparison with the literature. (author)

  17. Assessing the sensitivity of benzene cluster cation chemical ionization mass spectrometry toward a wide array of biogenic volatile organic compounds

    Science.gov (United States)

    Lavi, Avi; Vermeuel, Michael; Novak, Gordon; Bertram, Timothy

    2017-04-01

    Chemical ionization mass spectrometry is a real-time, sensitive and selective measurement technique for the detection of volatile organic compounds (VOCs). The benefits of CIMS technology make it highly suitable for field measurements that requires fast (10Hz and higher) response rates, such as the study of surface-atmosphere exchange processes by the eddy covariance method. The use of benzene cluster cations as a regent ion was previously demonstrated as a sensitive and selective method for the detection of select biogenic VOCs (e.g. isoprene, monoterpenes and sesquiterpenes) [Kim et al., 2016; Leibrock and Huey, 2000]. Quantitative analysis of atmospheric trace gases necessitates calibration for each analyte as a function of atmospheric conditions. We describe a custom designed calibration system, based on liquid evaporation, for determination of the sensitivity of the benzene-CIMS to a wide range of organic compounds at atmospherically relevant mixing ratios (volatile organic compounds, Atmos Meas Tech, 9(4), 1473-1484, doi:10.5194/amt-9-1473-2016. Leibrock, E., and L. G. Huey (2000), Ion chemistry for the detection of isoprene and other volatile organic compounds in ambient air, Geophys Res Lett, 27(12), 1719-1722, doi:Doi 10.1029/1999gl010804.

  18. Assessment of Volatile Chemical Composition of the Essential Oil of Jatropha ribifolia (Pohl Baill by HS-SPME-GC-MS Using Different Fibers

    Directory of Open Access Journals (Sweden)

    Celia Eliane de Lara da Silva

    2013-01-01

    Full Text Available The chemical composition of essential oil and volatile obtained from the roots of Jatropha ribifolia (Pohl Baill was performed in this work. The Clevenger extractor was utilized in hydrodistillation of oil and chemical composition determined by gas chromatography coupled with mass spectrometry detector (GC-MS. The identification of compounds was confirmed by retention index (Kovats index obtained from a series of straight chain alkanes (C7–C30 and by comparison with NIST and ADAMS library. A total of 61 compounds were identified in essential oil by GC-MS. The extraction of volatile was performed also by the use of the solid phase microextraction (SPME with four different fibers. The essential oil extraction was extremely rapid (15 s to avoid saturation of the fiber and the MS detector. The majority of the composition of essential oil is the terpenes: β-pinene (major compound 9.16%, β-vatirene (8.34%, α-gurjunene (6.98%, α-pinene (6.35%, camphene (4.34%, tricyclene (3.79% and dehydro aromadendrene (3.52% it and aldehydes and alcohols. Through the SPME it was possible to determine the nine volatile compounds not identified in oil 2,3,4-trimethyl-2-cyclopenten-1-one, α-phellandrene, 3-carene, trans-p-mentha-2,8-dienol, pinocamphone, D-verbenon, 1,3,3-trimethyl-2-(2-methyl-cyclopropyl-cyclohexene, 2,4-diisocyanato-1-methylbenzene, and (6-hydroxymethyl-2,3-dimethylehenyl methanol.

  19. Chemical and mechanical control of corrosion product transport

    Energy Technology Data Exchange (ETDEWEB)

    Hede Larsen, O; Blum, R [I/S Fynsvaerket, Faelleskemikerne, Odense (Denmark); Daucik, K [I/S Skaerbaekvaerket, Faelleskemikerne, Fredericia (Denmark)

    1996-12-01

    The corrosion products formed in the condensate and feedwater system of once-through boilers are precipitated and deposited inside the evaporator tubes mainly in the burner zone at the highest heat flux. Depositions lead to increased oxidation rate and increased metal temperature of the evaporator tubes, hereby decreasing tube lifetime. This effect is more important in the new high efficiency USC boilers due to increased feedwater temperature and hence higher thermal load on the evaporator tubes. The only way to reduce the load on the evaporator tubes is to minimise corrosion product transport to the boiler. Two general methods for minimising corrosion product transport to the boiler have been evaluated through measurement campaigns for Fe in the water/steam cycle in supercritical boilers within the ELSAM area. One method is to reduce corrosion in the low temperature condensate system by changing conditioning mode from alkaline volatile treatment (AVT) to oxygenated treatment (OT). The other method is to filtrate part of the condensate with a mechanical filter at the deaerator. The results show, that both methods are effective at minimising Fe-transport to the boiler, but changing to OT has the highest effect and should always be used, whenever high purity condensate is maintained. Whether mechanical filtration also is required, depends on the boiler, specifically the load on the evaporator. A simplified calculation model for lifetime evaluation of evaporator tubes has been developed. This model has been used for evaluating the effect of corrosion product transport to the boiler on evaporator tube lifetime. Conventional supercritical boilers generally can achieve sufficient lifetime by AVT and even better by OT, whereas all measures to reduce Fe-content of feedwater, including OT and mechanical filtration, should be taken, to ensure sufficient lifetime for the new boilers with advanced steam data - 290 bar/580 deg. C and above. (au)

  20. Volatile Composition of Smoked and Non-Smoked Iranian Rice

    Directory of Open Access Journals (Sweden)

    Leontina Lipan

    2016-11-01

    Full Text Available In this work, the volatile profiles of smoked and non-smoked Iranian rice were identified, and their relative abundance was calculated and compared. Headspace solid-phase microextraction together with gas chromatography-mass spectrometry (SPME-GC-MS were used to extract and identify the volatile compounds. The main groups of volatiles in Iranian rice were aldehydes, ketones, phenol derivatives, furans, linear hydrocarbons, esters and terpenes. The chemical family aldehydes was the most abundant one in the profile of non-smoked rice, while phenol derivatives and furans predominated in smoked samples. This study is the first one reporting comparative data of volatile compounds between smoked and non-smoked Iranian rice.

  1. Source identification and airborne chemical characterisation of aerosol pollution from long-range transport over Greenland during POLARCAT summer campaign 2008

    Science.gov (United States)

    Schmale, J.; Schneider, J.; Ancellet, G.; Quennehen, B.; Stohl, A.; Sodemann, H.; Burkhart, J. F.; Hamburger, T.; Arnold, S. R.; Schwarzenboeck, A.; Borrmann, S.; Law, K. S.

    2011-10-01

    We deployed an aerosol mass spectrometer during the POLARCAT (Polar Study using Aircraft, Remote Sensing, Surface Measurements and Models, of Climate, Chemistry, Aerosols, and Transport) summer campaign in Greenland in June/July 2008 on the research aircraft ATR-42. Online size resolved chemical composition data of submicron aerosol were collected up to 7.6 km altitude in the region 60 to 71° N and 40 to 60° W. Biomass burning (BB) and fossil fuel combustion (FF) plumes originating from North America, Asia, Siberia and Europe were sampled. Transport pathways of detected plumes included advection below 700 hPa, air mass uplifting in warm conveyor belts, and high altitude transport in the upper troposphere. By means of the Lagrangian particle dispersion model FLEXPART, trace gas analysis of O3 and CO, particle size distributions and aerosol chemical composition 48 pollution events were identified and classified into five chemically distinct categories. Aerosol from North American BB consisted of 22% particulate sulphate, while with increasing anthropogenic and Asian influence aerosol in Asian FF dominated plumes was composed of up to 37% sulphate category mean value. Overall, it was found that the organic matter fraction was larger (85%) in pollution plumes than for background conditions (71%). Despite different source regions and emission types the particle oxygen to carbon ratio of all plume classes was around 1 indicating low-volatility highly oxygenated aerosol. The volume size distribution of out-of-plume aerosol showed markedly smaller modes than all other distributions with two Aitken mode diameters of 24 and 43 nm and a geometric standard deviation σg of 1.12 and 1.22, respectively, while another very broad mode was found at 490 nm (σg = 2.35). Nearly pure BB particles from North America exhibited an Aitken mode at 66 nm (σg = 1.46) and an accumulation mode diameter of 392 nm (σg = 1.76). An aerosol lifetime, including all processes from emission to

  2. Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.

    1997-07-01

    The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

  3. Volatile Chemical Constituents of Piper aduncum L and Piper gibbilimbum C. DC (Piperaceae from Papua New Guinea

    Directory of Open Access Journals (Sweden)

    Peter G Waterman

    2007-03-01

    Full Text Available Exhaustive hydro-distillation of the leaves of Piper aduncum and fruits of Piper gibbilimbum (Piperaceae afforded colorless and pale orange colored oils in 0.35 and 0.30 % yields, respectively. Detailed chemical analysis by GC/MS indicated the volatile constituents of Piper aduncum to be composed of dill apiole (43.3 %, β-caryophyllene (8.2 %, piperitione (6.7 % and α-humulene (5.1 %, whilst the oil of P. gibbilimbum is dominated by the gibbilimbols A-D (74.2 %, with the remaining major constituents being the terpenes camphene (13.6 % and α-pinene (6.5 %.

  4. A model for the release of low-volatility fission products in oxidizing conditions

    International Nuclear Information System (INIS)

    Cox, D.S.; Hunt, C.E.L.; Liu, Z.; Keller, N.A.; Barrand, R.D.; O'Connor, R.F.

    1991-07-01

    A thermodynamic and kinetic model has been developed for calculating low-volatility fission-product releases from UO 2 at high temperatures in oxidizing conditions. Volatilization of the UO 2 matrix is assumed to be the rate controlling process. Oxidation kinetics of the UO 2 are modelled by either interfacial rate control, gas phase oxidant transport control, or solid-state diffusion of oxygen. The vapour pressure of UO 3 in equilibrium with the oxidizing fuel is calculated from thermodynamic data, and volatilization rates are determined using a model for forced convective mass transport. Low-volatility fission-product releases are calculated from the volume of vapourized fuel. Model calculations are conservative compared to experimental data for Zr, La, Ce and Nb fission-product releases from irradiated UO 2 exposed to air at 1973-2350 K. The implications of this conservatism are discussed in terms of possible rate control by processes other than convective mass transport of UO 3 . Coefficients for effective surface area (based on experimental data) and for heterogeneous rate controlling reaction kinetics are introduced to facilitate agreement between calculations and the experimental data.

  5. Biogenic volatile organic compounds in the Earth system.

    Science.gov (United States)

    Laothawornkitkul, Jullada; Taylor, Jane E; Paul, Nigel D; Hewitt, C Nicholas

    2009-01-01

    Biogenic volatile organic compounds produced by plants are involved in plant growth, development, reproduction and defence. They also function as communication media within plant communities, between plants and between plants and insects. Because of the high chemical reactivity of many of these compounds, coupled with their large mass emission rates from vegetation into the atmosphere, they have significant effects on the chemical composition and physical characteristics of the atmosphere. Hence, biogenic volatile organic compounds mediate the relationship between the biosphere and the atmosphere. Alteration of this relationship by anthropogenically driven changes to the environment, including global climate change, may perturb these interactions and may lead to adverse and hard-to-predict consequences for the Earth system.

  6. Characterizing the Asian Tropopause Aerosol Layer (ATAL) Using Satellite Observations, Balloon Measurements and a Chemical Transport Model

    Science.gov (United States)

    Fairlie, T. D.; Vernier, J.-P.; Liu, H.; Deshler, T.; Natarajan, M.; Bedka, K.; Wegner, T.; Baker, N.; Gadhavi, H.; Ratnam, M. V.; hide

    2016-01-01

    Satellite observations and numerical modeling studies have demonstrated that the Asian Summer Monsoon (ASM) provide a conduit for gas-phase pollutants in south Asia to reach the lower stratosphere. Now, observations from the CALIPSO satellite have revealed the Asian Tropopause Aerosol Layer (ATAL), a summertime accumulation of aerosols in the upper troposphere and lower stratosphere (UTLS), associated with the ASM anticyclone. The ATAL has potential implications for regional cloud properties, climate, and chemical processes in the UTLS. Here, we show in situ measurements from balloon-borne instruments, aircraft, and satellite observations, together with trajectory and chemical transport model (CTM) simulations to explore the origin, composition, physical, and optical properties of aerosols in the ATAL. In particular, we show balloon-data from our BATAL-2015 field campaign to India and Saudi Arabia in summer 2015, which includes in situ backscatter measurements from COBALD instruments, and the first observations of size and volatility of aerosols in the ATAL layer using optical particle counters (OPCs). Back trajectory calculations initialized from CALIPSO observations point to deep convection over North India as a principal source of ATAL aerosols. Available aircraft observations suggest significant sulfur and carbonaceous components to the ATAL, which is supported by simulations using the GEOS-Chem CTM. Source elimination studies conducted with the GEOS-Chem indicate that ATAL aerosols originate primary from south Asian sources, in contrast with some earlier studies.

  7. Influence of extraction techniques on physical-chemical characteristics and volatile compounds of extra virgin olive oil.

    Science.gov (United States)

    Volpe, Maria Grazia; De Cunzo, Fausta; Siano, Francesco; Paolucci, Marina; Barbarisi, Costantina; Cammarota, Giancarlo

    2014-01-01

    The purpose of this study was to investigate three types of extraction methods of extra virgin olive oil (EVOO) from the same cultivar (Ortice olive cultivar): traditional or pressing (T) system, decanter centrifugation (DC) system and a patented horizontal axis decanter centrifugation (HADC) system. Oil samples were subjected to chemical analyses: free acidity, peroxide value, ultraviolet light absorption K232 and K270, total polyphenols, antioxidant capacity, volatile compounds and olfactory characteristics by electronic nose. The two centrifugation systems showed better free acidity and peroxides value but total polyphenol content was particularly high in extra virgin olive oil produced by patented HADC system. Same volatile substances that positively characterize the oil aroma were found in higher amount in the two centrifugation systems, although some differences have been detected between DC and HADC system, other were found in higher amount in extra virgin olive oil produced by T system. The electronic nose analysis confirmed these results, principal component analysis (PCA) and correlation matrix showed the major differences between EVOO produced by T and HADC system. Taken together the results showed that DC and HADC systems produce EVOO with better characteristics than T system and patented HADC is the best extraction system.

  8. Volatile organic compounds in alpine valleys: sources, evolutions and transformations; Les composes organiques volatils dans les vallees alpines: sources, evolutions et transformations

    Energy Technology Data Exchange (ETDEWEB)

    Colomb, A.

    2002-12-01

    Dynamic and chemical specificity in alpine valleys was the principal goal during the POVA project (Pollution des Vallees Alpines). Volatile Organic Compounds emissions in troposphere have important impacts on animal lives and environment. Then, the aim of this work was the improvement of the biogenic or anthropogenic VOC sources determination, of VOC transformation and evolution in mountain areas. During this project, the realisation of a daily continuous measurements campaign of a few chemical compounds allowed the understanding of the seasonal variations of these compounds. The goals of intensive field campaigns, realised in August 2000 and January 2001, were to understand photochemical process in a temporal and geographic small scale and to follow diurnal variation of different pollutants in summer and winter. Moreover, the VOC data would be used to develop and validate coupled atmospheric dynamic/chemical model. Therefore, these VOC measures give answer to two lacks of knowledge in alpine valleys about: - Biogenic and anthropogenic VOC respective part, and their main sources, - VOC photochemical reactions in alpine valleys, according to seasonal and diurnal cycles. Finally, we presented two atypical days results, in Maurienne valley during a Saharan episode in August 2000. This episode permitted to understand mass air transport mechanism in mountain region. (author)

  9. A vector/parallel method for a three-dimensional transport model coupled with bio-chemical terms

    NARCIS (Netherlands)

    B.P. Sommeijer (Ben); J. Kok (Jan)

    1995-01-01

    textabstractA so-called fractional step method is considered for the time integration of a three-dimensional transport-chemical model in shallow seas. In this method, the transport part and the chemical part are treated separately by appropriate integration techniques. This separation is motivated

  10. Magnon spin transport driven by the magnon chemical in a magnetic insulator

    NARCIS (Netherlands)

    Cornelissen, L.J.; Peters, K.J.H.; Bauer, G.E.W.; Duine, R.A.; van Wees, B.J.

    2016-01-01

    We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

  11. Analysis of Non-Volatile Chemical Constituents of Menthae Haplocalycis Herba by Ultra-High Performance Liquid Chromatography-High Resolution Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Lu-Lu Xu

    2017-10-01

    Full Text Available Menthae Haplocalycis herba, one kind of Chinese edible herbs, has been widely utilized for the clinical use in China for thousands of years. Over the last decades, studies on chemical constituents of Menthae Haplocalycis herba have been widely performed. However, less attention has been paid to non-volatile components which are also responsible for its medical efficacy than the volatile constituents. Therefore, a rapid and sensitive method was developed for the comprehensive identification of the non-volatile constituents in Menthae Haplocalycis herba using ultra-high performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry (UHPLC-LTQ-Orbitrap. Separation was performed with Acquity UPLC® BEH C18 column (2.1 mm × 100 mm, 1.7 μm with 0.2% formic acid aqueous solution and acetonitrile as the mobile phase under gradient conditions. Based on the accurate mass measurement (<5 ppm, MS/MS fragmentation patterns and different chromatographic behaviors, a total of 64 compounds were unambiguously or tentatively characterized, including 30 flavonoids, 20 phenolic acids, 12 terpenoids and two phenylpropanoids. Finally, target isolation of three compounds named Acacetin, Rosmarinic acid and Clemastanin A (first isolated from Menthae Haplocalycis herba were performed based on the obtained results, which further confirmed the deduction of fragmentation patterns and identified the compounds profile in Menthae Haplocalycis herba. Our research firstly systematically elucidated the non-volatile components of Menthae Haplocalycis herba, which laid the foundation for further pharmacological and metabolic studies. Meanwhile, our established method was useful and efficient to screen and identify targeted constituents from traditional Chinese medicine extracts.

  12. Associations between the sensory attributes and volatile composition of Cabernet Sauvignon wines and the volatile composition of the grapes used for their production.

    Science.gov (United States)

    Forde, Ciarán G; Cox, Agnieszka; Williams, Emlyn R; Boss, Paul K

    2011-03-23

    The sensory properties of wine are influenced by the chemical composition of the grapes used to produce them. Identification of grape and wine chemical markers associated with the attributes perceived by the consumer of the wine will enable better prediction of the potential of a parcel of grapes to produce wine of a certain flavor. This study explores the relationships between Cabernet Sauvignon grape volatile composition and wine volatile profiles with the sensory properties of wines. Twenty grape samples were obtained from nine vineyard sites across three vintages and wines vinified from these parcels using controlled winemaking methods. The volatile composition of the grapes were analyzed by SBSE-GCMS, the wines were analyzed by SPME-GCMS, and these data sets were compared to that obtained from the sensory analysis of the wines. Statistical treatment of the data to account for vintage and region effects allowed underlying relationships to be seen between wine sensory attributes and wine or grape volatile components. The observed associations between grape or wine volatile compounds and wine sensory attributes has revealed target compounds and pathways whose levels may reflect the biochemical effects on grape composition by differing growth conditions during berry development and ripening. The compounds identified in this study may be useful grape or wine markers for potential wine sensory characteristics.

  13. Chemical generation of volatile species of copper – Optimization, efficiency and investigation of volatile species nature

    Czech Academy of Sciences Publication Activity Database

    Šoukal, Jakub; Benada, Oldřich; Matoušek, Tomáš; Dědina, Jiří; Musil, Stanislav

    2017-01-01

    Roč. 977, JUL (2017), s. 10-19 ISSN 0003-2670 Institutional support: RVO:68081715 ; RVO:61388971 Keywords : generation of volatile species * copper * analytical atomic spectrometry Subject RIV: CB - Analytical Chemistry, Separation; EE - Microbiology, Virology (MBU-M) OBOR OECD: Analytical chemistry; Microbiology (MBU-M) Impact factor: 4.950, year: 2016

  14. Chemical and kinetic equilibrations via radiative parton transport

    International Nuclear Information System (INIS)

    Zhang Bin; Wortman, Warner A

    2011-01-01

    A hot and dense partonic system can be produced in the early stage of a relativistic heavy ion collision. How it equilibrates is important for the extraction of Quark-Gluon Plasma properties. We study the chemical and kinetic equilibrations of the Quark-Gluon Plasma using a radiative transport model. Thermal and Color-Glass-Condensate motivated initial conditions are used. We observe that screened parton interactions always lead to partial pressure isotropization. Different initial pressure anisotropies result in the same asymptotic evolution. Comparison of evolutions with and without radiative processes shows that chemical equilibration interacts with kinetic equilibration and radiative processes can contribute significantly to pressure isotropization.

  15. Extraction of plutonium from lean residues by room temperature fluoride volatility

    International Nuclear Information System (INIS)

    Campbell, G.M.; Foropoulos, J.; Kennedy, R.C.; Dye, B.A.; Behrens, R.G.

    1989-01-01

    The use of dioxygen difluoride (FOOF) and KrF 2 for the recovery of Pu from lean residues by conversion to gaseous PuF 6 is being investigated. The greater stability of PuF 6 at room temperature allows much more extensive removal of Pu from contaminated wastes, when compared to the high temperature fluoride volatility process. The process also requires fewer additive chemicals than aqueous processes, thus minimizing the amount of material that must be disposed of as radioactive waste. The transportability of gaseous PuF 6 allows much of the process to be automated, reducing operator exposure to radiation. Removal of PuF 6 decomposition product is easily facilitated by the use of these fluorinating agents. 9 refs., 8 figs

  16. Associations of Volatile Compounds with Sensory Aroma and Flavor: The Complex Nature of Flavor

    Directory of Open Access Journals (Sweden)

    Edgar Chambers IV

    2013-04-01

    Full Text Available Attempts to relate sensory analysis data to specific chemicals such as volatile compounds have been frequent. Often these associations are difficult to interpret or are weak in nature. Although some difficulties may relate to the methods used, the difficulties also result from the complex nature of flavor. For example, there are multiple volatiles responsible for a flavor sensation, combinations of volatiles yield different flavors than those expected from individual compounds, and the differences in perception of volatiles in different matrices. This review identifies some of the reasons sensory analysis and instrumental measurements result in poor associations and suggests issues that need to be addressed in future research for better understanding of the relationships of flavor/aroma phenomena and chemical composition.

  17. Currently Commercially Available Chemical Sensors Employed for Detection of Volatile Organic Compounds in Outdoor and Indoor Air

    Directory of Open Access Journals (Sweden)

    Bartosz Szulczyński

    2017-03-01

    Full Text Available The paper presents principle of operation and design of the most popular chemical sensors for measurement of volatile organic compounds (VOCs in outdoor and indoor air. It describes the sensors for evaluation of explosion risk including pellistors and IR-absorption sensors as well as the sensors for detection of toxic compounds such as electrochemical (amperometric, photoionization and semiconductor with solid electrolyte ones. Commercially available sensors for detection of VOCs and their metrological parameters—measurement range, limit of detection, measurement resolution, sensitivity and response time—were presented. Moreover, development trends and prospects of improvement of the metrological parameters of these sensors were highlighted.

  18. Passive Adsorption of Volatile Monoterpene in Pest Control: Aided by Proximity and Disrupted by Ozone.

    Science.gov (United States)

    Mofikoya, Adedayo O; Kim, Tae Ho; Abd El-Raheem, Ahmed M; Blande, James D; Kivimäenpää, Minna; Holopainen, Jarmo K

    2017-11-08

    Plant volatiles mediate a range of interactions across and within trophic levels, including plant-plant interactions. Volatiles emitted by a plant may trigger physiological responses in neighboring plants or adhere to their surfaces, which, in turn, may affect the responses of the neighboring plant to herbivory. These volatiles are subject to chemical reactions during transport in air currents, especially in a polluted atmosphere. We conducted a field experiment to test for the adsorption of dispenser-released myrcene on the surfaces of cabbage plants and the effects of distance from the dispenser and elevated ozone levels (1.4× ambient) on the process. We also tested the effects of the same treatments on oviposition on cabbage plants by naturally occurring Plutella xylostella. Under low ambient ozone conditions of central Finland, there was evidence for the adsorption and re-release of myrcene by cabbage plants growing at a distance of 50 cm from myrcene dispensers. This effect was absent at elevated ozone levels. The number of eggs deposited by P. xylostella was generally lower in plots under elevated ozone compared to ambient control plots. Our results indicate that passive adsorption and re-release of a volatile monoterpene can occur in nature; however, this process is dependent upon the distance between emitter source and receiver plants as well as the concentration of atmospheric pollutants in the air. We conclude that, in the development of field-scale use of plant volatiles in modern pest control, the effects of distances and air pollution should be considered.

  19. Comparative analysis of juice volatiles in selected mandarins, mandarin relatives and other citrus genotypes.

    Science.gov (United States)

    Yu, Yuan; Bai, Jinhe; Chen, Chunxian; Plotto, Anne; Baldwin, Elizabeth A; Gmitter, Frederick G

    2018-02-01

    Citrus fruit flavor is an important attribute prioritized in variety improvement. The present study compared juice volatiles compositions from 13 selected citrus genotypes, including six mandarins (Citrus reticulata), three sour oranges (Citrus aurantium), one blood orange (Citrus sinensis), one lime (Citrus limonia), one Clementine (Citrus clementina) and one satsuma (Citrus unshiu). Large differences were observed with respect to volatile compositions among the citrus genotypes. 'Goutou' sour orange contained the greatest number of volatile compounds and the largest volatile production level. 'Ponkan' mandarin had the smallest number of volatiles and 'Owari' satsuma yielded the lowest volatile production level. 'Goutou' sour orange and 'Moro' blood orange were clearly distinguished from other citrus genotypes based on the analysis of volatile compositions, even though they were assigned into one single group with two other sour oranges by the molecular marker profiles. The clustering analysis based on the aroma volatile compositions was able to differentiate mandarin varieties and natural sub-groups, and was also supported by the molecular marker study. The gas chromatography-mass spectrometry analysis of citrus juice aroma volatiles can be used as a tool to distinguish citrus genotypes and assist in the assessment of future citrus breeding programs. The aroma volatile profiles of the different citrus genotypes and inter-relationships detected among volatile compounds and among citrus genotypes will provide fundamental information on the development of marker-assisted selection in citrus breeding. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  20. A combined model of heat and mass transfer for the in situ extraction of volatile water from lunar regolith

    Science.gov (United States)

    Reiss, P.

    2018-05-01

    Chemical analysis of lunar soil samples often involves thermal processing to extract their volatile constituents, such as loosely adsorbed water. For the characterization of volatiles and their bonding mechanisms it is important to determine their desorption temperature. However, due to the low thermal diffusivity of lunar regolith, it might be difficult to reach a uniform heat distribution in a sample that is larger than only a few particles. Furthermore, the mass transport through such a sample is restricted, which might lead to a significant delay between actual desorption and measurable outgassing of volatiles from the sample. The entire volatiles extraction process depends on the dynamically changing heat and mass transfer within the sample, and is influenced by physical parameters such as porosity, tortuosity, gas density, temperature and pressure. To correctly interpret measurements of the extracted volatiles, it is important to understand the interaction between heat transfer, sorption, and gas transfer through the sample. The present paper discusses the molecular kinetics and mechanisms that are involved in the thermal extraction process and presents a combined parametrical computation model to simulate this process. The influence of water content on the gas diffusivity and thermal diffusivity is discussed and the issue of possible resorption of desorbed molecules within the sample is addressed. Based on the multi-physical computation model, a case study for the ProSPA instrument for in situ analysis of lunar volatiles is presented, which predicts relevant dynamic process parameters, such as gas pressure and process duration.

  1. Efficient modeling of reactive transport phenomena by a multispecies random walk coupled to chemical equilibrium

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1996-01-01

    Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions

  2. Noctuidae-induced plant volatiles: current situation and prospects

    Directory of Open Access Journals (Sweden)

    Vanusa Rodrigues Horas

    2014-01-01

    Full Text Available Noctuids are phytophagous lepidopterans with some species causing significant damage to agriculture. The host plants, in turn, have developed defense mechanisms to cope with them, for instance chemical defenses. In this study we review the literature on plant volatiles induced by noctuids, and discuss the methodologies used to induce the production of volatiles that are usually employed in plant defense mechanisms. Future prospects involving this line of research in pest control are also discussed.

  3. Enhancing the design of in situ chemical barriers with multicomponent reactive transport modeling

    International Nuclear Information System (INIS)

    Sevougian, S.D.; Steefel, C.I.; Yabusaki, S.B.

    1994-11-01

    This paper addresses the need for systematic control of field-scale performance in the emplacement and operation of in situ chemical treatment barriers; in particular, it addresses the issue of how the local coupling of reaction kinetics and material heterogeneities at the laboratory or bench scale can be accurately upscaled to the field. The authors have recently developed modeling analysis tools that can explicitly account for all relevant chemical reactions that accompany the transport of reagents and contaminants through a chemically and physically heterogeneous subsurface rock or soil matrix. These tools are incorporated into an enhanced design methodology for in situ chemical treatment technologies, and the new methodology is demonstrated in the ongoing design of a field experiment for the In Situ Redox Manipulation (ISRM) project at the U.S. Department of Energy (DOE) Hanford Site. The ISRM design approach, which systematically integrates bench-scale and site characterization information, provides an ideal test for the new reactive transport techniques. The need for the enhanced chemistry capability is demonstrated by an example that shows how intra-aqueous redox kinetics can affect the transport of reactive solutes. Simulations are carried out on massively parallel computer architectures to resolve the influence of multiscale heterogeneities on multicomponent, multidimensional reactive transport. The technology will soon be available to design larger-scale remediation schemes

  4. Seasonal variation and volatility of ultra-fine particles in coastal Antarctic troposphere

    Directory of Open Access Journals (Sweden)

    Keiichiro Hara

    2010-12-01

    Full Text Available The Size distribution and volatility of ultrafine aerosol particles were measured at Syowa Station during the 46-47 Japanese Antarctic Research Expeditions. During the summer, most of the ultrafine particles were volatile particles, which were composed of H_2SO_4, CH_3SO_3H and sulfates bi-sulfates. The abundance of non-volatile particles was ~ 20% during the summer, increasing to>90% in winter-spring. Non-volatile particles in winter were dominantly sea-salt particles. Some ultrafine sea-salt particles might be released from sea-ice. When air mass was transported from the free troposphere over the Antarctic continent, the abundance of non-volatile particles dropped to<30% even in winter.

  5. Chemical Analysis of Whale Breath Volatiles: A Case Study for Non-Invasive Field Health Diagnostics of Marine Mammals

    Directory of Open Access Journals (Sweden)

    Raquel Cumeras

    2014-09-01

    Full Text Available We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs. Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap. The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME and gas chromatography/mass spectrometry (GC/MS. A total of 70 chemicals were identified (58 positively identified in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

  6. Chemical analysis of whale breath volatiles: a case study for non-invasive field health diagnostics of marine mammals.

    Science.gov (United States)

    Cumeras, Raquel; Cheung, William H K; Gulland, Frances; Goley, Dawn; Davis, Cristina E

    2014-09-12

    We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus) for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC) profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs). Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap). The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME) and gas chromatography/mass spectrometry (GC/MS). A total of 70 chemicals were identified (58 positively identified) in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

  7. Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

    Science.gov (United States)

    Octaviani, Mega; Tost, Holger; Lammel, Gerhard

    2017-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

  8. New Approach to Evaluate the Antennal Response of an Adult Predator Insect to Different Volatile Chemical Compounds by using Electroantennogram Technique

    Science.gov (United States)

    Shonouda, Mourad L.

    The antennal response of adult syrphid flies to selected plant volatile chemical compounds was investigated in the present study. The main chemical classes and their chemical compounds were aldehydes (nonanal and benzaldehyde), monoterpene-alcohols (linalool and alpha-terpineol), ketones (6-methyl-5-heptene-2-one and 2-undecanone), hydrocarbons (tetradecane) and benzoids (methyl salicylate). Electroantennogram (EAG) records showed that the syrphid antennae were strongly responded to linalool, 6-methyl-5-heptene-2-one and methyl salicylate even at low concentrations, in addition to the high dose concentration of nonanal comparably to the other chemical compounds. The antennae of old syrphid adults were more responsive and elicited higher levels of responses to all compounds rather than young syrphid adults. The antennal sensitivity may differ from one compound to another according to the sex. The difference in responses could be attributed to the sensitivity of olfactory receptors and/or the characterization of binding protein(s). The quality of biocontrol agent could be improved if the chemical interaction between beneficial natural enemies and the surrounding environment is intensively studied and we clearly understand the chemical ecology of each natural enemy.

  9. Transport-induced shifts in condensate dew-point and composition in multicomponent systems with chemical reaction

    Science.gov (United States)

    Rosner, D. E.; Nagarajan, R.

    1985-01-01

    Partial heterogeneous condensation phenomena in multicomponent reacting systems are analyzed taking into consideration the chemical element transport phenomena. It is demonstrated that the dew-point surface temperature in chemically reactive systems is not a purely thermodynamic quantity, but is influenced by the multicomponent diffusion and Soret-mass diffusion phenomena. Several distinct dew-points are shown to exist in such systems and, as a result of transport constraints, the 'sharp' locus between two chemically distinct condensates is systematically moved to a difference mainstream composition.

  10. Transport Coefficients for the NASA Lewis Chemical Equilibrium Program

    Science.gov (United States)

    Svehla, Roger A.

    1995-01-01

    The new transport property data that will be used in the NASA Lewis Research Center's Chemical Equilibrium and Applications Program (CEA) is presented. It complements a previous publication that documented the thermodynamic and transport property data then in use. Sources of the data and a brief description of the method by which the data were obtained are given. Coefficients to calculate the viscosity, thermal conductivity, and binary interactions are given for either one, or usually, two temperature intervals, typically 300 to 1000 K and 1000 to 5000 K. The form of the transport equation is the same as used previously. The number of species was reduced from the previous database. Many species for which the data were estimated were eliminated from the database. Some ionneutral interactions were added.

  11. Rapid continuous chemical methods for studies of nuclei far from stability

    CERN Document Server

    Trautmann, N; Eriksen, D; Gaggeler, H; Greulich, N; Hickmann, U; Kaffrell, N; Skarnemark, G; Stender, E; Zendel, M

    1981-01-01

    Fast continuous separation methods accomplished by combining a gas-jet recoil-transport system with a variety of chemical systems are described. Procedures for the isolation of individual elements from fission product mixtures with the multistage solvent extraction facility SISAK are presented. Thermochromatography in connection with a gas-jet has been studied as a technique for on-line separation of volatile fission halides. Based on chemical reactions in a gas-jet system itself separation procedures for tellurium, selenium and germanium from fission products have been worked out. All the continuous chemical methods can be performed within a few seconds. The application of such procedures to the investigation of nuclides far from the line of beta -stability is illustrated by a few examples. (16 refs).

  12. Source identification and airborne chemical characterisation of aerosol pollution from long-range transport over Greenland during POLARCAT summer campaign 2008

    Directory of Open Access Journals (Sweden)

    J. Schmale

    2011-10-01

    Full Text Available We deployed an aerosol mass spectrometer during the POLARCAT (Polar Study using Aircraft, Remote Sensing, Surface Measurements and Models, of Climate, Chemistry, Aerosols, and Transport summer campaign in Greenland in June/July 2008 on the research aircraft ATR-42. Online size resolved chemical composition data of submicron aerosol were collected up to 7.6 km altitude in the region 60 to 71° N and 40 to 60° W. Biomass burning (BB and fossil fuel combustion (FF plumes originating from North America, Asia, Siberia and Europe were sampled. Transport pathways of detected plumes included advection below 700 hPa, air mass uplifting in warm conveyor belts, and high altitude transport in the upper troposphere. By means of the Lagrangian particle dispersion model FLEXPART, trace gas analysis of O3 and CO, particle size distributions and aerosol chemical composition 48 pollution events were identified and classified into five chemically distinct categories. Aerosol from North American BB consisted of 22% particulate sulphate, while with increasing anthropogenic and Asian influence aerosol in Asian FF dominated plumes was composed of up to 37% sulphate category mean value. Overall, it was found that the organic matter fraction was larger (85% in pollution plumes than for background conditions (71%. Despite different source regions and emission types the particle oxygen to carbon ratio of all plume classes was around 1 indicating low-volatility highly oxygenated aerosol. The volume size distribution of out-of-plume aerosol showed markedly smaller modes than all other distributions with two Aitken mode diameters of 24 and 43 nm and a geometric standard deviation σg of 1.12 and 1.22, respectively, while another very broad mode was found at 490 nm (σg = 2.35. Nearly pure BB particles from North America exhibited an Aitken mode at 66 nm (σg = 1.46 and an accumulation mode diameter of 392 nm (σg = 1

  13. Chemical Transport Models on Accelerator Architectures

    Science.gov (United States)

    Linford, J.; Sandu, A.

    2008-12-01

    Heterogeneous multicore chipsets with many layers of polymorphic parallelism are becoming increasingly common in high-performance computing systems. Homogeneous co-processors with many streaming processors also offer unprecedented peak floating-point performance. Effective use of parallelism in these new chipsets is paramount. We present optimization techniques for 3D chemical transport models to take full advantage of emerging Cell Broadband Engine and graphical processing unit (GPU) technology. Our techniques achieve 2.15x the per-node performance of an IBM BlueGene/P on the Cell Broadband Engine, and a strongly-scalable 1.75x the per-node performance of an IBM BlueGene/P on an NVIDIA GeForce 8600.

  14. Volatility measurement of atmospheric submicron aerosols in an urban atmosphere in southern China

    Science.gov (United States)

    Cao, Li-Ming; Huang, Xiao-Feng; Li, Yuan-Yuan; Hu, Min; He, Ling-Yan

    2018-02-01

    Aerosol pollution has been a very serious environmental problem in China for many years. The volatility of aerosols can affect the distribution of compounds in the gas and aerosol phases, the atmospheric fates of the corresponding components, and the measurement of the concentration of aerosols. Compared to the characterization of chemical composition, few studies have focused on the volatility of aerosols in China. In this study, a thermodenuder aerosol mass spectrometer (TD-AMS) system was deployed to study the volatility of non-refractory submicron particulate matter (PM1) species during winter in Shenzhen. To our knowledge, this paper is the first report of the volatilities of aerosol chemical components based on a TD-AMS system in China. The average PM1 mass concentration during the experiment was 42.7±20.1 µg m-3, with organic aerosol (OA) being the most abundant component (43.2 % of the total mass). The volatility of chemical species measured by the AMS varied, with nitrate showing the highest volatility, with a mass fraction remaining (MFR) of 0.57 at 50 °C. Organics showed semi-volatile characteristics (the MFR was 0.88 at 50 °C), and the volatility had a relatively linear correlation with the TD temperature (from the ambient temperature to 200 °C), with an evaporation rate of 0.45 % °C-1. Five subtypes of OA were resolved from total OA using positive matrix factorization (PMF) for data obtained under both ambient temperature and high temperatures through the TD, including a hydrocarbon-like OA (HOA, accounting for 13.5 %), a cooking OA (COA, 20.6 %), a biomass-burning OA (BBOA, 8.9 %), and two oxygenated OAs (OOAs): a less-oxidized OOA (LO-OOA, 39.1 %) and a more-oxidized OOA (MO-OOA, 17.9 %). Different OA factors presented different volatilities, and the volatility sequence of the OA factors at 50 °C was HOA (MFR of 0.56) > LO-OOA (0.70) > COA (0.85) ≈ BBOA (0.87) > MO-OOA (0.99), which was not completely consistent with the sequence of their O

  15. Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

    NARCIS (Netherlands)

    Cornelissen, L J; Peters, K J H; Bauer, G. E. W.; Duine, R A; van Wees, B J

    2016-01-01

    We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

  16. Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

    NARCIS (Netherlands)

    Cornelissen, L.J.; Peters, K. J H; Bauer, G.E.; Duine, R. A.; Van Wees, B. J.

    2016-01-01

    We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

  17. Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

    NARCIS (Netherlands)

    Cornelissen, Ludo J.; Peters, Kevin J. H.; Duine, Rembert A.|info:eu-repo/dai/nl/304830127; Bauer, Gerrit E. W.; Wees, Bart J. van

    2016-01-01

    We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

  18. A volatile topic: Parsing out the details of Earth's formation through experimental metal-silicate partitioning of volatile and moderately volatile elements

    Science.gov (United States)

    Mahan, B. M.; Siebert, J.; Blanchard, I.; Badro, J.; Sossi, P.; Moynier, F.

    2017-12-01

    Volatile and moderately volatile elements display different volatilities and siderophilities, as well as varying sensitivity to thermodynamic controls (X, P, T, fO2) during metal-silicate differentiation. The experimental determination of the metal-silicate partitioning of these elements permits us to evaluate processes controlling the distribution of these elements in Earth. In this work, we have combined metal-silicate partitioning data and results for S, Sn, Zn and Cu, and input these characterizations into Earth formation models. Model parameters such as source material, timing of volatile delivery, fO2 path, and degree of impactor equilibration were varied to encompass an array of possible formation scenarios. These models were then assessed to discern plausible sets of conditions that can produce current observed element-to-element ratios (e.g. S/Zn) in the Earth's present-day mantle, while also satisfying current estimates on the S content of the core, at no more than 2 wt%. The results of our models indicate two modes of accretion that can maintain chondritic element-to-element ratios for the bulk Earth and can arrive at present-day mantle abundances of these elements. The first mode requires the late addition of Earth's entire inventory of these elements (assuming a CI-chondritic composition) and late-stage accretion that is marked by partial equilibration of large impactors. The second, possibly more intuitive mode, requires that Earth accreted - at least initially - from volatile poor material preferentially depleted in S relative to Sn, Zn, and Cu. From a chemical standpoint, this source material is most similar to type I chondrule rich (and S poor) materials (Hewins and Herzberg, 1996; Mahan et al., 2017; Amsellem et al., 2017), such as the metal-bearing carbonaceous chondrites.

  19. A dispersion model of transport media in radiotracer investigations on selected chemical installations

    International Nuclear Information System (INIS)

    Iller, E.

    1999-01-01

    Tracer investigations of media transport through chemical reactors play a significant role in the chemical technology. They provide the basis for the determination of some important process parameters, such as flow character of the transported medium, degree of utilisation of the reactor volume during chemical transitions of substrates or even indicate possible mechanisms of chemical reactions. Determination of the medium flow characteristics is closely connected with the mathematical description of the process - a mathematical model of transport. The method of assessment of radiotracers suitability for the investigation of distillation processes presented in this paper allows to determine, in a simple manner, the parameters of distillation characteristics of the radionuclides, the average distillation temperature, the range of distillation temperatures, a suitable radiochemical purity. These parameters precisely determine the behavior of tracers to be expected in a wide range of variable conditions of the distillation process. Applications of tracer tested in such a manner to the investigations of dynamics of media in the industrial rectification columns has resulted in obtaining a dependable evaluation of the performance of these columns in a wide range of changes of their operational parameters. Particular attention has been paid to dynamics of the liquid [phase on the column plate. A dispersion model of liquid flow with hold-up zones has been proposed for the description of the liquid phase transport in the plate - overall assembly.The model consists of a number of flow and stagnant zones, with mass transfer between them. Another example of practical application of results from radiotracer investigation is an analysis of of phase dynamics in the installations designed for the process of liquefaction of Polish coals by means of their catalytic hydrogenation. For the analysis of phase transport in a reaction vessel various mathematical models were applied with

  20. Some Sensitivity Studies of Chemical Transport Simulated in Models of the Soil-Plant-Litter System

    Energy Technology Data Exchange (ETDEWEB)

    Begovich, C.L.

    2002-10-28

    Fifteen parameters in a set of five coupled models describing carbon, water, and chemical dynamics in the soil-plant-litter system were varied in a sensitivity analysis of model response. Results are presented for chemical distribution in the components of soil, plants, and litter along with selected responses of biomass, internal chemical transport (xylem and phloem pathways), and chemical uptake. Response and sensitivity coefficients are presented for up to 102 model outputs in an appendix. Two soil properties (chemical distribution coefficient and chemical solubility) and three plant properties (leaf chemical permeability, cuticle thickness, and root chemical conductivity) had the greatest influence on chemical transport in the soil-plant-litter system under the conditions examined. Pollutant gas uptake (SO{sub 2}) increased with change in plant properties that increased plant growth. Heavy metal dynamics in litter responded to plant properties (phloem resistance, respiration characteristics) which induced changes in the chemical cycling to the litter system. Some of the SO{sub 2} and heavy metal responses were not expected but became apparent through the modeling analysis.

  1. Long-range atmospheric transport of volatile monocarboxylic acids with Asian dust over a high mountain snow site, central Japan

    Directory of Open Access Journals (Sweden)

    T. Mochizuki

    2016-11-01

    Full Text Available To understand the long-range transport of monocarboxylic acids from the Asian continent to the Japanese islands, we collected snowpack samples from a pit sequence (depth ca. 6 m at the Murodo-Daira snowfield near the summit of Mt. Tateyama, central Japan, in 2009 and 2011. Snow samples (n = 16 were analyzed for normal (C1–C10, branched chain (iC4–iC6, aromatic (benzoic and toluic acid isomers, and hydroxyl (glycolic and lactic monocarboxylic acids, together with inorganic ions and dissolved organic carbon (DOC. Acetic acid (C2 was found to be a dominant species (average 125 ng g−1, followed by formic acid (C1 (85.7 ng g−1 and isopentanoic acid (iC5 (20.0 ng g−1. We found a strong correlation (r =  0.88 between formic plus acetic acids and non-sea-salt Ca2+ that is a proxy of Asian dust. Contributions of total monocarboxylic acids to DOC in 2009 (21.2 ± 11.6 % were higher than that in 2011 (3.75 ± 2.62 %, being consistent with higher intensity of Asian dust in 2009 than in 2011. Formic plus acetic acids also showed a positive correlation (r =  0.90 with benzoic acid that is a tracer of automobile exhaust, indicating that monocarboxylic acids and their precursors are largely emitted from anthropogenic sources in China and/or secondarily produced in the atmosphere by photochemical processing. In addition, the ratio of formic plus acetic acids to nss–Ca2+ (0.27 was significantly higher than those (0.00036–0.0018 obtained for reference dust materials of Chinese loess deposits from the Tengger and Gobi deserts. This result suggests that volatile and semi-volatile organic acids are adsorbed on the alkaline dust particles during long-range atmospheric transport. Entrainment of organic acids by dusts is supported by a good correlation (r = 0.87 between formic plus acetic acids and pH of melt snow samples. Our study suggests that Asian alkaline dusts may be a carrier of volatile monocarboxylic

  2. Quantification of chemical transport processes from the soil to surface runoff.

    Science.gov (United States)

    Tian, Kun; Huang, Chi-Hua; Wang, Guang-Qian; Fu, Xu-Dong; Parker, Gary

    2013-01-01

    There is a good conceptual understanding of the processes that govern chemical transport from the soil to surface runoff, but few studies have actually quantified these processes separately. Thus, we designed a laboratory flow cell and experimental procedures to quantify the chemical transport from soil to runoff water in the following individual processes: (i) convection with a vertical hydraulic gradient, (ii) convection via surface flow or the Bernoulli effect, (iii) diffusion, and (iv) soil loss. We applied different vertical hydraulic gradients by setting the flow cell to generate different seepage or drainage conditions. Our data confirmed the general form of the convection-diffusion equation. However, we now have additional quantitative data that describe the contribution of each individual chemical loading process in different surface runoff and soil hydrological conditions. The results of this study will be useful for enhancing our understanding of different geochemical processes in the surface soil mixing zone. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  3. A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

    International Nuclear Information System (INIS)

    Alves, Giselle M; Kremer, Gilberto M; Marques, Wilson Jr; Soares, Ana Jacinta

    2011-01-01

    The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman–Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal–diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode

  4. A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

    Science.gov (United States)

    Alves, Giselle M.; Kremer, Gilberto M.; Marques, Wilson, Jr.; Jacinta Soares, Ana

    2011-03-01

    The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman-Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal-diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode.

  5. Bacterial contribution to iodine volatilization in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Amachi, S; Kasahara, M; Fujii, T [Chiba Univ., Dept. of Bioresources Chemistry, Matsudo, Chiba (Japan); Muramatsu, Y [National Inst. of Radiological Sciences, Chiba (Japan)

    2003-09-01

    The roles of microorganisms in iodine volatilization from the environment were studied. More than 100 bacterial strains were isolated from various environments such as soils, seawater and marine sediments, and were examined their capacities for volatilizing iodine. Approximately 40% of these bacteria showed significant capacities for volatilizing iodine. Gas chromatographic determinations revealed that the chemical species of gaseous iodine is methyl iodide (CH{sub 3}I). Phylogenetic analysis based on 16S ribosomal DNA showed that these 'iodine-volatilizing bacteria' are widely distributed through the bacterial domain. The iodide-methylating reaction was mediated by an enzyme protein with S-adenosyl-L-methionine (SAM) as the methyl donor. We then estimated bacterial contribution to iodine volatilization from soils. Iodine in soils was volatilized mainly as CH{sub 3}I. CH{sub 3}I emission was enhanced in the presence of glucose or yeast extract, but was inhibited by autoclaving of soils. Little CH{sub 3}I was produced under anaerobic conditions. Furthermore, the addition of streptomycin and tetracycline, antibiotics which inhibit bacterial growth, strongly inhibited CH{sub 3}I emission, while a fungal inhibitor cycloheximide caused little effect. These results suggest that iodine in soils is volatilized as CH{sub 3}I mainly by the action of aerobic soil bacteria. Similar experiment was carried out by using sea water samples. The emission of iodine from sea waters occurred biologically, and bacterial (and also other microbial) contribution was confirmed. Our results suggest that iodine is methylated and volatilized into the atmosphere as a result of bacterial activities. Since bacteria are so abundant and widespread in the environments, they may significantly contribute to global iodine volatilization. This indicates that if {sup 129}I would be released from nuclear facilities, weapons testing or ground storage of nuclear wastes, the pathway of volatilization by

  6. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    -Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has...... their individual sorption hysteresis isotherm which is of great importance when describing non fully water saturated system e.g. caused by time depended boundary conditions. Chemical equilibrium is also established in each node of the discrete system, where the rate of chemical degradation is determined.......g. charge balance, from the mass transport calculation could cause the above mentioned numerical problems. Two different test cases are studied, the sorption hysteresis in different depth of the sample, caused by time depended boundary condition and the chemical degradation of the solid matrix in a ten year...

  7. Analysis of volatile compounds of Malaysian Tualang ( Koompassia ...

    African Journals Online (AJOL)

    Analysis of volatile compounds of Malaysian Tualang ( Koompassia excelsa ) honey using gas chromatography mass spectrometry. ... Other classes of chemical compounds detected included acids, aldehydes, alcohols, ketones, terpenes, furans and a miscellaneous group. Methanol yielded the highest number of extracted ...

  8. STRATAQ: A three-dimensional Chemical Transport Model of the stratosphere

    Directory of Open Access Journals (Sweden)

    B. Grassi

    2002-06-01

    Full Text Available A three-dimensional (3-D Chemical Transport Model (CTM of the stratosphere has been developed and used for a test study of the evolution of chemical species in the arctic lower stratosphere during winter 1996/97. This particular winter has been chosen for testing the model’s capabilities for its remarkable dynamical situation (very cold and strong polar vortex along with the availability of sparse chlorine, HNO3 and O3 data, showing also very low O3 values in late March/April. Due to those unusual features, the winter 1996/97 can be considered an excellent example of the impact of both dynamics and heterogeneous reactions on the chemistry of the stratosphere. Model integration has been performed from January to March 1997 and the resulting long-lived and short-lived tracer fields compared with available measurements. The model includes a detailed gas phase chemical scheme and a parameterization of the heterogeneous reactions occurring on liquid aerosol and polar stratospheric cloud (PSC surfaces. The transport is calculated using a semi-lagrangian flux scheme, forced by meteorological analyses. In such form, the STRATAQ CTM model is suitable for short-term integrations to study transport and chemical evolution related to "real" meteorological situations. Model simulation during the chosen winter shows intense PSC formation, with noticeable local HNO3 capture by PSCs, and the activation of vortex air leading to chlorine production and subsequent O3 destruction. The resulting model fields show generally good agreement with satellite data (MLS and TOMS, although the available observations, due to their limited number and time/space sparse nature, are not enough to effectively constraint the model. In particular, the model seems to perform well in reproducing the rapid processing of air inside the polar vortex on PSC converting reservoir species in active chlorine. In addition, it satisfactorily reproduces the morphology of the continuous O3

  9. STRATAQ: A three-dimensional Chemical Transport Model of the stratosphere

    Directory of Open Access Journals (Sweden)

    B. Grassi

    Full Text Available A three-dimensional (3-D Chemical Transport Model (CTM of the stratosphere has been developed and used for a test study of the evolution of chemical species in the arctic lower stratosphere during winter 1996/97. This particular winter has been chosen for testing the model’s capabilities for its remarkable dynamical situation (very cold and strong polar vortex along with the availability of sparse chlorine, HNO3 and O3 data, showing also very low O3 values in late March/April. Due to those unusual features, the winter 1996/97 can be considered an excellent example of the impact of both dynamics and heterogeneous reactions on the chemistry of the stratosphere. Model integration has been performed from January to March 1997 and the resulting long-lived and short-lived tracer fields compared with available measurements. The model includes a detailed gas phase chemical scheme and a parameterization of the heterogeneous reactions occurring on liquid aerosol and polar stratospheric cloud (PSC surfaces. The transport is calculated using a semi-lagrangian flux scheme, forced by meteorological analyses. In such form, the STRATAQ CTM model is suitable for short-term integrations to study transport and chemical evolution related to "real" meteorological situations. Model simulation during the chosen winter shows intense PSC formation, with noticeable local HNO3 capture by PSCs, and the activation of vortex air leading to chlorine production and subsequent O3 destruction. The resulting model fields show generally good agreement with satellite data (MLS and TOMS, although the available observations, due to their limited number and time/space sparse nature, are not enough to effectively constraint the model. In particular, the model seems to perform well in reproducing the rapid processing of air inside the polar vortex on PSC converting reservoir species in active chlorine. In addition, it

  10. A global perspective on aerosol from low-volatility organic compounds

    Directory of Open Access Journals (Sweden)

    H. O. T. Pye

    2010-05-01

    Full Text Available Global production of organic aerosol from primary emissions of semivolatile (SVOCs and intermediate (IVOCs volatility organic compounds is estimated using the global chemical transport model, GEOS-Chem. SVOC oxidation is predicted to be a larger global source of net aerosol production than oxidation of traditional parent hydrocarbons (terpenes, isoprene, and aromatics. Using a prescribed rate constant and reduction in volatility for atmospheric oxidation, the yield of aerosol from SVOCs is predicted to be about 75% on a global, annually-averaged basis. For IVOCs, the use of a naphthalene-like surrogate with different high-NOx and low-NOx parameterizations produces a global aerosol yield of about 30%, or roughly 5 Tg/yr of aerosol. Estimates of the total global organic aerosol source presented here range between 60 and 100 Tg/yr. This range reflects uncertainty in the parameters for SVOC volatility, SVOC oxidation, SVOC emissions, and IVOC emissions, as well as wet deposition. The highest estimates result if SVOC emissions are significantly underestimated (by more than a factor of 2 or if wet deposition of the gas-phase semivolatile species is less effective than previous estimates. A significant increase in SVOC emissions, a reduction of the volatility of the SVOC emissions, or an increase in the enthalpy of vaporization of the organic aerosol all lead to an appreciable reduction of prediction/measurement discrepancy. In addition, if current primary organic aerosol (POA inventories capture only about one-half of the SVOC emission and the Henrys Law coefficient for oxidized semivolatiles is on the order of 103 M/atm, a global estimate of OA production is not inconsistent with the top-down estimate of 140 Tg/yr by (Goldstein and Galbally, 2007. Additional information is needed to constrain the emissions and treatment of SVOCs and IVOCs, which have traditionally not been included in models.

  11. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    International Nuclear Information System (INIS)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

  12. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

    Science.gov (United States)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

    2007-06-16

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  13. Characteristics of the volatile organic compounds -- Arid Integrated Demonstration Site

    International Nuclear Information System (INIS)

    Last, G.V.; Lenhard, R.J.; Bjornstad, B.N.; Evans, J.C.; Roberson, K.R.; Spane, F.A.; Amonette, J.E.; Rockhold, M.L.

    1991-10-01

    The Volatile Organic Compounds -- Arid Integrated Demonstration Program (VOC-Arid ID) is targeted at demonstration and testing of technologies for the evaluation and cleanup of volatile organic compounds and associated contaminants at arid DOE sites. The initial demonstration site is an area of carbon tetrachloride (CCl 4 ) contamination located near the center of the Hanford Site. The movement of CCl 4 and other volatile organic contaminants in the subsurface is very complex. The problem at the Hanford Site is further complicated by the concurrent discharge of other waste constituents including acids, lard oil, organic phosphates, and transuranic radionuclides. In addition, the subsurface environment is very complex, with large spatial variabilities in hydraulic properties. A thorough understanding of the problem is essential to the selection of appropriate containment, retrieval, and/or in situ remedial technologies. The effectiveness of remedial technologies depends on knowing where the contaminants are, how they are held up in a given physical and chemical subsurface environment; and knowing the physical, chemical, and microbiological changes that are induced by the various remedial technologies

  14. First experimental observations on melting and chemical modification of volcanic ash during lightning interaction.

    Science.gov (United States)

    Mueller, S P; Helo, C; Keller, F; Taddeucci, J; Castro, J M

    2018-01-23

    Electrification in volcanic ash plumes often leads to syn-eruptive lightning discharges. High temperatures in and around lightning plasma channels have the potential to chemically alter, re-melt, and possibly volatilize ash fragments in the eruption cloud. In this study, we experimentally simulate temperature conditions of volcanic lightning in the laboratory, and systematically investigate the effects of rapid melting on the morphology and chemical composition of ash. Samples of different size and composition are ejected towards an artificially generated electrical arc. Post-experiment ash morphologies include fully melted spheres, partially melted particles, agglomerates, and vesiculated particles. High-speed imaging reveals various processes occurring during the short lightning-ash interactions, such as particle melting and rounding, foaming, and explosive particle fragmentation. Chemical analyses of the flash-melted particles reveal considerable bulk loss of Cl, S, P and Na through thermal vaporization. Element distribution patterns suggest convection as a key process of element transport from the interior of the melt droplet to rim where volatiles are lost. Modeling the degree of sodium loss delivers maximum melt temperatures between 3290 and 3490 K. Our results imply that natural lighting strikes may be an important agent of syn-eruptive morphological and chemical processing of volcanic ash.

  15. Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

    Science.gov (United States)

    Rod, Kenton; Um, Wooyong; Chun, Jaehun; Wu, Ning; Yin, Xialong; Wang, Guohui; Neeves, Keith

    2018-06-01

    A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d-1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500-600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500-600 μm and 300-400 μm). A chemical heterogeneity was created using 25% of the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500-600 μm). Input solution with 0.5 mM CsI and 50 mg L-1 colloids (1-μm diameter SiO2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.

  16. Pricing Volatility of Stock Returns with Volatile and Persistent Components

    DEFF Research Database (Denmark)

    Zhu, Jie

    In this paper a two-component volatility model based on the component's first moment is introduced to describe the dynamic of speculative return volatility. The two components capture the volatile and persistent part of volatility respectively. Then the model is applied to 10 Asia-Pacific stock m......, a positive or risk-premium effect exists between return and the volatile component, yet the persistent component is not significantly priced for return dynamic process....... markets. Their in-mean effects on return are also tested. The empirical results show that the persistent component accounts much more for volatility dynamic process than the volatile component. However the volatile component is found to be a significant pricing factor of asset returns for most markets...

  17. CONSISTENT USE OF THE KALMAN FILTER IN CHEMICAL TRANSPORT MODELS (CTMS) FOR DEDUCING EMISSIONS

    Science.gov (United States)

    Past research has shown that emissions can be deduced using observed concentrations of a chemical, a Chemical Transport Model (CTM), and the Kalman filter in an inverse modeling application. An expression was derived for the relationship between the "observable" (i.e., the con...

  18. Testing for Volatility Co-movement in Bivariate Stochastic Volatility Models

    OpenAIRE

    Chen, Jinghui; Kobayashi, Masahito; McAleer, Michael

    2017-01-01

    markdownabstractThe paper considers the problem of volatility co-movement, namely as to whether two financial returns have perfectly correlated common volatility process, in the framework of multivariate stochastic volatility models and proposes a test which checks the volatility co-movement. The proposed test is a stochastic volatility version of the co-movement test proposed by Engle and Susmel (1993), who investigated whether international equity markets have volatility co-movement using t...

  19. Endogenous Lunar Volatiles

    Science.gov (United States)

    McCubbin, F. M.; Liu, Y.; Barnes, J. J.; Boyce, J. W.; Day, J. M. D.; Elardo, S. M.; Hui, H.; Magna, T.; Ni, P.; Tartese, R.; hide

    2017-01-01

    The chapter will begin with an introduction that defines magmatic volatiles (e.g., H, F, Cl, S) versus geochemical volatiles (e.g., K, Rb, Zn). We will discuss our approach of understanding both types of volatiles in lunar samples and lay the ground work for how we will determine the overall volatile budget of the Moon. We will then discuss the importance of endogenous volatiles in shaping the "Newer Views of the Moon", specifically how endogenous volatiles feed forward into processes such as the origin of the Moon, magmatic differentiation, volcanism, and secondary processes during surface and crustal interactions. After the introduction, we will include a re-view/synthesis on the current state of 1) apatite compositions (volatile abundances and isotopic compositions); 2) nominally anhydrous mineral phases (moderately to highly volatile); 3) volatile (moderately to highly volatile) abundances in and isotopic compositions of lunar pyroclastic glass beads; 4) volatile (moderately to highly volatile) abundances in and isotopic compositions of lunar basalts; 5) volatile (moderately to highly volatile) abundances in and isotopic compositions of melt inclusions; and finally 6) experimental constraints on mineral-melt partitioning of moderately to highly volatile elements under lunar conditions. We anticipate that each section will summarize results since 2007 and focus on new results published since the 2015 Am Min review paper on lunar volatiles [9]. The next section will discuss how to use sample abundances of volatiles to understand the source region and potential caveats in estimating source abundances of volatiles. The following section will include our best estimates of volatile abundances and isotopic compositions (where permitted by available data) for each volatile element of interest in a number of important lunar reservoirs, including the crust, mantle, KREEP, and bulk Moon. The final section of the chapter will focus upon future work, outstanding questions

  20. Oil and stock market volatility: A multivariate stochastic volatility perspective

    International Nuclear Information System (INIS)

    Vo, Minh

    2011-01-01

    This paper models the volatility of stock and oil futures markets using the multivariate stochastic volatility structure in an attempt to extract information intertwined in both markets for risk prediction. It offers four major findings. First, the stock and oil futures prices are inter-related. Their correlation follows a time-varying dynamic process and tends to increase when the markets are more volatile. Second, conditioned on the past information, the volatility in each market is very persistent, i.e., it varies in a predictable manner. Third, there is inter-market dependence in volatility. Innovations that hit either market can affect the volatility in the other market. In other words, conditioned on the persistence and the past volatility in their respective markets, the past volatility of the stock (oil futures) market also has predictive power over the future volatility of the oil futures (stock) market. Finally, the model produces more accurate Value-at-Risk estimates than other benchmarks commonly used in the financial industry. - Research Highlights: → This paper models the volatility of stock and oil futures markets using the multivariate stochastic volatility model. → The correlation between the two markets follows a time-varying dynamic process which tends to increase when the markets are more volatile. → The volatility in each market is very persistent. → Innovations that hit either market can affect the volatility in the other market. → The model produces more accurate Value-at-Risk estimates than other benchmarks commonly used in the financial industry.

  1. Continuity and Change: Dealing with Political Volatility to Advance Climate Change Mitigation Strategies—Examples from the Transport Sector

    Directory of Open Access Journals (Sweden)

    Oliver Lah

    2017-06-01

    Full Text Available As the recent withdrawal of the United States from the Paris Agreement has shown, political volatility directly affects climate change mitigation policies, in particular in sectors, such as transport associated with long-term investments by individuals (vehicles and by local and national governments (urban form and transport infrastructure and services. There is a large potential for cost-effective solutions to reduce greenhouse gas emissions and to improve the sustainability of the transport sector that is yet unexploited. Considering the cost-effectiveness and the potential for co-benefits, it is hard to understand why efficiency gains and CO2 emission reductions in the transport sector are still lagging behind this potential. Particularly interesting is the fact that there is substantial difference among countries with relatively similar economic performances in the development of their transport CO2 emissions over the past thirty years despite the fact that these countries had relatively similar access to efficient technologies and vehicles. This study aims to explore some well-established political science theories on the particular example of climate change mitigation in the transport sector in order to identify some of the factors that could help explain the variations in success of policies and strategies in this sector. The analysis suggests that institutional arrangements that contribute to consensus building in the political process provide a high level of political and policy stability which is vital to long-term changes in energy end-use sectors that rely on long-term investments. However, there is no direct correlation between institutional structures, e.g., corporatism and success in reducing greenhouse gas emissions in the transport sector. Environmental objectives need to be built into the consensus-based policy structure before actual policy progress can be observed. This usually takes longer in consensus democracies than in

  2. Volatile organic chemicals of a shore-dwelling cyanobacterial mat community.

    Science.gov (United States)

    Evans, W G

    1994-02-01

    The main components of a cyanobacterial mat community of a hypersaline lake shore consist of edaphic, mat-forming strains (ecophenes), and littoral strains ofOscillatoria animalis Agardh andO. subbrevis Schmidle, other microorganisms associated with these cyanobacteria, several species ofBembidion (Carabidae: Coleoptera), and two halophytic flowering plants:Puccinellia nuttalliana (salt meadow grass) andSalicornia europaea rubra (samphire). The volatile organic compounds of this community are a blend of those emitted by each of these components such as the C17 alka(e)nes, geosmin, 2-methylisoborneol,β-cyclocitral,β-ionone, dimethyl sulfide, and dimethyl trisulfide of cyanobacteria and associated microorganisms; alcohols, esters, and aldehydes usually associated with flowering plants; and possibly some insect-derived esters, particularly isopropyl tetradecanoate. The dominant compounds were: C11, C13, C15, and C17 alka(e)nes, methyl esters of C16 and C18:2 acids, isopropyl tetradecanoate, heptanal, 3-octanone and 2-nonanone, the acyclic terpene linalool, and the alcohols 1-heptanol, 1-hexanol, 1-octanol, 3-hexen-1-ol, and 2-octen-1-ol. It is concluded that this community may be distinguished from related communities by its repertoire of volatile organic compounds.

  3. Pricing Volatility of Stock Returns with Volatile and Persistent Components

    DEFF Research Database (Denmark)

    Zhu, Jie

    2009-01-01

    This paper introduces a two-component volatility model based on first moments of both components to describe the dynamics of speculative return volatility. The two components capture the volatile and the persistent part of volatility, respectively. The model is applied to 10 Asia-Pacific stock ma...... markets. A positive or risk-premium effect exists between the return and the volatile component, yet the persistent component is not significantly priced for the return dynamic process....... markets. Their in-mean effects on returns are tested. The empirical results show that the persistent component is much more important for the volatility dynamic process than is the volatile component. However, the volatile component is found to be a significant pricing factor of asset returns for most...

  4. Regulation and practice of workers' protection from chemical exposures during container handling

    DEFF Research Database (Denmark)

    Nørgaard Fløe Pedersen, Randi; Jepsen, Jørgen Riis; Ádám, Balázs

    2014-01-01

    instructions relate to container handling, the provided information is not sufficiently detailed to conduct safe practice in many aspects. In accordance with the scientific literature, the interviewees estimate that there is a high frequency (5 to 50%) of containers with hazardous chemical exposure......Background: Fumigation of freight containers to prevent spread of pests and off-gassing of freight are sources of volatile chemicals that may constitute significant health risks when released. The aim of the study was to investigate the regulation and practice of container handling in Denmark...... with focus on preventive measures to reduce risk of chemical exposure. Methods: A comprehensive systematic search of scientific literature, legislation and recommendations related to safe work with transport containers from international and Danish regulatory bodies was performed. The practice of handling...

  5. Volatility in energy prices

    International Nuclear Information System (INIS)

    Duffie, D.

    1999-01-01

    This chapter with 58 references reviews the modelling and empirical behaviour of volatility in energy prices. Constant volatility and stochastic volatility are discussed. Markovian models of stochastic volatility are described and the different classes of Markovian stochastic volatility model are examined including auto-regressive volatility, option implied and forecasted volatility, Garch volatility, Egarch volatility, multivariate Garch volatility, and stochastic volatility and dynamic hedging policies. Other volatility models and option hedging are considered. The performance of several stochastic volatility models as applied to heating oil, light oil, natural gas, electricity and light crude oil are compared

  6. Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC [Thermo-Hydro-Chemical Coupling

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1986-12-01

    A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements

  7. Chemical composition of the volatile extract and antioxidant activities of the volatile and nonvolatile extracts of Egyptian corn silk (Zea mays L.).

    Science.gov (United States)

    El-Ghorab, Ahmed; El-Massry, Khaled F; Shibamoto, Takayuki

    2007-10-31

    A total of 36 compounds, which comprised 99.4% of the extract, were identified by gas chromatography and mass spectrometry (GC-MS) in the volatile dichloromethane extract obtained from Egyptian corn silk. The main constituents of the volatile extract were cis-alpha-terpineol (24.22%), 6,11-oxidoacor-4-ene (18.06%), citronellol (16.18%), trans-pinocamphone (5.86%), eugenol (4.37%), neo-iso-3-thujanol (2.59%), and cis-sabinene hydrate (2.28%). Dried Egyptian corn silk was also directly extracted with petroleum ether, ethanol, and water. All extracts from solvent extraction and the volatile extract described above exhibited clear antioxidant activities at levels of 50-400 microg/mL in the 2,2-diphenyl-1-picrylhydrazyl (DPPH)/linoleic acid assay. The ethanol extract inhibited DPPH activity by 84% at a level of 400 microg/mL. All samples tested via the beta-carotene bleaching assay also exhibited satisfactory antioxidant activity with clear dose responses. This study indicates that corn silk could be used to produce novel natural antioxidants as well as a flavoring agent in various food products.

  8. Evaluation of the Volatility Basis-Set Approach for Modeling Primary and Secondary Organic Aerosol in the Mexico City Metropolitan Area

    Science.gov (United States)

    Tsimpidi, A. P.; Karydis, V. A.; Pandis, S. N.; Zavala, M.; Lei, W.; Molina, L. T.

    2007-12-01

    Anthropogenic air pollution is an increasingly serious problem for public health, agriculture, and global climate. Organic material (OM) contributes ~ 20-50% to the total fine aerosol mass at continental mid-latitudes. Although OM accounts for a large fraction of PM2.5 concentration worldwide, the contributions of primary and secondary organic aerosol have been difficult to quantify. In this study, new primary and secondary organic aerosol modules were added to PMCAMx, a three dimensional chemical transport model (Gaydos et al., 2007), for use with the SAPRC99 chemistry mechanism (Carter, 2000; ENVIRON, 2006) based on recent smog chamber studies (Robinson et al., 2007). The new modeling framework is based on the volatility basis-set approach (Lane et al., 2007): both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The emission inventory, which uses as starting point the MCMA 2004 official inventory (CAM, 2006), is modified and the primary organic aerosol (POA) emissions are distributed by volatility based on dilution experiments (Robinson et al., 2007). Sensitivity tests where POA is considered as nonvolatile and POA and SOA as chemically reactive are also described. In all cases PMCAMx is applied in the Mexico City Metropolitan Area during March 2006. The modeling domain covers a 180x180x6 km region in the MCMA with 3x3 km grid resolution. The model predictions are compared with Aerodyne's Aerosol Mass Spectrometry (AMS) observations from the MILAGRO Campaign. References Robinson, A. L.; Donahue, N. M.; Shrivastava, M. K.; Weitkamp, E. A.; Sage, A. M.; Grieshop, A. P.; Lane, T. E.; Pandis, S. N.; Pierce, J. R., 2007. Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259-1262. Gaydos, T. M.; Pinder, R. W.; Koo, B.; Fahey, K. M.; Pandis, S. N., 2007. Development and application of a three- dimensional aerosol

  9. Predicting soil, water, and air concentrations of environmental contaminants locally and regionally: Multimedia transport and transformation models

    International Nuclear Information System (INIS)

    McKone, T.E.; Daniels, J.I.

    1991-10-01

    Environmental scientists recognize that the environment functions as a complex, interconnected system. A realistic risk-management strategy for many contaminants requires a comprehensive and integrated assessment of local and regional transport and transformation processes. In response to this need, we have developed multimedia models that simulate the movement and transformation of chemicals as they spread through air, water, biota, soils, sediments, surface water, and ground water. Each component of the environment is treated as a homogeneous subsystem that can exchange water, nutrients, and chemical contaminants with other adjacent compartments. In this paper, we illustrate the use of multimedia models and measurements as tools for screening the potential risks of contaminants released to air and deposited onto soil and plants. The contaminant list includes the volatile organic compounds (VOCs) tetrachloroethylene (PCE) and trichloroethylene (TCE), the semi-volatile organic compound benzo(a)pyrene, and the radionuclides tritium and uranium-238. We examine how chemical properties effect both the ultimate route and quantity of human and ecosystem contact and identify sensitivities and uncertainties in the model results

  10. Volatile compounds and some physico-chemical properties of pastırma produced with different nitrate levels

    Directory of Open Access Journals (Sweden)

    Ahmet Akköse

    2017-08-01

    Full Text Available Objective The aim of the study was to evaluate the effects of different nitrate levels (150, 300, 450, and 600 ppm KNO3 on the volatile compounds and some other properties of pastırma. Methods Pastırma samples were produced under the controlled condition and analyses of volatile compounds, and thiobarbituric acid reactive substances (TBARS as an indicator of lipid oxidation, non-protein nitrogenous matter content as an indicator of proteolysis, color and residual nitrite were carried out on the final product. The profile of volatile compounds of pastırma samples was analyzed by gas chromatography/mass spectrometry using a solid phase microextraction. Results Nitrate level had a significant effect on pH value (p<0.05 and a very significant effect on TBARS value (p<0.01. No significant differences were determined in terms of aw value, non-protein nitrogenous substance content, color and residual nitrite between pastırma groups produced by using different nitrate levels. Nitrate level had a significant (p<0.05 or a very significant (p<0.01 effect on some volatile compounds. It was determined that the amounts and counts of volatile compounds were lower in the 450 and especially 600 ppm nitrate levels than 150 and 300 ppm nitrate levels (p<0.05. While the use of 600 ppm nitrate did not cause an increase in residual nitrite levels, the use of 150 ppm nitrate did not negatively affect the color of pastırma. However, the levels of volatile compounds decreased with an increasing level of nitrate. Conclusion The use of 600 ppm nitrate is not a risk in terms of residual nitrite in pastırma produced under controlled condition, however, this level is not suitable due to decrease in the amount of volatile compounds.

  11. Wintertime hygroscopicity and volatility of ambient urban aerosol particles

    Science.gov (United States)

    Enroth, Joonas; Mikkilä, Jyri; Németh, Zoltán; Kulmala, Markku; Salma, Imre

    2018-04-01

    Hygroscopic and volatile properties of atmospheric aerosol particles with dry diameters of (20), 50, 75, 110 and 145 nm were determined in situ by using a volatility-hygroscopicity tandem differential mobility analyser (VH-TDMA) system with a relative humidity of 90 % and denuding temperature of 270 °C in central Budapest during 2 months in winter 2014-2015. The probability density function of the hygroscopic growth factor (HGF) showed a distinct bimodal distribution. One of the modes was characterised by an overall mean HGF of approximately 1.07 (this corresponds to a hygroscopicity parameter κ of 0.033) independently of the particle size and was assigned to nearly hydrophobic (NH) particles. Its mean particle number fraction was large, and it decreased monotonically from 69 to 41 % with particle diameter. The other mode showed a mean HGF increasing slightly from 1.31 to 1.38 (κ values from 0.186 to 0.196) with particle diameter, and it was attributed to less hygroscopic (LH) particles. The mode with more hygroscopic particles was not identified. The probability density function of the volatility GF (VGF) also exhibited a distinct bimodal distribution with an overall mean VGF of approximately 0.96 independently of the particle size, and with another mean VGF increasing from 0.49 to 0.55 with particle diameter. The two modes were associated with less volatile (LV) and volatile (V) particles. The mean particle number fraction for the LV mode decreased from 34 to 21 % with particle diameter. The bimodal distributions indicated that the urban atmospheric aerosol contained an external mixture of particles with a diverse chemical composition. Particles corresponding to the NH and LV modes were assigned mainly to freshly emitted combustion particles, more specifically to vehicle emissions consisting of large mass fractions of soot likely coated with or containing some water-insoluble organic compounds such as non-hygroscopic hydrocarbon-like organics. The hygroscopic

  12. Production of chemicals and fuels from biomass

    Science.gov (United States)

    Qiao, Ming; Woods, Elizabeth; Myren, Paul; Cortright, Randy; Kania, John

    2018-01-23

    Methods, reactor systems, and catalysts are provided for converting in a continuous process biomass to fuels and chemicals, including methods of converting the water insoluble components of biomass, such as hemicellulose, cellulose and lignin, to volatile C.sub.2+O.sub.1-2 oxygenates, such as alcohols, ketones, cyclic ethers, esters, carboxylic acids, aldehydes, and mixtures thereof. In certain applications, the volatile C.sub.2+O.sub.1-2 oxygenates can be collected and used as a final chemical product, or used in downstream processes to produce liquid fuels, chemicals and other products.

  13. Volatility measurement of atmospheric submicron aerosols in an urban atmosphere in southern China

    Directory of Open Access Journals (Sweden)

    L.-M. Cao

    2018-02-01

    Full Text Available Aerosol pollution has been a very serious environmental problem in China for many years. The volatility of aerosols can affect the distribution of compounds in the gas and aerosol phases, the atmospheric fates of the corresponding components, and the measurement of the concentration of aerosols. Compared to the characterization of chemical composition, few studies have focused on the volatility of aerosols in China. In this study, a thermodenuder aerosol mass spectrometer (TD-AMS system was deployed to study the volatility of non-refractory submicron particulate matter (PM1 species during winter in Shenzhen. To our knowledge, this paper is the first report of the volatilities of aerosol chemical components based on a TD-AMS system in China. The average PM1 mass concentration during the experiment was 42.7±20.1 µg m−3, with organic aerosol (OA being the most abundant component (43.2 % of the total mass. The volatility of chemical species measured by the AMS varied, with nitrate showing the highest volatility, with a mass fraction remaining (MFR of 0.57 at 50 °C. Organics showed semi-volatile characteristics (the MFR was 0.88 at 50 °C, and the volatility had a relatively linear correlation with the TD temperature (from the ambient temperature to 200 °C, with an evaporation rate of 0.45 % °C−1. Five subtypes of OA were resolved from total OA using positive matrix factorization (PMF for data obtained under both ambient temperature and high temperatures through the TD, including a hydrocarbon-like OA (HOA, accounting for 13.5 %, a cooking OA (COA, 20.6 %, a biomass-burning OA (BBOA, 8.9 %, and two oxygenated OAs (OOAs: a less-oxidized OOA (LO-OOA, 39.1 % and a more-oxidized OOA (MO-OOA, 17.9 %. Different OA factors presented different volatilities, and the volatility sequence of the OA factors at 50 °C was HOA (MFR of 0.56  >  LO-OOA (0.70  >  COA (0.85  ≈  BBOA (0.87

  14. Cellular automaton model of mass transport with chemical reactions

    International Nuclear Information System (INIS)

    Karapiperis, T.; Blankleider, B.

    1993-10-01

    The transport and chemical reactions of solutes are modelled as a cellular automaton in which molecules of different species perform a random walk on a regular lattice and react according to a local probabilistic rule. The model describes advection and diffusion in a simple way, and as no restriction is placed on the number of particles at a lattice site, it is also able to describe a wide variety of chemical reactions. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. Simulations on one-and two-dimensional lattices show that the discrete model can be used to approximate the solutions of the continuum equations. We discuss discrepancies which arise from correlations between molecules and how these discrepancies disappear as the continuum limit is approached. Of particular interest are simulations displaying long-time behaviour which depends on long-wavelength statistical fluctuations not accounted for by the standard equations. The model is applied to the reactions a + b ↔ c and a + b → c with homogeneous and inhomogeneous initial conditions as well as to systems subject to autocatalytic reactions and displaying spontaneous formation of spatial concentration patterns. (author) 9 figs., 34 refs

  15. Estimation of the acute inhalation hazards of chemicals based on route-to-route and local endpoint extrapolation: Experience from Bulk Maritime Transport

    NARCIS (Netherlands)

    Höfer, T.; James, D.; Syversen, T.; Bowmer, T.

    2011-01-01

    Data on acute lethal inhalation toxicity from animal studies are commonly required for assessing the hazards to human health of volatile, gaseous and dusty chemicals or their mixtures. The International Maritime Organisation (IMO) made the provision of acute inhalation toxicity data a mandatory

  16. Different methods for volatile sampling in mammals.

    Directory of Open Access Journals (Sweden)

    Marlen Kücklich

    Full Text Available Previous studies showed that olfactory cues are important for mammalian communication. However, many specific compounds that convey information between conspecifics are still unknown. To understand mechanisms and functions of olfactory cues, olfactory signals such as volatile compounds emitted from individuals need to be assessed. Sampling of animals with and without scent glands was typically conducted using cotton swabs rubbed over the skin or fur and analysed by gas chromatography-mass spectrometry (GC-MS. However, this method has various drawbacks, including a high level of contaminations. Thus, we adapted two methods of volatile sampling from other research fields and compared them to sampling with cotton swabs. To do so we assessed the body odor of common marmosets (Callithrix jacchus using cotton swabs, thermal desorption (TD tubes and, alternatively, a mobile GC-MS device containing a thermal desorption trap. Overall, TD tubes comprised most compounds (N = 113, with half of those compounds being volatile (N = 52. The mobile GC-MS captured the fewest compounds (N = 35, of which all were volatile. Cotton swabs contained an intermediate number of compounds (N = 55, but very few volatiles (N = 10. Almost all compounds found with the mobile GC-MS were also captured with TD tubes (94%. Hence, we recommend TD tubes for state of the art sampling of body odor of mammals or other vertebrates, particularly for field studies, as they can be easily transported, stored and analysed with high performance instruments in the lab. Nevertheless, cotton swabs capture compounds which still may contribute to the body odor, e.g. after bacterial fermentation, while profiles from mobile GC-MS include only the most abundant volatiles of the body odor.

  17. Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial simulations

    Energy Technology Data Exchange (ETDEWEB)

    Phelan, J.M.; Webb, S.W.

    1997-06-01

    The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.

  18. Volatility Discovery

    DEFF Research Database (Denmark)

    Dias, Gustavo Fruet; Scherrer, Cristina; Papailias, Fotis

    The price discovery literature investigates how homogenous securities traded on different markets incorporate information into prices. We take this literature one step further and investigate how these markets contribute to stochastic volatility (volatility discovery). We formally show...... that the realized measures from homogenous securities share a fractional stochastic trend, which is a combination of the price and volatility discovery measures. Furthermore, we show that volatility discovery is associated with the way that market participants process information arrival (market sensitivity......). Finally, we compute volatility discovery for 30 actively traded stocks in the U.S. and report that Nyse and Arca dominate Nasdaq....

  19. Chemical intermediate detection following corona discharge on volatile organic compounds: general method using molecular beam techniques

    International Nuclear Information System (INIS)

    He Luning; Sulkes, Mark

    2011-01-01

    Nonthermal plasma (NTP)-based treatments of volatile organic compounds (VOCs) have potential for effective environmental remediation. Theory and experiment that consider the basic science pertaining to discharge events have helped improve NTP remediation outcomes. If direct information on early post-discharge chemical intermediates were also available, it would likely lead to additional improvement in NTP remediation outcomes. To this point, however, experiments yielding direct information on post-NTP VOC intermediates have been limited. An approach using supersonic expansion molecular beam methods offers general promise for detection of post-discharge VOC intermediates. To illustrate the potential utility of these methods, we present mass spectra showing the growth of early products formed when pulsed corona discharges were carried out on toluene in He and then in He with added O 2 . Good general detection of neutral post-discharge species was obtained using 800 nm 150 fs photoionization pulses.

  20. Chemical vapour transport of pyrite (FeS 2) with halogen (Cl, Br, I)

    Science.gov (United States)

    Fiechter, S.; Mai, J.; Ennaoui, A.; Szacki, W.

    1986-12-01

    A systematic study of chemical vapour transport (CVT) of pyrite with halogen, hydrogen halides and ammonium halides as transporting agents has shown that the transport with chlorine and bromine in a temperature gradient Δ T = 920-820 K yields the highest transport rates (˜6 mg/h) with crystals up to 5 mm edge length. Computing thermochemical equilibria and flux functions in the system Fe-S-Hal (Hal = Cl, Br, I) it has been confirmed that the transport velocity of pyrite is limited by the concentration of FeHal 2 in the vapour phase, the equilibrium position between FeHal 2(g) and FeHal 3(g) and the flux directions of the iron gas species.

  1. 40 CFR Table 2 to Subpart Jj of... - List of Volatile Hazardous Air Pollutants

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 10 2010-07-01 2010-07-01 false List of Volatile Hazardous Air Pollutants 2 Table 2 to Subpart JJ of Part 63 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY.... JJ, Table 2 Table 2 to Subpart JJ of Part 63—List of Volatile Hazardous Air Pollutants Chemical name...

  2. Chemical Evidence for Vertical Transport from Magma Chambers to the Surface During Mid-Ocean Ridge Volcanic Eruptions

    Science.gov (United States)

    Sinton, J. M.; Rubin, K. H.

    2009-12-01

    Many mid-ocean ridge eruptions show significant internal chemical heterogeneity; in general, the amount of chemical heterogeneity within eruptions scales with erupted volume. These variations reflect magmatic processes occurring in magma reservoirs prior to or possibly during eruption. For example, systematic variations in Mg# with along-axis distance in the early 90’s Aldo-Kihi (S. EPR near 17.5°S), 1996 N. Gorda, 1993 Co-Axial (Juan de Fuca Ridge), and 1991-2 and 2005-6 9°50’N EPR eruptions is unlikely to be related to fractionation during emplacement, and rather reflects variations in sub-axial magma reservoirs prior to eruption. Such variations are inconsistent with well-mixed sub-axial reservoirs and, in some cases, require relatively long-lived, systematic variations in reservoir temperatures along axis. Chemical heterogeneity within the Aldo-Kihi eruption preserves spatial variations in mantle-derived isotopic and trace element ratios with implications for the temporal and spatial scales of magma injections to the crust and along-axis mixing within shallow reservoirs. These spatial variations are difficult to reconcile with significant (> ~1 km) along-axis magma transport, as are striking correlations of chemical compositions with surface geological discontinuities or seismically imaged sub-axial magma chamber reflectors in the S. Hump (S. EPR), 9°50’N EPR, N. Gorda and 1975-1984 Krafla (N. Iceland) eruptive units. Rather, spatial correlations between surface lava compositions and sub-axial magma chamber properties or long-lived axial morphology suggest that most of the erupted magma was transported nearly vertically from the underlying reservoirs to the surface during these eruptions. In the case of the Krafla eruption, coincident deformation suggests a component of lateral melt migration at depth, despite chemical evidence for vertical transport of erupted lava from more than one chemical reservoir. In addition, along-ridge movement of earthquake

  3. [GC-MS analysis of volatile constituents from five different kinds of Chinese eaglewood].

    Science.gov (United States)

    Mei, Wen-Li; Zeng, Yan-Bo; Liu, Jun; Dai, Hao-Fu

    2007-05-01

    Volatile oils of five different kinds of Chinese eaglewood were extracted with aether at room temperature. The chemical constituents and relative contents of the volatile oils were analysed by GC-MS. It showed that all the five volatile oils were mainly composed of sesquiterpenes, aromatic constituents and fatty acids. Several sesquiterpenes, such as hinesol, nootkatone, valerenic acid, velleral, guaiol, gamma-gurjunene, gamma-selinene, viridiflorol, isoaromadendrene epoxide, valencene, alpha-costol et. al., together with several aromatic constituents, 2,4-di-tert-butylphenol,4-methyl-2,6-di-tert-butylphenol, phenylpropionic acid, 1-(benzyloxy)-8-naphthol, anisylacetone, et. al. were found in the volatile oils of Chinese eaglewood for the first time. The samilarities and differences of the volatile oils from the five kinds of Chinese eaglewood were compared. It suggested that the quality of Chinese eaglewood could be evaluated by GC-MS analyse of the volatile oil.

  4. Level Shifts in Volatility and the Implied-Realized Volatility Relation

    DEFF Research Database (Denmark)

    Christensen, Bent Jesper; de Magistris, Paolo Santucci

    We propose a simple model in which realized stock market return volatility and implied volatility backed out of option prices are subject to common level shifts corresponding to movements between bull and bear markets. The model is estimated using the Kalman filter in a generalization to the mult......We propose a simple model in which realized stock market return volatility and implied volatility backed out of option prices are subject to common level shifts corresponding to movements between bull and bear markets. The model is estimated using the Kalman filter in a generalization...... to the multivariate case of the univariate level shift technique by Lu and Perron (2008). An application to the S&P500 index and a simulation experiment show that the recently documented empirical properties of strong persistence in volatility and forecastability of future realized volatility from current implied...... volatility, which have been interpreted as long memory (or fractional integration) in volatility and fractional cointegration between implied and realized volatility, are accounted for by occasional common level shifts....

  5. Testing for Volatility Co-movement in Bivariate Stochastic Volatility Models

    NARCIS (Netherlands)

    J. Chen (Jinghui); M. Kobayashi (Masahito); M.J. McAleer (Michael)

    2017-01-01

    markdownabstractThe paper considers the problem of volatility co-movement, namely as to whether two financial returns have perfectly correlated common volatility process, in the framework of multivariate stochastic volatility models and proposes a test which checks the volatility co-movement. The

  6. Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling

    Science.gov (United States)

    Maiti, Amitesh

    Of the many nanoelectronic applications proposed for near to medium-term commercial deployment, sensors based on carbon nanotubes (CNT) and metal-oxide nanowires are receiving significant attention from researchers. Such devices typically operate on the basis of the changes of electrical response characteristics of the active component (CNT or nanowire) when subjected to an externally applied mechanical stress or the adsorption of a chemical or bio-molecule. Practical development of such technologies can greatly benefit from quantum chemical modeling based on density functional theory (DFT), and from electronic transport modeling based on non-equilibrium Green's function (NEGF). DFT can compute useful quantities like possible bond-rearrangements, binding energy, charge transfer, and changes to the electronic structure, while NEGF can predict changes in electronic transport behavior and contact resistance. Effects of surrounding medium and intrinsic structural defects can also be taken into account. In this work we review some recent DFT and transport investigations on (1) CNT-based nano-electromechanical sensors (NEMS) and (2) gas-sensing properties of CNTs and metal-oxide nanowires. We also briefly discuss our current understanding of CNT-metal contacts which, depending upon the metal, the deposition technique, and the masking method can have a significant effect on device performance.

  7. Arsenic volatilization in model anaerobic biogas digesters

    International Nuclear Information System (INIS)

    Mestrot, Adrien; Xie, Wan-Ying; Xue, Ximei; Zhu, Yong-Guan

    2013-01-01

    Highlights: • Arsenic is volatilized form all model anaerobic digesters, including the non-treated ones. • Volatile As species can be identified and quantified in all digesters. • Non-arsenic treated digesters volatilization rates are higher than Roxarsone treated ones. - Abstract: Arsenic is a class 1 non-threshold carcinogen which is highly ubiquitous. Arsenic undergoes many different transformations (biotic or abiotic) between and within environmental compartments, leading to a number of different chemical species possessing different properties and toxicities. One specific transformation is As biotic volatilization which is coupled with As biomethylation and has been scarcely studied due to inherent sampling issues. Arsenic methylation/volatilization is also linked with methanogenesis and occurs in anaerobic environments. In China, rice straw and animal manure are very often used to produce biogas and both can contain high amounts of As, especially if the rice is grown in areas with heavy mining or smelting industries and if Roxarsone is fed to the animals. Roxarsone is an As-containing drug which is widely used in China to control coccidian intestinal parasites, to improve feed efficiency and to promote rapid growth. Previous work has shown that this compound degrades to inorganic As under anaerobic conditions. In this study the focus is on biotic transformations of As in small microcosms designed as biogas digester models (BDMs) using recently validated As traps, thus, enabling direct quantification and identification of volatile As species. It is shown that although there was a loss of soluble As in the BDMs, their conditions favored biomethylation. All reactors produced volatile As, especially the monomethylarsonic acid spiked ones with 413 ± 148 ng As (mean ± SD, n = 3) which suggest that the first methylation step, from inorganic As, is a limiting factor. The most abundant species was trimethylarsine, but the toxic arsine was present in the

  8. Wavelet-based Adaptive Mesh Refinement Method for Global Atmospheric Chemical Transport Modeling

    Science.gov (United States)

    Rastigejev, Y.

    2011-12-01

    Numerical modeling of global atmospheric chemical transport presents enormous computational difficulties, associated with simulating a wide range of time and spatial scales. The described difficulties are exacerbated by the fact that hundreds of chemical species and thousands of chemical reactions typically are used for chemical kinetic mechanism description. These computational requirements very often forces researches to use relatively crude quasi-uniform numerical grids with inadequate spatial resolution that introduces significant numerical diffusion into the system. It was shown that this spurious diffusion significantly distorts the pollutant mixing and transport dynamics for typically used grid resolution. The described numerical difficulties have to be systematically addressed considering that the demand for fast, high-resolution chemical transport models will be exacerbated over the next decade by the need to interpret satellite observations of tropospheric ozone and related species. In this study we offer dynamically adaptive multilevel Wavelet-based Adaptive Mesh Refinement (WAMR) method for numerical modeling of atmospheric chemical evolution equations. The adaptive mesh refinement is performed by adding and removing finer levels of resolution in the locations of fine scale development and in the locations of smooth solution behavior accordingly. The algorithm is based on the mathematically well established wavelet theory. This allows us to provide error estimates of the solution that are used in conjunction with an appropriate threshold criteria to adapt the non-uniform grid. Other essential features of the numerical algorithm include: an efficient wavelet spatial discretization that allows to minimize the number of degrees of freedom for a prescribed accuracy, a fast algorithm for computing wavelet amplitudes, and efficient and accurate derivative approximations on an irregular grid. The method has been tested for a variety of benchmark problems

  9. Transport and Reactivity of Decontaminants to Provide Hazard Mitigation of Chemical Warfare Agents from Materials

    Science.gov (United States)

    2016-06-01

    2013 4. TITLE AND SUBTITLE Transport and Reactivity of Decontaminants to Provide Hazard Mitigation of Chemical Warfare Agents from Materials 5a...directions for future decontamination formulation approaches. 15. SUBJECT TERMS GD HD Decontamination Hazard mitigation VX Chemical warfare agent... DECONTAMINANTS TO PROVIDE HAZARD MITIGATION OF CHEMICAL WARFARE AGENTS FROM MATERIALS 1. INTRODUCTION Decontamination of materials is the

  10. Phytochemical screening and chemical variability in volatile oils of aerial parts of Morinda morindoides.

    Science.gov (United States)

    Kiazolu, J Boima; Intisar, Azeem; Zhang, Lingyi; Wang, Yun; Zhang, Runsheng; Wu, Zhongping; Zhang, Weibing

    2016-10-01

    Morinda morindoides is an important Liberian traditional medicine for the treatment of malaria, fever, worms etc. The plant was subjected to integrated approaches including phytochemical screening and gas chromatography mass spectrometry (GC-MS) analyses. Phytochemical investigation of the powdered plant revealed the presence of phenolics, tannins, flavonoids, saponins, terpenes, steroidal compounds and volatile oil. Steam distillation followed by GC-MS resulted in the identification of 47 volatiles in its aerial parts: 28 were in common including various bioactive volatiles. Major constituents of leaves were phytol (43.63%), palmitic acid (8.55%) and geranyl linalool (6.95%) and stem were palmitic acid (14.95%), eicosane (9.67%) and phytol (9.31%), and hence, a significant difference in the percentage composition of aerial parts was observed. To study seasonal changes, similarity analysis was carried out by calculating correlation coefficient (r) and vector angle cosine (z) that were more than 0.91 for stem-to-stem and leaf-to-leaf batches indicating considerable consistency.

  11. Chemical factors affecting fission product transport in severe LMFBR accidents

    International Nuclear Information System (INIS)

    Wichner, R.P.; Jolley, R.L.; Gat, U.; Rodgers, B.R.

    1984-10-01

    This study was performed as a part of a larger evaluation effort on LMFBR accident, source-term estimation. Purpose was to provide basic chemical information regarding fission product, sodium coolant, and structural material interactions required to perform estimation of fission product transport under LMFBR accident conditions. Emphasis was placed on conditions within the reactor vessel; containment vessel conditions are discussed only briefly

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

    Science.gov (United States)

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

    2016-08-01

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

  13. Controlled release of volatiles under mild reaction conditions: from nature to everyday products.

    Science.gov (United States)

    Herrmann, Andreas

    2007-01-01

    Volatile organic compounds serve in nature as semiochemicals for communication between species, and are often used as flavors and fragrances in our everyday life. The quite limited longevity of olfactive perception has led to the development of pro-perfumes or pro-fragrances--ideally nonvolatile and odorless fragrance precursors which release the active volatiles by bond cleavage. Only a limited amount of reaction conditions, such as hydrolysis, temperature changes, as well as the action of light, oxygen, enzymes, or microorganisms, can be used to liberate the many different chemical functionalities. This Review describes the controlled chemical release of fragrances and discusses additional challenges such as precursor stability during product storage as well as some aspects concerning toxicity and biodegradability. As the same systems can be applied in different areas of research, the scope of this Review covers fragrance delivery as well as the controlled release of volatiles in general.

  14. Transport of Chemical Vapors from Subsurface Sources to Atmosphere as Affected by Shallow Subsurface and Atmospheric Conditions

    Science.gov (United States)

    Rice, A. K.; Smits, K. M.; Hosken, K.; Schulte, P.; Illangasekare, T. H.

    2012-12-01

    Understanding the movement and modeling of chemical vapor through unsaturated soil in the shallow subsurface when subjected to natural atmospheric thermal and mass flux boundary conditions at the land surface is of importance to applications such as landmine detection and vapor intrusion into subsurface structures. New, advanced technologies exist to sense chemical signatures at the land/atmosphere interface, but interpretation of these sensor signals to make assessment of source conditions remains a challenge. Chemical signatures are subject to numerous interactions while migrating through the unsaturated soil environment, attenuating signal strength and masking contaminant source conditions. The dominant process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal or no quantification of other processes contributing to vapor migration, such as thermal diffusion, convective gas flow due to the displacement of air, expansion/contraction of air due to temperature changes, temporal and spatial variations of soil moisture and fluctuations in atmospheric pressure. Soil water evaporation and interfacial mass transfer add to the complexity of the system. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmosphere interface and use the resulting dataset to test existing theories on subsurface gas flow and iterate between numerical modeling efforts and experimental data. Ultimately, we aim to update conceptual models of shallow subsurface vapor transport to include conditionally significant transport processes and inform placement of mobile sensors and/or networks. We have developed a two-dimensional tank apparatus equipped with a network of sensors and a flow-through head space for simulation of the atmospheric interface. A detailed matrix of realistic atmospheric boundary conditions was applied in a series of

  15. Characterization of volatile constituents in commercial oak wood chips.

    Science.gov (United States)

    Fernández de Simón, Brígida; Muiño, Iria; Cadahía, Estrella

    2010-09-08

    The volatile composition of the different oak wood pieces (chips of Quercus spp.) that can be found on the market to be used as alternatives to barrels for aging wines, as well as of chips of Quercus pyrenaica which are being introduced, was studied, evaluating the contents of volatile phenols, lactones, furanic compounds, pyranones, phenolic aldehydes, phenolic ketones, and others. In regard to the overall results, the volatile composition of these products varies widely and has not been clearly laid out according to either the oak species or the wood toasting intensity. Taking into account that the different characteristics of alternatives to barrel products are reflected in the wine treated with them and that an oenological profile based on these variables (origin and toasting level) cannot be defined, only an appropriate chemical analysis would reveal the quality of alternative-to-barrel products and allow us to attempt to foresee its effects on the chemical and organoleptic characteristics of the wines treated with them. On the other hand, the Q. pyrenaica alternative products are very similar to those of other species, with some aromatic particularities, such as their high levels of furanic compounds, eugenol, Furaneol, and cis-whiskylactone, and low levels of vanillin.

  16. Composition of the volatile fraction of a sample of Brazilian green propolic and its phytotoxic activity.

    Science.gov (United States)

    Fernandes-Silva, Caroline C; Lima, Carolina A; Negri, Giuseppina; Salatino, Maria L F; Salatino, Antonio; Mayworm, Marco A S

    2015-12-01

    Propolis is a resinous material produced by honeybees, containing mainly beeswax and plant material. Despite the wide spectrum of biological activity of propolis, to our knowledge no studies have been carried out about phytotoxic properties of Brazilian propolis and its constituents. The aims of this study were to analyze the chemical composition and to evaluate the phytotoxic activity of the volatile fraction of a sample of Brazilian green propolis. Main constituents are the phenylpropanoid 3-prenylcinnamic acid allyl ester (26.3%) and the sesquiterpene spathulenol (23.4%). Several other sesquiterpenes and phenylpropanoids, in addition to linalool and α-terpineol (monoterpenes), were also detected. The activity of solutions of the volatile fraction at 1.0, 0.5 and 0.1% was tested on lettuce seeds and seedlings. The solution at 1% inhibited completely the seed germination and solutions at 0.1 and 0.5% reduced the germination rate index. The solution at 0.5% reduced the growth of the hypocotyl-radicle axis and the development of the cotyledon leaf. The chemical composition of the volatile fraction of this Brazilian green propolis is different from those previously described, and these results may contribute to a better understanding about the chemical variations in propolis. The volatile fraction of Brazilian green propolis influences both germination of seed lettuce and the growth of its seedlings, showing an phytotoxic potential. © 2014 Society of Chemical Industry.

  17. Influence of Polish Climate Conditions on Content and the Chemical Variation of Volatiles in the Roots of Six Eleutherococcus Species and Their Potential Use

    Directory of Open Access Journals (Sweden)

    Daniel Załuski

    2016-03-01

    Full Text Available The aim of this study was the term of the climate influence on essential oil and aroma components of six Eleutherococcus species [E. senticosus (Rupr. & Maxim. Maxim., E. setchuensis (Harms Nakai, E. sessiliflorus (Rupr. & Maxim. S. Y. Hu, E. gracilistylus (W. W. Smith S. Y. Hu, E. henryi Oliv., E. divaricatus (Siebold & Zucc. S. Y. Hu ] cultivated in Poland. The hydrodistilled volatiles of the samples were ranged from 0.2% to 0.4%. The components of the determined volatiles were analyzed by GC/MS/MS. Thirty of the same compounds were present in all samples. Major components of the samples were (E,E-farnesol (43.6-6.9%, (E,Z-farnesol (7.2-0.7%, (Z,E-farnesol (1.4-0.1%, tetradecanoic acid (9.91-2.08%, and pentadecanoic acid (12.8-3.5%. Highest (E,E-farnesol content (43.6% was determined in the roots of E. divaricatus. This compound may be considered as chemical marker of the species. This is the first time, when the analysis of volatiles in the roots of Eleutherococcus spp. cultivated in Poland was performed. This study provides a platform for further investigation for the isolation and pharmacological activity of active principles.

  18. Evaluate transport processes in MERRA driven chemical transport models using updated 222Rn emission inventories and global observations

    Science.gov (United States)

    Zhang, B.; Liu, H.; Crawford, J. H.; Fairlie, T. D.; Chen, G.; Chambers, S. D.; Kang, C. H.; Williams, A. G.; Zhang, K.; Considine, D. B.; Payer Sulprizio, M.; Yantosca, R.

    2015-12-01

    Convective and synoptic processes play a major role in determining the transport and distribution of trace gases and aerosols in the troposphere. The representation of these processes in global models (at ~100-1000 km horizontal resolution) is challenging, because convection is a sub-grid process and needs to be parameterized, while synoptic processes are close to the grid scale. Depending on the parameterization schemes used in climate models, the role of convection in transporting trace gases and aerosols may vary from model to model. 222Rn is a chemically inert and radioactive gas constantly emitted from soil and has a half-life (3.8 days) comparable to synoptic timescale, which makes it an effective tracer for convective and synoptic transport. In this study, we evaluate the convective and synoptic transport in two chemical transport models (GMI and GEOS-Chem), both driven by the NASA's MERRA reanalysis. Considering the uncertainties in 222Rn emissions, we incorporate two more recent scenarios with regionally varying 222Rn emissions into GEOS-Chem/MERRA and compare the simulation results with those using the relatively uniform 222Rn emissions in the standard model. We evaluate the global distribution and seasonality of 222Rn concentrations simulated by the two models against an extended collection of 222Rn observations from 1970s to 2010s. The intercomparison will improve our understanding of the spatial variability in global 222Rn emissions, including the suspected excessive 222Rn emissions in East Asia, and provide useful feedbacks on 222Rn emission models. We will assess 222Rn vertical distributions at different latitudes in the models using observations at surface sites and in the upper troposphere and lower stratosphere. Results will be compared with previous models driven by other meteorological fields (e.g., fvGCM and GEOS4). Since the decay of 222Rn is the source of 210Pb, a useful radionuclide tracer attached to submicron aerosols, improved

  19. Graphene Chemical Sensor

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop graphene based miniaturized chemical sensors that will be able to detect gaseous and volatile molecules with high sensitivity, good reproducibility and wide...

  20. Variations in amounts and potential sources of volatile organic chemicals in new cars

    International Nuclear Information System (INIS)

    Chien, Y.-C.

    2007-01-01

    This study examines inter-brand, intra-brand and intra-model variations in volatile organic chemical (VOC) levels inside new cars. The effect of temperature on interior VOC levels was examined using model automobiles with and without the air-conditioning running. Potential sources of VOC were assessed by comparing VOC levels with two interior trims (leather and fabric) and by analyzing VOC emissions from various interior components. Five brands of new car, both domestic and imported, were tested. Twelve targeted VOCs were collected on solid sorbents and analyzed using thermal desorption and GC/FID. VOCs from interior parts and adhesives were identified using solid phase micro-extraction (SPME) coupled with GC/MS. The VOC concentrations varied markedly among brands and within models, and individual VOC levels ranged from below the detection limit (a few μg per cubic meter) to thousands of μg per cubic meter. The intra-model variability (mean, 47%) in the VOC levels was approximately 50% that within each brand (mean, 95%). Although interior trim levels affected VOC levels, the effects differed among brands. Reduction of the cabin temperature reduced most VOC levels, but the impact was not statistically significant. Screening tests for VOCs from interior parts revealed that butylated hydroxytoluene (BHT), a common anti-oxidant, was the most common chemical. Long-chain aliphatic hydrocarbons, particularly C14-C17, were identified in most grease (lubricant) samples, and toluene and xylenes were ubiquitously present in adhesive samples. Process-related compounds, such as plasticizer, were also identified in interior parts. In-cabin VOC levels varied significantly among makes/models and interior trims. Concerned consumers should purchase older new cars from manufacturers since VOC levels inside car cabins normally declines over time. Improved processes or materials with lower VOC emission potential should be used to minimize in-cabin VOC sources for new cars

  1. A Non-Targeted Approach Unravels the Volatile Network in Peach Fruit

    Science.gov (United States)

    Sánchez, Gerardo; Besada, Cristina; Badenes, María Luisa; Monforte, Antonio José; Granell, Antonio

    2012-01-01

    Volatile compounds represent an important part of the plant metabolome and are of particular agronomic and biological interest due to their contribution to fruit aroma and flavor and therefore to fruit quality. By using a non-targeted approach based on HS-SPME-GC-MS, the volatile-compound complement of peach fruit was described. A total of 110 volatile compounds (including alcohols, ketones, aldehydes, esters, lactones, carboxylic acids, phenolics and terpenoids) were identified and quantified in peach fruit samples from different genetic backgrounds, locations, maturity stages and physiological responses. By using a combination of hierarchical cluster analysis and metabolomic correlation network analysis we found that previously known peach fruit volatiles are clustered according to their chemical nature or known biosynthetic pathways. Moreover, novel volatiles that had not yet been described in peach were identified and assigned to co-regulated groups. In addition, our analyses showed that most of the co-regulated groups showed good intergroup correlations that are therefore consistent with the existence of a higher level of regulation orchestrating volatile production under different conditions and/or developmental stages. In addition, this volatile network of interactions provides the ground information for future biochemical studies as well as a useful route map for breeding or biotechnological purposes. PMID:22761719

  2. Verification of T2VOC using an analytical solution for VOC transport in vadose zone

    Energy Technology Data Exchange (ETDEWEB)

    Shan, C. [Lawrence Berkeley Laboratory, Berkeley, CA (United States)

    1995-03-01

    T2VOC represents an adaption of the STMVOC to the TOUGH2 environment. In may contaminated sites, transport of volatile organic chemicals (VOC) is a serious problem which can be simulated by T2VOC. To demonstrate the accuracy and robustness of the code, we chose a practical problem of VOC transport as the test case, conducted T2VOC simulations, and compared the results of T2VOC with those of an analytical solution. The agreements between T2VOC and the analytical solutions are excellent. In addition, the numerical results of T2VOC are less sensitive to grid size and time step to a certain extent.

  3. Cellular automaton model of coupled mass transport and chemical reactions

    International Nuclear Information System (INIS)

    Karapiperis, T.

    1994-01-01

    Mass transport, coupled with chemical reactions, is modelled as a cellular automaton in which solute molecules perform a random walk on a lattice and react according to a local probabilistic rule. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. The model is applied to the reactions a + b ↔c and a + b →c, where we observe interesting macroscopic effects resulting from microscopic fluctuations and spatial correlations between molecules. We also simulate autocatalytic reaction schemes displaying spontaneous formation of spatial concentration patterns. Finally, we propose and discuss the limitations of a simple model for mineral-solute interaction. (author) 5 figs., 20 refs

  4. Contribution of volatiles to the antifungal effect of Lactobacillus paracasei in defined medium and yogurt

    DEFF Research Database (Denmark)

    Aunsbjerg, Stina Dissing; Honoré, Anders Hans; Marcussen, J.

    2015-01-01

    produced by L. paracasei DGCC 2132 in CDIM. When the strain was added to a yogurt medium diacetyl as well as other volatiles also increased but the metabolome was more complex. Removal of L. paracasei DGCC 2132 cells from CDIM fermentate resulted in loss of both volatiles, including diacetyl......Lactic acid bacteria with antifungal properties can be used to control spoilage of food and feed. Previously, most of the identified metabolites have been isolated from cell-free fermentate of lactic acid bacteria with methods suboptimal for detecting possible contribution from volatiles...... to the antifungal activity. The role of volatile compounds in the antifungal activity of Lactobacillus paracasei DGCC 2132 in a chemically defined interaction medium (CDIM) and yogurt was therefore investigated with a sampling technique minimizing volatile loss. Diacetyl was identified as the major volatile...

  5. Water stress and ripeness effects on the volatile composition of Cabernet Sauvignon wines.

    Science.gov (United States)

    Talaverano, Inmaculada; Ubeda, Cristina; Cáceres-Mella, Alejandro; Valdés, María Esperanza; Pastenes, Claudio; Peña-Neira, Álvaro

    2018-02-01

    Controlled water deficits affect grape berry physiology and the resulting wines, with volatile composition being the one of the affected parameters. However, there is a potential disconnect between aromatic maturity and sugar accumulation. Accordingly, the effects of three different water status levels over two growing seasons (2014 and 2015) and two different harvest dates on the aroma compounds from Cabernet Sauvignon wines were studied. Volatile compounds were determined using headspace solid phase microextraction coupled with gas chromatoghraphy/mass spectrometry. Around 45 volatile compounds were determined in the wines and, among these, esters were affected the most, presenting lower concentrations when the most restrictive water treatment was applied in both years. By contrast, volatile acids presented the highest concentrations when the lowest level of irrigation was applied. On the other hand, a delay in harvesting produced an increase in the total amount of volatile compounds in samples from the most restrictive water treatment. These results are coincident with a principal component analysis that indicated a great separation between years, deficit irrigation treatments and harvest dates. The results of the present study suggest that a low water supply had a negative effect on the aromatic potential of wines at a similar ripening stage. However, this effect could be countered by harvesting at a later date. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  6. Production of chemicals and fuels from biomass

    Energy Technology Data Exchange (ETDEWEB)

    Woods, Elizabeth; Qiao, Ming; Myren, Paul; Cortright, Randy D.; Kania, John

    2015-12-15

    Described are methods, reactor systems, and catalysts for converting biomass to fuels and chemicals in a batch and/or continuous process. The process generally involves the conversion of water insoluble components of biomass, such as hemicellulose, cellulose and lignin, to volatile C.sub.2+O.sub.1-2 oxygenates, such as alcohols, ketones, cyclic ethers, esters, carboxylic acids, aldehydes, and mixtures thereof. In certain applications, the volatile C.sub.2+O.sub.1-2 oxygenates can be collected and used as a final chemical product, or used in downstream processes to produce liquid fuels, chemicals and other products.

  7. Formation of organic aerosol in the Paris region during the MEGAPOLI summer campaign: evaluation of the volatility-basis-set approach within the CHIMERE model

    Directory of Open Access Journals (Sweden)

    Q. J. Zhang

    2013-06-01

    Full Text Available Simulations with the chemistry transport model CHIMERE are compared to measurements performed during the MEGAPOLI (Megacities: Emissions, urban, regional and Global Atmospheric POLlution and climate effects, and Integrated tools for assessment and mitigation summer campaign in the Greater Paris region in July 2009. The volatility-basis-set approach (VBS is implemented into this model, taking into account the volatility of primary organic aerosol (POA and the chemical aging of semi-volatile organic species. Organic aerosol is the main focus and is simulated with three different configurations with a modified treatment of POA volatility and modified secondary organic aerosol (SOA formation schemes. In addition, two types of emission inventories are used as model input in order to test the uncertainty related to the emissions. Predictions of basic meteorological parameters and primary and secondary pollutant concentrations are evaluated, and four pollution regimes are defined according to the air mass origin. Primary pollutants are generally overestimated, while ozone is consistent with observations. Sulfate is generally overestimated, while ammonium and nitrate levels are well simulated with the refined emission data set. As expected, the simulation with non-volatile POA and a single-step SOA formation mechanism largely overestimates POA and underestimates SOA. Simulation of organic aerosol with the VBS approach taking into account the aging of semi-volatile organic compounds (SVOC shows the best correlation with measurements. High-concentration events observed mostly after long-range transport are well reproduced by the model. Depending on the emission inventory used, simulated POA levels are either reasonable or underestimated, while SOA levels tend to be overestimated. Several uncertainties related to the VBS scheme (POA volatility, SOA yields, the aging parameterization, to emission input data, and to simulated OH levels can be responsible for

  8. A volatile organics concentrator for use in monitoring Space Station water quality

    Science.gov (United States)

    Ehntholt, Daniel J.; Bodek, Itamar; Valentine, James R.; Trabanino, Rudy; Vincze, Johanna E.; Sauer, Richard L.

    1990-01-01

    The process used to identify, select, and design an approach to the isolation and concentration of volatile organic compounds from a water sample prior to chemical analysis in a microgravity environment is discerned. The trade analysis leading to the recommended volatile organics concentrator (VOC) concept to be tested in a breadboard device is presented. The system covers the areas of gases, volatile separation from water, and water removal/gas chromatograph/mass spectrometer interface. Five options for potential use in the VOC and GC/MS system are identified and ranked, and also nine options are presented for separation of volatiles from the water phase. Seven options for use in the water removal/GC column and MS interface are also identified and included in the overall considerations. A final overall recommendation for breadboard VOC testing is given.

  9. Value chain management for commodities: a case study from the chemical industry

    NARCIS (Netherlands)

    Kannegiesser, M.; Günther, H.O.; Beek, van P.; Grunow, M.; Habla, C.

    2009-01-01

    We present a planning model for chemical commodities related to an industry case. Commodities are standard chemicals characterized by sales and supply volatility in volume and value. Increasing and volatile prices of crude oil-dependent raw materials require coordination of sales and supply

  10. The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media

    NARCIS (Netherlands)

    Veldsink, J.W.; Veldsink, J.W.; van Damme, Rudolf M.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1995-01-01

    In the present study, mass transport accompanied by chemical reactions in porous media is studied according to the Fick model and the dusty-gas model. For mass transport accompanied by a chemical reaction in catalyst structures showing a plane, line, or point of symmetry, the approximate analytical

  11. Nonequilibrium thermodynamics transport and rate processes in physical, chemical and biological systems

    CERN Document Server

    Demirel, Yasar

    2014-01-01

    Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte

  12. Modeling the transport of chemical warfare agents and simulants in polymeric substrates for reactive decontamination

    Science.gov (United States)

    Pearl, Thomas; Mantooth, Brent; Varady, Mark; Willis, Matthew

    2014-03-01

    Chemical warfare agent simulants are often used for environmental testing in place of highly toxic agents. This work sets the foundation for modeling decontamination of absorbing polymeric materials with the focus on determining relationships between agents and simulants. The correlations of agents to simulants must consider the three way interactions in the chemical-material-decontaminant system where transport and reaction occur in polymer materials. To this end, diffusion modeling of the subsurface transport of simulants and live chemical warfare agents was conducted for various polymer systems (e.g., paint coatings) with and without reaction pathways with applied decontamination. The models utilized 1D and 2D finite difference diffusion and reaction models to simulate absorption and reaction in the polymers, and subsequent flux of the chemicals out of the polymers. Experimental data including vapor flux measurements and dynamic contact angle measurements were used to determine model input parameters. Through modeling, an understanding of the relationship of simulant to live chemical warfare agent was established, focusing on vapor emission of agents and simulants from materials.

  13. Accounting for chemical kinetics in field scale transport calculations

    International Nuclear Information System (INIS)

    Bryan, N.D.

    2005-01-01

    The modelling of column experiments has shown that the humic acid mediated transport of metal ions is dominated by the non-exchangeable fraction. Metal ions enter this fraction via the exchangeable fraction, and may transfer back again. However, in both directions these chemical reactions are slow. Whether or not a kinetic description of these processes is required during transport calculations, or an assumption of local equilibrium will suffice, will depend upon the ratio of the reaction half-time to the residence time of species within the groundwater column. If the flow rate is sufficiently slow or the reaction sufficiently fast then the assumption of local equilibrium is acceptable. Alternatively, if the reaction is sufficiently slow (or the flow rate fast), then the reaction may be 'decoupled', i.e. removed from the calculation. These distinctions are important, because calculations involving chemical kinetics are computationally very expensive, and should be avoided wherever possible. In addition, column experiments have shown that the sorption of humic substances and metal-humate complexes may be significant, and that these reactions may also be slow. In this work, a set of rules is presented that dictate when the local equilibrium and decoupled assumptions may be used. In addition, it is shown that in all cases to a first approximation, the behaviour of a kinetically controlled species, and in particular its final distribution against distance at the end of a calculation, depends only upon the ratio of the reaction first order rate to the residence time, and hence, even in the region where the simplifications may not be used, the behaviour is predictable. In this way, it is possible to obtain an estimate of the migration of these species, without the need for a complex transport calculation. (orig.)

  14. Range-based volatility, expected stock returns, and the low volatility anomaly

    Science.gov (United States)

    2017-01-01

    One of the foundations of financial economics is the idea that rational investors will discount stocks with more risk (volatility), which will result in a positive relation between risk and future returns. However, the empirical evidence is mixed when determining how volatility is related to future returns. In this paper, we examine this relation using a range-based measure of volatility, which is shown to be theoretically, numerically, and empirically superior to other measures of volatility. In a variety of tests, we find that range-based volatility is negatively associated with expected stock returns. These results are robust to time-series multifactor models as well as cross-sectional tests. Our findings contribute to the debate about the direction of the relationship between risk and return and confirm the presence of the low volatility anomaly, or the anomalous finding that low volatility stocks outperform high volatility stocks. In other tests, we find that the lower returns associated with range-based volatility are driven by stocks with lottery-like characteristics. PMID:29190652

  15. Range-based volatility, expected stock returns, and the low volatility anomaly.

    Science.gov (United States)

    Blau, Benjamin M; Whitby, Ryan J

    2017-01-01

    One of the foundations of financial economics is the idea that rational investors will discount stocks with more risk (volatility), which will result in a positive relation between risk and future returns. However, the empirical evidence is mixed when determining how volatility is related to future returns. In this paper, we examine this relation using a range-based measure of volatility, which is shown to be theoretically, numerically, and empirically superior to other measures of volatility. In a variety of tests, we find that range-based volatility is negatively associated with expected stock returns. These results are robust to time-series multifactor models as well as cross-sectional tests. Our findings contribute to the debate about the direction of the relationship between risk and return and confirm the presence of the low volatility anomaly, or the anomalous finding that low volatility stocks outperform high volatility stocks. In other tests, we find that the lower returns associated with range-based volatility are driven by stocks with lottery-like characteristics.

  16. Range-based volatility, expected stock returns, and the low volatility anomaly.

    Directory of Open Access Journals (Sweden)

    Benjamin M Blau

    Full Text Available One of the foundations of financial economics is the idea that rational investors will discount stocks with more risk (volatility, which will result in a positive relation between risk and future returns. However, the empirical evidence is mixed when determining how volatility is related to future returns. In this paper, we examine this relation using a range-based measure of volatility, which is shown to be theoretically, numerically, and empirically superior to other measures of volatility. In a variety of tests, we find that range-based volatility is negatively associated with expected stock returns. These results are robust to time-series multifactor models as well as cross-sectional tests. Our findings contribute to the debate about the direction of the relationship between risk and return and confirm the presence of the low volatility anomaly, or the anomalous finding that low volatility stocks outperform high volatility stocks. In other tests, we find that the lower returns associated with range-based volatility are driven by stocks with lottery-like characteristics.

  17. An Indirect Defence Trait Mediated through Egg-Induced Maize Volatiles from Neighbouring Plants.

    Directory of Open Access Journals (Sweden)

    Daniel M Mutyambai

    Full Text Available Attack of plants by herbivorous arthropods may result in considerable changes to the plant's chemical phenotype with respect to emission of herbivore-induced plant volatiles (HIPVs. These HIPVs have been shown to act as repellents to the attacking insects as well as attractants for the insects antagonistic to these herbivores. Plants can also respond to HIPV signals from other plants that warn them of impending attack. Recent investigations have shown that certain maize varieties are able to emit volatiles following stemborer egg deposition. These volatiles attract the herbivore's parasitoids and directly deter further oviposition. However, it was not known whether these oviposition-induced maize (Zea mays, L. volatiles can mediate chemical phenotypic changes in neighbouring unattacked maize plants. Therefore, this study sought to investigate the effect of oviposition-induced maize volatiles on intact neighbouring maize plants in 'Nyamula', a landrace known to respond to oviposition, and a standard commercial hybrid, HB515, that did not. Headspace volatile samples were collected from maize plants exposed to Chilo partellus (Swinhoe (Lepidoptera: Crambidae egg deposition and unoviposited neighbouring plants as well as from control plants kept away from the volatile emitting ones. Behavioural bioassays were carried out in a four-arm olfactometer using egg (Trichogramma bournieri Pintureau & Babault (Hymenoptera: Trichogrammatidae and larval (Cotesia sesamiae Cameron (Hymenoptera: Braconidae parasitoids. Coupled Gas Chromatography-Mass Spectrometry (GC-MS was used for volatile analysis. For the 'Nyamula' landrace, GC-MS analysis revealed HIPV production not only in the oviposited plants but also in neighbouring plants not exposed to insect eggs. Higher amounts of EAG-active biogenic volatiles such as (E-4,8-dimethyl-1,3,7-nonatriene were emitted from these plants compared to control plants. Subsequent behavioural assays with female T. bournieri and

  18. Multidimensional analysis of cannabis volatile constituents: identification of 5,5-dimethyl-1-vinylbicyclo[2.1.1]hexane as a volatile marker of hashish, the resin of Cannabis sativa L.

    Science.gov (United States)

    Marchini, Marie; Charvoz, Céline; Dujourdy, Laurence; Baldovini, Nicolas; Filippi, Jean-Jacques

    2014-11-28

    The volatile constituents of drug samples derived from Cannabis sativa L. were investigated by means of headspace solid phase microextraction (HS-SPME) and gas chromatography techniques (GC-MS, GC×GC-MS). Samples of cannabis herb and hashish showed clear differences in their volatile chemical profiles, mostly resulting from photo-oxidation processes occurring during the transformation of fresh cannabis herb into hashish. Most unexpectedly, we could demonstrate hashish samples as containing remarkable amounts of a rare and unusual monoterpene - 5,5-dimethyl-1-vinylbicyclo[2.1.1]hexane - among the volatile compounds detected in their headspaces. We gave evidence for the formation of this compound from the light induced rearrangement of β-myrcene during the manufacture of hashish. In view of its high abundance among volatile constituents of cannabis resin and its scarce occurrence in other natural volatile extracts, we propose to rename this specific monoterpene hashishene. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Chemical Vapor Transport Deposition of Molybdenum Disulfide Layers Using H2O Vapor as the Transport Agent

    Directory of Open Access Journals (Sweden)

    Shichao Zhao

    2018-02-01

    Full Text Available Molybdenum disulfide (MoS2 layers show excellent optical and electrical properties and have many potential applications. However, the growth of high-quality MoS2 layers is a major bottleneck in the development of MoS2-based devices. In this paper, we report a chemical vapor transport deposition method to investigate the growth behavior of monolayer/multi-layer MoS2 using water (H2O as the transport agent. It was shown that the introduction of H2O vapor promoted the growth of MoS2 by increasing the nucleation density and continuous monolayer growth. Moreover, the growth mechanism is discussed.

  20. Pricing Volatility Referenced Assets

    Directory of Open Access Journals (Sweden)

    Alan De Genaro Dario

    2006-12-01

    Full Text Available Volatility swaps are contingent claims on future realized volatility. Variance swaps are similar instruments on future realized variance, the square of future realized volatility. Unlike a plain vanilla option, whose volatility exposure is contaminated by its asset price dependence, volatility and variance swaps provide a pure exposure to volatility alone. This article discusses the risk-neutral valuation of volatility and variance swaps based on the framework outlined in the Heston (1993 stochastic volatility model. Additionally, the Heston (1993 model is calibrated for foreign currency options traded at BMF and its parameters are used to price swaps on volatility and variance of the BRL / USD exchange rate.

  1. Chemical Composition and Biological Activity of Volatile Extracts from Leaves and Fruits of Schinusterebinthifolius Raddi from Tunisia

    Directory of Open Access Journals (Sweden)

    Alessandra Piras

    2017-01-01

    Full Text Available Volatile oils composition from leaves and ripe fruits of pink pepper (Schinus terebinthifolius Raddi growing in Tunisia were investigated using GC-FID and GC-MS techniques. Volatile oil extraction was achieved by hydrodistillation (HD using a Clevenger apparatus and by supercritical fluid extraction (SFE using carbon dioxide. All plant organs, gave SFE extracts chiefly composed by a -pinene, a -phellandrene, b -phellandrene, germacrene D and bicyclogermacrene. In the case of the fruits, both extraction techniques gave volatile oils of similar composition; whereas the comparison between the HD and SFE leave oils revealed important differences in the content of a -pinene (6.1 % vs traces, a -phellandrene (22.7 % vs 0.8 % and b -phellandrene (14.6 % vs 1.2 %. All volatile samples were evaluated against yeasts and dermatophyte strains, being more active against Cryptococcus neoformans, particularly the volatile oil from the fruits, with MIC values of (0.32-0.64 mg/mL.Moreover, this oil revealed an inhibitory effect on germ tube formation in C. albicans at sub-inhibitory concentration. At the concentration of MIC/8 the inhibition of filamentation was more than 70 %.

  2. Metal-Organic Framework Modified Glass Substrate for Analysis of Highly Volatile Chemical Warfare Agents by Paper Spray Mass Spectrometry.

    Science.gov (United States)

    Dhummakupt, Elizabeth S; Carmany, Daniel O; Mach, Phillip M; Tovar, Trenton M; Ploskonka, Ann M; Demond, Paul S; DeCoste, Jared B; Glaros, Trevor

    2018-03-07

    Paper spray mass spectrometry has been shown to successfully analyze chemical warfare agent (CWA) simulants. However, due to the volatility differences between the simulants and real G-series (i.e., sarin, soman) CWAs, analysis from an untreated paper substrate proved difficult. To extend the analytical lifetime of these G-agents, metal-organic frameworks (MOFs) were successfully integrated onto the paper spray substrates to increase adsorption and desorption. In this study, several MOFs and nanoparticles were tested to extend the analytical lifetimes of sarin, soman, and cyclosarin on paper spray substrates. It was found that the addition of either UiO-66 or HKUST-1 to the paper substrate increased the analytical lifetime of the G-agents from less than 5 min detectability to at least 50 min.

  3. An assessment of the effects of wine volatiles on the perception of taste and astringency in wine

    OpenAIRE

    Sáenz-Navajas, María-Pilar; Campo, Eva; Fernández-Zurbano, Purificación; Valentin, Dominique

    2010-01-01

    The objective of this work is measuring the effect of different volatile extract compositions on the perception of taste, astringency, global intensity and persistence of wine. Six Spanish wines, two from Chardonnay and four from Tempranillo grapes, all of them showing different chemical and sensory characteristics, were selected. Wines were separated into volatile and non-volatile fractions by solid phase extraction and lyophilisation and further liquid extraction, respectively. Eighteen "re...

  4. Implications for metal and volatile cycles from the pH of subduction zone fluids

    Science.gov (United States)

    Galvez, Matthieu E.; Connolly, James A. D.; Manning, Craig E.

    2016-11-01

    The chemistry of aqueous fluids controls the transport and exchange—the cycles—of metals and volatile elements on Earth. Subduction zones, where oceanic plates sink into the Earth’s interior, are the most important geodynamic setting for this fluid-mediated chemical exchange. Characterizing the ionic speciation and pH of fluids equilibrated with rocks at subduction zone conditions has long been a major challenge in Earth science. Here we report thermodynamic predictions of fluid-rock equilibria that tie together models of the thermal structure, mineralogy and fluid speciation of subduction zones. We find that the pH of fluids in subducted crustal lithologies is confined to a mildly alkaline range, modulated by rock volatile and chlorine contents. Cold subduction typical of the Phanerozoic eon favours the preservation of oxidized carbon in subducting slabs. In contrast, the pH of mantle wedge fluids is very sensitive to minor variations in rock composition. These variations may be caused by intramantle differentiation, or by infiltration of fluids enriched in alkali components extracted from the subducted crust. The sensitivity of pH to soluble elements in low abundance in the host rocks, such as carbon, alkali metals and halogens, illustrates a feedback between the chemistry of the Earth’s atmosphere-ocean system and the speciation of subduction zone fluids via the composition of the seawater-altered oceanic lithosphere. Our findings provide a perspective on the controlling reactions that have coupled metal and volatile cycles in subduction zones for more than 3 billion years7.

  5. Volatile and non-volatile/semi-volatile compounds and in vitro bioactive properties of Chilean Ulmo (Eucryphia cordifolia Cav.) honey.

    Science.gov (United States)

    Acevedo, Francisca; Torres, Paulina; Oomah, B Dave; de Alencar, Severino Matias; Massarioli, Adna Prado; Martín-Venegas, Raquel; Albarral-Ávila, Vicenta; Burgos-Díaz, César; Ferrer, Ruth; Rubilar, Mónica

    2017-04-01

    Ulmo honey originating from Eucryphia cordifolia tree, known locally in the Araucania region as the Ulmo tree is a natural product with valuable nutritional and medicinal qualities. It has been used in the Mapuche culture to treat infections. This study aimed to identify the volatile and non-volatile/semi-volatile compounds of Ulmo honey and elucidate its in vitro biological properties by evaluating its antioxidant, antibacterial, antiproliferative and hemolytic properties and cytotoxicity in Caco-2 cells. Headspace volatiles of Ulmo honey were isolated by solid-phase microextraction (SPME); non-volatiles/semi-volatiles were obtained by removing all saccharides with acidified water and the compounds were identified by GC/MS analysis. Ulmo honey volatiles consisted of 50 compounds predominated by 20 flavor components. Two of the volatile compounds, lyrame and anethol have never been reported before as honey compounds. The non-volatile/semi-volatile components of Ulmo honey comprised 27 compounds including 13 benzene derivatives accounting 75% of the total peak area. Ulmo honey exhibited weak antioxidant activity but strong antibacterial activity particularly against gram-negative bacteria and methicillin-resistant Staphylococcus aureus (MRSA), the main strain involved in wounds and skin infections. At concentrations >0.5%, Ulmo honey reduced Caco-2 cell viability, released lactate dehydrogenase (LDH) and increased reactive oxygen species (ROS) production in a dose dependent manner in the presence of foetal bovine serum (FBS). The wide array of volatile and non-volatile/semi-volatile constituents of Ulmo honey rich in benzene derivatives may partly account for its strong antibacterial and antiproliferative properties important for its therapeutic use. Our results indicate that Ulmo honey can potentially inhibit cancer growth at least partly by modulating oxidative stress. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Predicting soil, water and air concentrations of environmental contaminants locally and regionally; multimedia transport and transformation models

    International Nuclear Information System (INIS)

    McKone, T.E.; Daniels, J.I.

    1991-01-01

    Environmental scientists recognize that the environment functions as a complex, interconnected system. A realistic risk-management strategy for many contaminants requires a comprehensive and integrated assessment of local and regional transport and transformation processes. In response to this need, we have developed multimedia models that simulate the movement and transformation of chemicals as they spread through air, water, biota, soils, sediments, surface water and ground water. Each component of the environment is treated as a homogeneous subsystem that can exchange water, nutrients, and chemical contaminants with other adjacent compartments. In this paper, we illustrate the use of multimedia models and measurements as tools for screening the potential risks of contaminants released to air and deposited onto soil and plants. The contaminant list includes the volatile organic compounds (VOCs) tetrachloroethylene (PCE) and trichloroethylene (TCE), the semi-volatile organic compound benzo(a)pyrene, and the radionuclides tritium and uranium-238. We examine how chemical properties effect both the ultimate route and quantity of human and ecosystem contact and identify sensitivities and uncertainties in the model results. We consider the advantages of multimedia models relative to environmental monitoring data. (au)

  7. Development of synthetic volatile attractant for maleEctropis obliqua moths

    Institute of Scientific and Technical Information of China (English)

    SUN Xiao-ling; LI Xi-wang; XIN Zhao-jun; HAN Juan-juan; RAN Wei; LEI Shu

    2016-01-01

    The tea geometridEctropis obliquais one of the most serious leaf-feeding insect pests in tea (Camelia sinensis) in East Asia. Although several volatile chemicals emitted from tea plants have been reported to be attractive toE. obliqua moths, no synthetic attractants for E. obliqua moths have been developed. By measuring the behavioral responses of the moth to a series of chemicals in the lab, we found that a blend containing a ternary mixture containing (Z)-3-hexenal, (Z)-3-hexenyl hexanoate and benzyl alcohol clearly attracted toE. obliqua moths of both sex and that (Z)-3-hexenyl acetate could enhance the attractiveness of the ternary blend. Moreover, we found that the volatiles emitted from the plant-E. obliqua larva com-plex have the same attractiveness as: 1) the blend of volatiles containing the ternary mixture and 2) the blend containing (Z)-3-hexenyl acetate plus the ternary mixture to both male and female moths. In a ifeld bioassay, more male moths were observed on traps that were baited with the blend containing (Z)-3-hexenyl acetate plus the ternary mixture than on control traps. Our study raises the tantalizing possibility that synthetic blends could be deployed as attractants for pests in the ifeld.

  8. Nanostructured Polypyrrole-Based Ammonia and Volatile Organic Compound Sensors

    Directory of Open Access Journals (Sweden)

    Milena Šetka

    2017-03-01

    Full Text Available The aim of this review is to summarize the recent progress in the fabrication of efficient nanostructured polymer-based sensors with special focus on polypyrrole. The correlation between physico-chemical parameters, mainly morphology of various polypyrrole nanostructures, and their sensitivity towards selected gas and volatile organic compounds (VOC is provided. The different approaches of polypyrrole modification with other functional materials are also discussed. With respect to possible sensors application in medicine, namely in the diagnosis of diseases via the detection of volatile biomarkers from human breath, the sensor interaction with humidity is described as well. The major attention is paid to analytes such as ammonia and various alcohols.

  9. Human skin microbiota and their volatiles as odour baits for the malaria mosquito Anopheles gambiae s.s

    NARCIS (Netherlands)

    Verhulst, N.O.; Mukabana, W.R.; Takken, W.; Smallegange, R.C.

    2011-01-01

    Host seeking by the malaria mosquito Anopheles gambiae Giles sensu stricto (Diptera: Culicidae) is mainly guided by volatile chemicals present in human odours. The skin microbiota plays an important role in the production of these volatiles, and skin bacteria grown on agar plates attract An. gambiae

  10. New Potentiometric Wireless Chloride Sensors Provide High Resolution Information on Chemical Transport Processes in Streams

    Directory of Open Access Journals (Sweden)

    Keith Smettem

    2017-07-01

    Full Text Available Quantifying the travel times, pathways, and dispersion of solutes moving through stream environments is critical for understanding the biogeochemical cycling processes that control ecosystem functioning. Validation of stream solute transport and exchange process models requires data obtained from in-stream measurement of chemical concentration changes through time. This can be expensive and time consuming, leading to a need for cheap distributed sensor arrays that respond instantly and record chemical transport at points of interest on timescales of seconds. To meet this need we apply new, low-cost (in the order of a euro per sensor potentiometric chloride sensors used in a distributed array to obtain data with high spatial and temporal resolution. The application here is to monitoring in-stream hydrodynamic transport and dispersive mixing of an injected chemical, in this case NaCl. We present data obtained from the distributed sensor array under baseflow conditions for stream reaches in Luxembourg and Western Australia. The reaches were selected to provide a range of increasingly complex in-channel flow patterns. Mid-channel sensor results are comparable to data obtained from more expensive electrical conductivity meters, but simultaneous acquisition of tracer data at several positions across the channel allows far greater spatial resolution of hydrodynamic mixing processes and identification of chemical ‘dead zones’ in the study reaches.

  11. De novo biosynthesis of volatiles induced by insect herbivory in cotton plants

    International Nuclear Information System (INIS)

    Pare, P.W.; Tumlinson, J.H.

    1997-01-01

    In response to insect feeding on the leaves, cotton (Gossypium hirsutum L.) plants release elevated levels of volatiles, which can serve as a chemical signal that attracts natural enemies of the herbivore to the damaged plant. Pulse-labeling experiments with [13C]CO2 demonstrated that many of the volatiles released, including the acyclic terpenes (E,E)-alpha-farnesene, (E)-beta-farnesene, (E)-beta-ocimene, linalool,(E)-4,8-dimethyl-1,3,7-nonatriene, and (E,E)-4,8,12-trimethyl-1,3,7,11-tridecatetrane, as well as the shikimate pathway product indole, are biosynthesized de novo following insect damage. However, other volatile constituents, including several cyclic terpenes, butyrates, and green leaf volatiles of the lipoxygenase pathway are released from storage or synthesized from stored intermediates. Analysis of volatiles from artificially damaged plants, with and without beet armyworm (Spodoptera exigua Hubner) oral secretions exogenously applied to the leaves, as well as volatiles from beet armyworm-damaged and -undamaged control plants, demonstrated that the application of caterpillar oral secretions increased both the production and release of several volatiles that are synthesized de novo in response to insect feeding. These results establish that the plant plays an active and dynamic role in mediating the interaction between herbivores and natural enemies of herbivores

  12. Chemical Transport Knockout for Oxidized Vitamin C, Dehydroascorbic Acid, Reveals Its Functions in vivo

    Directory of Open Access Journals (Sweden)

    Hongbin Tu

    2017-09-01

    Full Text Available Despite its transport by glucose transporters (GLUTs in vitro, it is unknown whether dehydroascorbic acid (oxidized vitamin C, DHA has any in vivo function. To investigate, we created a chemical transport knockout model using the vitamin C analog 6-bromo-ascorbate. This analog is transported on sodium-dependent vitamin C transporters but its oxidized form, 6-bromo-dehydroascorbic acid, is not transported by GLUTs. Mice (gulo−/− unable to synthesize ascorbate (vitamin C were raised on 6-bromo-ascorbate. Despite normal survival, centrifugation of blood produced hemolysis secondary to near absence of red blood cell (RBC ascorbate/6-bromo-ascorbate. Key findings with clinical implications were that RBCs in vitro transported dehydroascorbic acid but not bromo-dehydroascorbic acid; RBC ascorbate in vivo was obtained only via DHA transport; ascorbate via DHA transport in vivo was necessary for RBC structural integrity; and internal RBC ascorbate was essential to maintain ascorbate plasma concentrations in vitro/in vivo.

  13. Development and Characterization of a Thermodenuder for Aerosol Volatility Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Timothy Onasch

    2009-09-09

    This SBIR Phase I project addressed the critical need for improved characterization of carbonaceous aerosol species in the atmosphere. The proposed work focused on the development of a thermodenuder (TD) system capable of systematically measuring volatility profiles of primary and secondary organic aerosol species and providing insight into the effects of absorbing and nonabsorbing organic coatings on particle absorption properties. This work provided the fundamental framework for the generation of essential information needed for improved predictions of ambient aerosol loadings and radiative properties by atmospheric chemistry models. As part of this work, Aerodyne Research, Inc. (ARI) continued to develop and test, with the final objective of commercialization, an improved thermodenuder system that can be used in series with any aerosol instrument or suite of instruments (e.g., aerosol mass spectrometers-AMS, scanning mobility particle sizers-SMPS, photoacoustic absorption spectrometers-PAS, etc.) to obtain aerosol chemical, physical, and optical properties as a function of particle volatility. In particular, we provided the proof of concept for the direct coupling of our improved TD design with a full microphysical model to obtain volatility profiles for different organic aerosol components and to allow for meaningful comparisons between different TD-derived aerosol measurements. In a TD, particles are passed through a heated zone and a denuding (activated charcoal) zone to remove semi-volatile material. Changes in particle size, number concentration, optical absorption, and chemical composition are subsequently detected with aerosol instrumentation. The aerosol volatility profiles provided by the TD will strengthen organic aerosol emission inventories, provide further insight into secondary aerosol formation mechanisms, and provide an important measure of particle absorption (including brown carbon contributions and identification, and absorption enhancements

  14. Role of volatilization in changing TBA and MTBE concentrations at MTBE-contaminated sites.

    Science.gov (United States)

    Eweis, Juana B; Labolle, Eric M; Benson, David A; Fogg, Graham E

    2007-10-01

    Tertiary butyl alcohol (TBA) is commonly found as an impurity in methyl tertiary butyl ether (MTBE) added to gasoline. Frequent observations of high TBA, and especially rising TBA/MTBE concentration ratios, in groundwater at gasoline spill sites are generally attributed to microbial conversion of MTBE to TBA. Typically overlooked is the role of volatilization in the attenuation of these chemicals especially in the vadose zone, which is a source of contamination to groundwater. Here we show that volatilization, particularly through remediation by vapor extraction, can substantially affect the trends in TBA and MTBE concentrations and the respective mass available to impact groundwater aquifers, through the preferential removal of more volatile compounds, including MTBE, and the apparent enrichment of less volatile compounds like TBA. We demonstrate this phenomenon through numerical simulations of remedial-enhanced volatilization. Results show increases in TBA/MTBE concentration ratios consistent with ratios observed in groundwater at gasoline spill sites. Volatilization is an important, and potentially dominant, process that can result in concentration trends similar to those typically attributed to biodegradation.

  15. Changes in volatile composition and sensory attributes of wines during alcohol content reduction.

    Science.gov (United States)

    Longo, Rocco; Blackman, John W; Torley, Peter J; Rogiers, Suzy Y; Schmidtke, Leigh M

    2017-01-01

    A desirable sensory profile is a major consumer driver for wine acceptability and should be considered during the production of reduced-alcohol wines. Although various viticultural practices and microbiological approaches show promising results, separation technologies such as membrane filtration, in particular reverse osmosis and evaporative perstraction, in addition to vacuum distillation, represent the most common commercial methods used to produce reduced-alcohol wine. However, ethanol removal from wine can result in a significant loss of volatile compounds such as esters (ethyl octanoate, ethyl acetate, isoamyl acetate) that contribute positively to the overall perceived aroma. These losses can potentially reduce the acceptability of the wine to consumers and decrease their willingness to purchase wines that have had their alcohol level reduced. The change in aroma as a result of the ethanol removal processes is influenced by a number of factors: the type of alcohol reduction process; the chemical-physical properties (volatility, hydrophobicity, steric hindrance) of the aroma compounds; the retention properties of the wine non-volatile matrix; and the ethanol level. This review identifies and summarises possible deleterious influences of the dealcoholisation process and describes best practice strategies to maintain the original wine composition. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  16. Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area

    Directory of Open Access Journals (Sweden)

    A. P. Tsimpidi

    2010-01-01

    Full Text Available New primary and secondary organic aerosol modules have been added to PMCAMx, a three dimensional chemical transport model (CTM, for use with the SAPRC99 chemistry mechanism based on recent smog chamber studies. The new modelling framework is based on the volatility basis-set approach: both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. This new framework with the use of the new volatility basis parameters for low-NOx and high-NOx conditions tends to predict 4–6 times higher anthropogenic SOA concentrations than those predicted with the older generation of models. The resulting PMCAMx-2008 was applied in Mexico City Metropolitan Area (MCMA for approximately a week during April 2003 during a period of very low regional biomass burning impact. The emission inventory, which uses as a starting point the MCMA 2004 official inventory, is modified and the primary organic aerosol (POA emissions are distributed by volatility based on dilution experiments. The predicted organic aerosol (OA concentrations peak in the center of Mexico City, reaching values above 40 μg m−3. The model predictions are compared with the results of the Positive Matrix Factorization (PMF analysis of the Aerosol Mass Spectrometry (AMS observations. The model reproduces both Hydrocarbon-like Organic Aerosol (HOA and Oxygenated Organic Aerosol (OOA concentrations and diurnal profiles. The small OA underprediction during the rush-hour periods and overprediction in the afternoon suggest potential improvements to the description of fresh primary organic emissions and the formation of the oxygenated organic aerosols, respectively, although they may also be due to errors in the simulation of dispersion and vertical mixing. However, the AMS OOA data are not specific enough to prove that the model reproduces the organic aerosol

  17. Effect of Trichoderma viride biofertilizer on ammonia volatilization from an alkaline soil in Northern China.

    Science.gov (United States)

    Wang, Xia; Xu, Shengjun; Wu, Shanghua; Feng, Shugeng; Bai, Zhihui; Zhuang, Guoqiang; Zhuang, Xuliang

    2018-04-01

    Ammonia (NH 3 ) volatilization is one of the primary pathways of nitrogen (N) loss from soils after chemical fertilizer is applied, especially from the alkaline soils in Northern China, which results in lower efficiency for chemical fertilizers. Therefore, we conducted an incubation experiment using an alkaline soil from Tianjin (pH8.37-8.43) to evaluate the suppression effect of Trichoderma viride (T. viride) biofertilizer on NH 3 volatilization, and compared the differences in microbial community structure among all samples. The results showed that viable T. viride biofertilizer (T) decreased NH 3 volatilization by 42.21% compared with conventional fertilizer ((CK), urea), while nonviable T. viride biofertilizer (TS) decreased NH 3 volatilization by 32.42%. NH 3 volatilization was significantly higher in CK and sweet potato starch wastewater (SPSW) treatments during the peak period. T. viride biofertilizer also improved the transfer of ammonium from soil to sweet sorghum. Plant dry weights increased 91.23% and 61.08% for T and TS, respectively, compared to CK. Moreover, T. viride biofertilizer enhanced nitrification by increasing the abundance of ammonium-oxidizing archaea (AOA) and ammonium-oxidizing bacteria (AOB). The results of high-throughput sequencing indicated that the microbial community structure and composition were significantly changed by the application of T. viride biofertilizer. This study demonstrated the immense potential of T. viride biofertilizer in reducing NH 3 volatilization from alkaline soil and simultaneously improving the utilization of fertilizer N by sweet sorghum. Copyright © 2017. Published by Elsevier B.V.

  18. 40 CFR 80.27 - Controls and prohibitions on gasoline volatility.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Controls and prohibitions on gasoline... prohibitions on gasoline volatility. (a)(1) Prohibited activities in 1991. During the 1991 regulatory control... shall sell, offer for sale, dispense, supply, offer for supply, or transport gasoline whose Reid vapor...

  19. Graphene Chemical Sensor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop graphene based miniaturized chemical sensors that will be able to detect gaseous and volatile molecules with high sensitivity, good reproducibility and wide...

  20. Visualising the equilibrium distribution and mobility of organic contaminants in soil using the chemical partitioning space.

    Science.gov (United States)

    Wong, Fiona; Wania, Frank

    2011-06-01

    Assessing the behaviour of organic chemicals in soil is a complex task as it is governed by the physical chemical properties of the chemicals, the characteristics of the soil as well as the ambient conditions of the environment. The chemical partitioning space, defined by the air-water partition coefficient (K(AW)) and the soil organic carbon-water partition coefficient (K(OC)), was employed to visualize the equilibrium distribution of organic contaminants between the air-filled pores, the pore water and the solid phases of the bulk soil and the relative importance of the three transport processes removing contaminants from soil (evaporation, leaching and particle erosion). The partitioning properties of twenty neutral organic chemicals (i.e. herbicides, pharmaceuticals, polychlorinated biphenyls and volatile chemicals) were estimated using poly-parameter linear free energy relationships and superimposed onto these maps. This allows instantaneous estimation of the equilibrium phase distribution and mobility of neutral organic chemicals in soil. Although there is a link between the major phase and the dominant transport process, such that chemicals found in air-filled pore space are subject to evaporation, those in water-filled pore space undergo leaching and those in the sorbed phase are associated with particle erosion, the partitioning coefficient thresholds for distribution and mobility can often deviate by many orders of magnitude. In particular, even a small fraction of chemical in pore water or pore air allows for evaporation and leaching to dominate over solid phase transport. Multiple maps that represent soils that differ in the amount and type of soil organic matter, water saturation, temperature, depth of surface soil horizon, and mineral matters were evaluated.

  1. Asymmetric Realized Volatility Risk

    Directory of Open Access Journals (Sweden)

    David E. Allen

    2014-06-01

    Full Text Available In this paper, we document that realized variation measures constructed from high-frequency returns reveal a large degree of volatility risk in stock and index returns, where we characterize volatility risk by the extent to which forecasting errors in realized volatility are substantive. Even though returns standardized by ex post quadratic variation measures are nearly Gaussian, this unpredictability brings considerably more uncertainty to the empirically relevant ex ante distribution of returns. Explicitly modeling this volatility risk is fundamental. We propose a dually asymmetric realized volatility model, which incorporates the fact that realized volatility series are systematically more volatile in high volatility periods. Returns in this framework display time varying volatility, skewness and kurtosis. We provide a detailed account of the empirical advantages of the model using data on the S&P 500 index and eight other indexes and stocks.

  2. The impacts of pore-scale physical and chemical heterogeneities on the transport of radionuclide-carrying colloids

    Energy Technology Data Exchange (ETDEWEB)

    WU, Ning

    2018-04-24

    Independent of the methods of nuclear waste disposal, the degradation of packaging materials could lead to mobilization and transport of radionuclides into the geosphere. This process can be significantly accelerated due to the association of radionuclides with the backfill materials or mobile colloids in groundwater. The transport of these colloids is complicated by the inherent coupling of physical and chemical heterogeneities (e.g., pore space geometry, grain size, charge heterogeneity, and surface hydrophobicity) in natural porous media that can exist on the length scale of a few grains. In addition, natural colloids themselves are often heterogeneous in their surface properties (e.g., clay platelets possess opposite charges on the surface and along the rim). Both physical and chemical heterogeneities influence the transport and retention of radionuclides under various groundwater conditions. However, the precise mechanisms how these coupled heterogeneities influence colloidal transport are largely elusive. This knowledge gap is a major source of uncertainty in developing accurate models to represent the transport process and to predict distribution of radionuclides in the geosphere.

  3. Effect of sugars on liquid-vapour partition of volatile compounds in ready-to-drink coffee beverages.

    Science.gov (United States)

    Piccone, P; Lonzarich, V; Navarini, L; Fusella, G; Pittia, P

    2012-09-01

    The effect of sugars (sucrose, lactose, glucose, fructose, 10%w/v) on the liquid-vapour partition of selected volatile compounds of coffee beverages has been investigated in espresso coffee and ready-to-drink (RTD) canned coffee prepared and obtained by using the same Arabica roasted coffee beans blend. Aroma composition of coffee beverages has been preliminary investigated by headspace-gas chromatography (HS-GC) and solid phase microextraction-HS-GC-mass spectrometry to characterize the volatile pattern of the systems and to evaluate the effects of sugars on the aroma release/retention. Then, the liquid-vapour partition coefficient (k) of 4 selected key aroma compounds (diacetyl, 2,3-pentanedione, ethylpyrazine, hexanal) was determined in water, sugars solutions as well as RTD coffee brews added with the same sugars (10%w/v). Sugars added in coffee beverages affected the release of the volatiles and thus its aroma profile with differences due to the type of added sugar and coffee brew type. The k values of the selected volatile compounds resulted different depending on the model system composition (water, coffee brew) and sugar type added. In particular, melanoidins as well as other non-volatile components (lipids, acids, carbohydrates) in the RTD coffee brews could be implied in the change of k of the volatile compounds in respect to that observed in water. The effects of the sugar type on the release/retention of the four key coffee aroma compounds were partly explained in terms of 'salting out' especially for the more polar volatile compounds and in the sucrose-added model systems. The change of chemical and physico-chemical properties of the water and brews induced by the sugars as well as the occurrence of interactions between volatile compounds and non-volatile components may be implied in the reduction of the vapour partition of the aroma compounds. Copyright © 2012 John Wiley & Sons, Ltd.

  4. It’s all about volatility of volatility

    DEFF Research Database (Denmark)

    Grassi, Stefano; Santucci de Magistris, Paolo

    2015-01-01

    The persistent nature of equity volatility is investigated by means of a multi-factor stochastic volatility model with time varying parameters. The parameters are estimated by means of a sequential matching procedure which adopts as auxiliary model a time-varying generalization of the HAR model f...

  5. Relationships between volatile compounds and sensory characteristics in virgin olive oil by analytical and chemometric approaches.

    Science.gov (United States)

    Procida, Giuseppe; Cichelli, Angelo; Lagazio, Corrado; Conte, Lanfranco S

    2016-01-15

    The volatile fraction of virgin olive oil is characterised by low molecular weight compounds that vaporise at room temperature. In order to obtain an aroma profile similar to natural olfactory perception, the composition of the volatile compounds was determined by applying dynamic headspace gas chromatography, performed at room temperature, with a cryogenic trap directly connected to a gas chromatograph-mass spectrometer system. Samples were also evaluated according to European Union and International Olive Council official methods for sensory evaluation. In this paper, the composition of the volatile fraction of 25 extra virgin olive oils from different regions of Italy was analysed and some preliminary considerations on relationships between chemical composition of volatile fraction and sensory characteristics are reported. Forty-two compounds were identified by means of the particular analytical technique used. All the analysed samples, classified as extra virgin by the panel test, never present peaks whose magnitude is important enough in defected oils. The study was focused on the evaluation of volatile compounds responsible for the positive impact on olive odour properties ('green-fruity' and 'sweet') and olfactory perception. Chemometric evaluation of data, obtained through headspace analysis and the panel test evaluation, showed a correlation between chemical compounds and sensory properties. On the basis of the results, the positive attributes of virgin olive oil are divided into two separated groups: sweet types or green types. Sixteen volatile compounds with known positive impact on odour properties were extracted and identified. In particular, eight compounds seem correlated with sweet properties whereas the green sensation appears to be correlated with eight other different substances. The content of the compounds at six carbon atoms proves to be very important in defining positive attributes of extra virgin olive oils and sensory evaluation. © 2015

  6. Slow Release of Plant Volatiles Using Sol-Gel Dispensers.

    Science.gov (United States)

    Bian, L; Sun, X L; Cai, X M; Chen, Z M

    2014-12-01

    The black citrus aphid, also known as the tea aphid, (Toxoptera aurantii Boyer) attacks economically important crops, including tea (Camellia sinensis (L.) O. Kuntze). In the current study, silica sol-gel formulations were screened to find one that could carry and release C. sinensis plant volatiles to lure black citrus aphids in a greenhouse. The common plant volatile trans-2-hexen-1-al was used as a model molecule to screen for suitable sol-gel formulations. A zNose (Electronic Sensor Technology, Newbury Park, CA) transportable gas chromatograph was used to continuously monitor the volatile emissions. A sol-gel formulation containing tetramethyl orthosilicate and methyltrimethoxysilane in an 8:2 (vol:vol) ratio was selected to develop a slow-release dispenser. The half-life of trans-2-hexen-1-al in the sol-gel dispenser increased slightly with the volume of this compound in the dispenser. Ten different volatiles were tested in the sol-gel dispenser. Alcohols of 6-10 carbons had the longest half-lives (3.01-3.77 d), while esters of 6-12 carbons had the shortest (1.53-2.28 d). Release of these volatiles from the dispensers could not be detected by the zNose after 16 d (cis-3-hexenyl acetate) to 26 d (3,7-dimethylocta-1,6-dien-3-ol). In greenhouse experiments, trans-2-hexen-1-al and cis-3-hexen-1-ol released from the sol-gel dispensers attracted aphids for ≍17 d, and release of these volatiles could not be detected by the zNose after ≍24 d. The sol-gel dispensers performed adequately for the slow release of plant volatiles to trap aphids in the greenhouse. © 2014 Entomological Society of America.

  7. Male Sexual Behavior and Pheromone Emission Is Enhanced by Exposure to Guava Fruit Volatiles in Anastrepha fraterculus.

    Directory of Open Access Journals (Sweden)

    Guillermo E Bachmann

    Full Text Available Plant chemicals can affect reproductive strategies of tephritid fruit flies by influencing sex pheromone communication and increasing male mating competitiveness.We explored whether exposure of Anastrepha fraterculus males to guava fruit volatiles and to a synthetic blend of volatile compounds released by this fruit affects the sexual performance of wild and laboratory flies. By means of bioassays and pheromone collection we investigated the mechanism underlying this phenomenon.Guava volatile exposure enhanced male mating success and positively affected male calling behavior and pheromone release in laboratory and wild males. Changes in male behavior appear to be particularly important during the initial phase of the sexual activity period, when most of the mating pairs are formed. Exposure of laboratory males to a subset of guava fruit volatiles enhanced mating success, showing that the response to the fruit might be mimicked artificially.Volatiles of guava seem to influence male mating success through an enhancement of chemical and physical signals related to the communication between sexes. This finding has important implications for the management of this pest species through the Sterile Insect Technique. We discuss the possibility of using artificial blends to improve the sexual competitiveness of sterile males.

  8. MISTRAL: A game-theoretical model to allocate security measures in a multi-modal chemical transportation network with adaptive adversaries

    International Nuclear Information System (INIS)

    Talarico, Luca; Reniers, Genserik; Sörensen, Kenneth; Springael, Johan

    2015-01-01

    In this paper we present a multi-modal security-transportation model to allocate security resources within a chemical supply chain which is characterized by the use of different transport modes, each having their own security features. We consider security-related risks so as to take measures against terrorist acts which could target critical transportation systems. The idea of addressing security-related issues, by supporting decisions for preventing or mitigating intentional acts on transportation infrastructure, has gained attention in academic research only recently. The decision model presented in this paper is based on game theory and it can be employed to organize intelligence capabilities aimed at securing chemical supply chains. It enables detection and warning against impending attacks on transportation infrastructures and the subsequent adoption of security countermeasures. This is of extreme importance for preventing terrorist attacks and for avoiding (possibly huge) human and economic losses. In our work we also provide data sources and numerical simulations by applying the proposed model to a illustrative multi-modal chemical supply chain. - Highlights: • A model to increase the security in a multimodal chemical supply chain is proposed. • The model considers adaptive opponents having multi-attribute utility functions. • The model is based on game theory using an attacker–defender schema. • The model provides recommendations about where to allocate security measures. • Numerical simulations on a sample multimodal chemical supply chain are shown

  9. Latent Integrated Stochastic Volatility, Realized Volatility, and Implied Volatility: A State Space Approach

    DEFF Research Database (Denmark)

    Bach, Christian; Christensen, Bent Jesper

    process is downward biased. Implied volatility performs better than any of the alternative realized measures when forecasting future integrated volatility. The results are largely similar across the stock market (S&P 500), bond market (30-year U.S. T-bond), and foreign currency exchange market ($/£ )....

  10. A radiotracer study on the volatilization and transport effects of thermochemical reagents used in the analysis of alumina powders by slurry electrothermal vaporization inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Peschel, Birgit U.; Herdering, Wilhelm; Broekaert, Jose A.C.

    2007-01-01

    A neutron-activated Al 2 O 3 powder SRM 699 (NIST) containing the γ-radiation emitting radionuclides 51 Cr, 59 Fe, 60 Co and 65 Zn has been used to study the influence of thermochemical reagents on the volatilization and transport efficiency for these trace elements in electrothermal vaporization inductively coupled plasma mass spectrometry (ETV-ICP-MS) of Al 2 O 3 powders. From the signals in the γ-spectra for the radiotracers it has been found that less than 2% of the elements Cr, Fe, Co and Zn is left back in a graphite furnace from Al 2 O 3 powders at 2200 deg. C even without addition of a thermochemical reagent and the latter even was found to decrease the volatilization efficiencies. The recovery for the radiotracers on filters at the end of the transport tube as measured from the signals in the γ-spectra, however, was found to increase in most cases (i.e. from about 10% to more than 20%) when Pd(NO 3 ) 2 , Pd(NO 3 ) 2 + Mg(NO 3 ) 2 , PdCl 2 , IrCl 3 , SnCl 2 , AgCl, NaF, NH 4 Cl and NH 4 F were added at amounts generally used in electrothermal vaporization inductively coupled plasma mass spectrometry. However, when adding higher amounts as stoichiometrically required for a complete halogenation of the sample matrix in the case of AgCl, C 8 F 15 O 2 Na, IrCl 3 or PdCl 2 the transport efficiencies considerably decrease again. As shown in the case of NH 4 Cl the amount of thermochemical reagent used has to be optimized so as to obtain maximum analyte transport efficiencies. A comparison of the influence of NH 4 Cl on the transport efficiencies with its influence on the ETV-ICP-MS signals for Fe demonstrates the importance of transport efficiency changes for the effects of thermochemical reagents in electrothermal vaporization inductively coupled plasma mass spectrometry

  11. CHEMICAL ENGINEERING DIVISION SUMMARY REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Lawroski, S.; Vogel, R. C.; Levenson, Milton; Munnecke, V. H.

    1963-07-01

    Work reported includes: Chemical-Metallurgical Processing; Fuel Cycle Applications of Volatility and Fluidization Techniques; Calorimetry; Reactor Safety; Energy Conversion; and Determination of Nuclear Constants.

  12. Phase change materials in non-volatile storage

    OpenAIRE

    Ielmini, Daniele; Lacaita, Andrea L.

    2011-01-01

    After revolutionizing the technology of optical data storage, phase change materials are being adopted in non-volatile semiconductor memories. Their success in electronic storage is mostly due to the unique properties of the amorphous state where carrier transport phenomena and thermally-induced phase change cooperate to enable high-speed, low-voltage operation and stable data retention possible within the same material. This paper reviews the key physical properties that make this phase so s...

  13. DOES ENERGY CONSUMPTION VOLATILITY AFFECT REAL GDP VOLATILITY? AN EMPIRICAL ANALYSIS FOR THE UK

    Directory of Open Access Journals (Sweden)

    Abdul Rashid

    2013-10-01

    Full Text Available This paper empirically examines the relation between energy consumption volatility and unpredictable variations in real gross domestic product (GDP in the UK. Estimating the Markov switching ARCH model we find a significant regime switching in the behavior of both energy consumption and GDP volatility. The results from the Markov regime-switching model show that the variability of energy consumption has a significant role to play in determining the behavior of GDP volatilities. Moreover, the results suggest that the impacts of unpredictable variations in energy consumption on GDP volatility are asymmetric, depending on the intensity of volatility. In particular, we find that while there is no significant contemporaneous relationship between energy consumption volatility and GDP volatility in the first (low-volatility regime, GDP volatility is significantly positively related to the volatility of energy utilization in the second (high-volatility regime.

  14. Measurements of non-volatile aerosols with a VTDMA and their correlations with carbonaceous aerosols in Guangzhou, China

    Science.gov (United States)

    Cheung, Heidi H. Y.; Tan, Haobo; Xu, Hanbing; Li, Fei; Wu, Cheng; Yu, Jian Z.; Chan, Chak K.

    2016-07-01

    Simultaneous measurements of aerosol volatility and carbonaceous matters were conducted at a suburban site in Guangzhou, China, in February and March 2014 using a volatility tandem differential mobility analyzer (VTDMA) and an organic carbon/elemental carbon (OC / EC) analyzer. Low volatility (LV) particles, with a volatility shrink factor (VSF) at 300 °C exceeding 0.9, contributed 5 % of number concentrations of the 40 nm particles and 11-15 % of the 80-300 nm particles. They were composed of non-volatile material externally mixed with volatile material, and therefore did not evaporate significantly at 300 °C. Non-volatile material mixed internally with the volatile material was referred to as medium volatility (MV, 0.4 transported at low altitudes (below 1500 m) for over 40 h before arrival. Further comparison with the diurnal variations in the mass fractions of EC and the non-volatile OC in PM2.5 suggests that the non-volatile residuals may be related to both EC and non-volatile OC in the afternoon, during which the concentration of aged organics increased. A closure analysis of the total mass of LV and MV residuals and the mass of EC or the sum of EC and non-volatile OC was conducted. It suggests that non-volatile OC, in addition to EC, was one of the components of the non-volatile residuals measured by the VTDMA in this study.

  15. Rapid differentiation of Chinese hop varieties (Humulus lupulus) using volatile fingerprinting by HS-SPME-GC-MS combined with multivariate statistical analysis.

    Science.gov (United States)

    Liu, Zechang; Wang, Liping; Liu, Yumei

    2018-01-18

    Hops impart flavor to beer, with the volatile components characterizing the various hop varieties and qualities. Fingerprinting, especially flavor fingerprinting, is often used to identify 'flavor products' because inconsistencies in the description of flavor may lead to an incorrect definition of beer quality. Compared to flavor fingerprinting, volatile fingerprinting is simpler and easier. We performed volatile fingerprinting using head space-solid phase micro-extraction gas chromatography-mass spectrometry combined with similarity analysis and principal component analysis (PCA) for evaluating and distinguishing between three major Chinese hops. Eighty-four volatiles were identified, which were classified into seven categories. Volatile fingerprinting based on similarity analysis did not yield any obvious result. By contrast, hop varieties and qualities were identified using volatile fingerprinting based on PCA. The potential variables explained the variance in the three hop varieties. In addition, the dendrogram and principal component score plot described the differences and classifications of hops. Volatile fingerprinting plus multivariate statistical analysis can rapidly differentiate between the different varieties and qualities of the three major Chinese hops. Furthermore, this method can be used as a reference in other fields. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

  16. Urinary volatile compounds as biomarkers for lung cancer: a proof of principle study using odor signatures in mouse models of lung cancer.

    Directory of Open Access Journals (Sweden)

    Koichi Matsumura

    2010-01-01

    Full Text Available A potential strategy for diagnosing lung cancer, the leading cause of cancer-related death, is to identify metabolic signatures (biomarkers of the disease. Although data supports the hypothesis that volatile compounds can be detected in the breath of lung cancer patients by the sense of smell or through bioanalytical techniques, analysis of breath samples is cumbersome and technically challenging, thus limiting its applicability. The hypothesis explored here is that variations in small molecular weight volatile organic compounds ("odorants" in urine could be used as biomarkers for lung cancer. To demonstrate the presence and chemical structures of volatile biomarkers, we studied mouse olfactory-guided behavior and metabolomics of volatile constituents of urine. Sensor mice could be trained to discriminate between odors of mice with and without experimental tumors demonstrating that volatile odorants are sufficient to identify tumor-bearing mice. Consistent with this result, chemical analyses of urinary volatiles demonstrated that the amounts of several compounds were dramatically different between tumor and control mice. Using principal component analysis and supervised machine-learning, we accurately discriminated between tumor and control groups, a result that was cross validated with novel test groups. Although there were shared differences between experimental and control animals in the two tumor models, we also found chemical differences between these models, demonstrating tumor-based specificity. The success of these studies provides a novel proof-of-principle demonstration of lung tumor diagnosis through urinary volatile odorants. This work should provide an impetus for similar searches for volatile diagnostic biomarkers in the urine of human lung cancer patients.

  17. The ESA Lunar Lander and the search for Lunar Volatiles

    Science.gov (United States)

    Morse, A. D.; Barber, S. J.; Pillinger, J. M.; Sheridan, S.; Wright, I. P.; Gibson, E. K.; Merrifield, J. A.; Waltham, N. R.; Waugh, L. J.; Pillinger, C. T.

    2011-10-01

    extraction of volatiles and determine the volatile inventory of the moon with a view for future In-Situ Resource Utilization (ISRU). Surface samples will be collected by a robotic arm with the possibility of a rover to collect more distant samples. The concentration, chemical and accurate isotopic ratios (D/H, 12C/13C, 15N/14N, 18O/16O and noble gases) of liberated volatiles will be determined, possibly using similar technology to the Philae comet lander of the Rosetta mission [6]. An additional aim is the monitoring of the chemical and isotopic composition of the tenuous lunar atmosphere [7] which will become contaminated by active human exploration. The lunar atmosphere will provide information on the processes involved in forming lunar volatiles and their concentration mechanisms. Modelling the effects of contamination from the Lander is an essential part of this study so that these can be recognized and minimized.

  18. The role of the canonical biplot method in the study of volatile compounds in cheeses of variable composition

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Martin, M.I.; Vicente Tavera, S.; Revilla Martin, I.; Vivar Quintana, A.M.; Gonzalez Perez, C.; Hernandez Hierro, J.M.; Lobos Ortega, I.A.

    2016-07-01

    The canonical biplot method (CB) is used to determine the discriminatory power of volatile chemical compounds in cheese. These volatile compounds were used as variables in order to differentiate among 6 groups or populations of cheeses (combinations of two seasons (winter and summer) with 3 types of cheese (cow, sheep and goat’s milk). We analyzed a total of 17 volatile compounds by means of gas chromatography coupled with mass detection. The compounds included aldehydes and methyl-aldehydes, alcohols (primary, secondary and branched chain), ketones, methyl-ketones and esters in winter (WC) and summer (SC) cow’s cheeses, winter (WSh) and summer (SSh) sheep’s cheeses and in winter (WG) and summer (SG) goat’s cheeses. The CB method allows differences to be found as a function of the elaboration of the cheeses, the seasonality of the milk, and the separation of the six groups of cheeses, characterizing the specific volatile chemical compounds responsible for such differences. (Author)

  19. Effect of chemical degradation on fluxes of reactive compounds – a study with a stochastic Lagrangian transport model

    Directory of Open Access Journals (Sweden)

    J. Rinne

    2012-06-01

    Full Text Available In the analyses of VOC fluxes measured above plant canopies, one usually assumes the flux above canopy to equal the exchange at the surface. Thus one assumes the chemical degradation to be much slower than the turbulent transport. We used a stochastic Lagrangian transport model in which the chemical degradation was described as first order decay in order to study the effect of the chemical degradation on above canopy fluxes of chemically reactive species. With the model we explored the sensitivity of the ratio of the above canopy flux to the surface emission on several parameters such as chemical lifetime of the compound, friction velocity, stability, and canopy density. Our results show that friction velocity and chemical lifetime affected the loss during transport the most. The canopy density had a significant effect if the chemically reactive compound was emitted from the forest floor. We used the results of the simulations together with oxidant data measured during HUMPPA-COPEC-2010 campaign at a Scots pine site to estimate the effect of the chemistry on fluxes of three typical biogenic VOCs, isoprene, α-pinene, and β-caryophyllene. Of these, the chemical degradation had a major effect on the fluxes of the most reactive species β-caryophyllene, while the fluxes of α-pinene were affected during nighttime. For these two compounds representing the mono- and sesquiterpenes groups, the effect of chemical degradation had also a significant diurnal cycle with the highest chemical loss at night. The different day and night time loss terms need to be accounted for, when measured fluxes of reactive compounds are used to reveal relations between primary emission and environmental parameters.

  20. A Simplified Model for Volatile-N Oxidation

    DEFF Research Database (Denmark)

    Hansen, Stine; Glarborg, Peter

    2010-01-01

    In solid fuel flames, NO is largely formed from the oxidation of volatile nitrogen compounds such as HCN and NH3. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile-N oxidation. Simple global models for oxidation of HCN and NH3 from...... the literature should be used cautiously, since their predictive capabilities are limited, particularly under reducing conditions. Models for HCN/NH3/NO conversion based on the systematic reduction of a detailed chemical kinetic model offer high accuracy but rely on input estimates of combustion intermediates...... for the sub-bituminous and bituminous coals, especially at lower temperatures. The semiempirical correlations for estimating radical concentrations may also be useful in combination with models for other trace species, such as sulfur oxides, organic species, etc....

  1. Realized Volatility Risk

    NARCIS (Netherlands)

    D.E. Allen (David); M.J. McAleer (Michael); M. Scharth (Marcel)

    2013-01-01

    textabstractIn this paper we document that realized variation measures constructed from highfrequency returns reveal a large degree of volatility risk in stock and index returns, where we characterize volatility risk by the extent to which forecasting errors in realized volatility are substantive.

  2. Application of response surface methodology to optimise supercritical carbon dioxide extraction of volatile compounds from Crocus sativus.

    Science.gov (United States)

    Shao, Qingsong; Huang, Yuqiu; Zhou, Aicun; Guo, Haipeng; Zhang, Ailian; Wang, Yong

    2014-05-01

    Crocus sativus has been used as a traditional Chinese medicine for a long time. The volatile compounds of C. sativus appear biologically active and may act as antioxidants as well as anticonvulsants, antidepressants and antitumour agents. In order to obtain the highest possible yield of essential oils from C. sativus, response surface methodology was employed to optimise the conditions of supercritical fluid carbon dioxide extraction of the volatile compounds from C. sativus. Four factorswere investigated: temperature, pressure, extraction time and carbon dioxide flow rate. Furthermore, the chemical compositions of the volatile compounds extracted by supercritical fluid extraction were compared with those obtained by hydro-distillation and Soxhlet extraction. The optimum extraction conditions were found to be: optimised temperature 44.9°C, pressure 34.9 MPa, extraction time 150.2 min and CO₂ flow rate 10.1 L h⁻¹. Under these conditions, the mean extraction yield was 10.94 g kg⁻¹. The volatile compounds extracted by supercritical fluid extraction and Soxhlet extraction contained a large amount of unsaturated fatty acids. Response surface methodology was successfully applied for supercritical fluid CO₂ extraction optimisation of the volatile compounds from C. sativus. The study showed that pressure and CO₂ flow rate had significant effect on volatile compounds yield produced by supercritical fluid extraction. This study is beneficial for the further research operating on a large scale. © 2013 Society of Chemical Industry.

  3. Diaphorina citri Induces Huanglongbing-Infected Citrus Plant Volatiles to Repel and Reduce the Performance of Propylaea japonica.

    Science.gov (United States)

    Lin, Yongwen; Lin, Sheng; Akutse, Komivi S; Hussain, Mubasher; Wang, Liande

    2016-01-01

    Transmission of plant pathogens through insect vectors is a complex biological process involving interactions between the host plants, insects, and pathogens. Simultaneous impact of the insect damage and pathogenic bacteria in infected host plants induce volatiles that modify not only the behavior of its insect vector but also of their natural enemies, such as parasitoid wasps. Therefore, it is essential to understand how insects such as the predator ladybird beetle responds to volatiles emitted from a host plant and how the disease transmission alters the interactions between predators, vector, pathogens, and plants. In this study, we investigated the response of Propylaea japonica to volatiles from citrus plants damaged by Diaphorina citri and Candidatus Liberibacter asiaticus through olfactometer bioassays. Synthetic chemical blends were also used to determine the active compounds in the plant volatile. The results showed that volatiles emitted by healthy plants attracted more P. japonica than other treatments, due to the presence of high quantities of D-limonene and beta-ocimene, and the lack of methyl salicylate. When using synthetic chemicals in the olfactory tests, we found that D-limonene attracted P. japonica while methyl salicylate repelled the predator. However, beta-ocimene attracted the insects at lower concentrations but repelled them at higher concentrations. These results indicate that P. japonica could not efficiently search for its host by using volatile cues emitted from psyllids- and Las bacteria-infected citrus plants.

  4. Quality changes in irradiated and nonirradiated boiled-dried anchovies after inter-country transportation and storage at 25degC

    International Nuclear Information System (INIS)

    Kwon, J.H.; Byun, M.W.; Warrier, S.B.; Kamat, A.S.; Alur, M.D.; Nair, P.M.

    1993-01-01

    Samples of nonirradiated and irradiated (5 kGy) dried anchovies (Engraulis encrasicholus) were transported from Korea to India for evaluation of microbiological, physico-chemical and organoleptic parameters during storage. The nonirradiated anchovies showed mould growth and an increase in total bacterial count by three log cycles over the initial load, after four months of storage at 25degC. However, 5 kGy irradiated samples packed with a laminated nylon/polyethylene (NY/PE) film exhibited 10 2 bacterial cells per g even after 6 months storage. Hunter's colour value, total volatile basic nitrogen, browning and lipid oxidation showed a good correlation with the organoleptic quality of stored anchovies. Partial changes in irradiated anchovies did not influence organoleptic acceptability. Differences in the levels of total volatile basic nitrogen and total volatile acid values in irradiated and nonirradiated samples may prove useful in distinguishing irradiated Korean anchovies from nonirradiated samples. (author). 24 refs., 2 tabs., 1 fig

  5. Directed transport by surface chemical potential gradients for enhancing analyte collection in nanoscale sensors.

    Science.gov (United States)

    Sitt, Amit; Hess, Henry

    2015-05-13

    Nanoscale detectors hold great promise for single molecule detection and the analysis of small volumes of dilute samples. However, the probability of an analyte reaching the nanosensor in a dilute solution is extremely low due to the sensor's small size. Here, we examine the use of a chemical potential gradient along a surface to accelerate analyte capture by nanoscale sensors. Utilizing a simple model for transport induced by surface binding energy gradients, we study the effect of the gradient on the efficiency of collecting nanoparticles and single and double stranded DNA. The results indicate that chemical potential gradients along a surface can lead to an acceleration of analyte capture by several orders of magnitude compared to direct collection from the solution. The improvement in collection is limited to a relatively narrow window of gradient slopes, and its extent strongly depends on the size of the gradient patch. Our model allows the optimization of gradient layouts and sheds light on the fundamental characteristics of chemical potential gradient induced transport.

  6. Novel collection method for volatile organic compounds (VOCs) from dogs

    Science.gov (United States)

    Host derived chemical cues are an important aspect of arthropod attraction to potential hosts. Host cues that act over longer distances include CO2, heat, and water vapor, while cues such as volatile organic compounds (VOCs) act over closer distances. Domestic dogs are important hosts for disease cy...

  7. Induction of conidiation by endogenous volatile compounds in Trichoderma spp.

    Science.gov (United States)

    Nemcovic, Marek; Jakubíková, Lucia; Víden, Ivan; Farkas, Vladimír

    2008-07-01

    Light and starvation are two principal environmental stimuli inducing conidiation in the soil micromycete Trichoderma spp. We observed that volatiles produced by conidiating colonies of Trichoderma spp. elicited conidiation in colonies that had not been induced previously by exposure to light. The inducing effect of volatiles was both intra- and interspecific. Chemical profiles of the volatile organic compounds (VOCs) produced by the nonconidiated colonies grown in the dark and by the conidiating colonies were compared using solid-phase microextraction of headspace samples followed by tandem GC-MS. The conidiation was accompanied by increased production of eight-carbon compounds 1-octen-3-ol and its analogs 3-octanol and 3-octanone. When vapors of these compounds were applied individually to dark-grown colonies, they elicited their conidiation already at submicromolar concentrations. It is concluded that the eight-carbon VOCs act as signaling molecules regulating development and mediating intercolony communication in Trichoderma.

  8. Portuguese Thymbra and Thymus species volatiles: chemical composition and biological activities.

    Science.gov (United States)

    Figueiredo, A C; Barroso, J G; Pedro, L G; Salgueiro, L; Miguel, M G; Faleiro, M L

    2008-01-01

    Thymbra capitata and Thymus species are commonly known in Portugal as thyme and they are currently used as culinary herbs, as well as for ornamental, aromatizing and traditional medicinal purposes. The present work reports on the state of the art on the information available on the taxonomy, ethnobotany, cell and molecular biology of the Portuguese representatives of these genera and on the chemotaxonomy and antibacterial, antifungal and antioxidant activities of their essential oils and other volatile-containing extracts.

  9. Wintertime hygroscopicity and volatility of ambient urban aerosol particles

    Directory of Open Access Journals (Sweden)

    J. Enroth

    2018-04-01

    Full Text Available Hygroscopic and volatile properties of atmospheric aerosol particles with dry diameters of (20, 50, 75, 110 and 145 nm were determined in situ by using a volatility–hygroscopicity tandem differential mobility analyser (VH-TDMA system with a relative humidity of 90 % and denuding temperature of 270 °C in central Budapest during 2 months in winter 2014–2015. The probability density function of the hygroscopic growth factor (HGF showed a distinct bimodal distribution. One of the modes was characterised by an overall mean HGF of approximately 1.07 (this corresponds to a hygroscopicity parameter κ of 0.033 independently of the particle size and was assigned to nearly hydrophobic (NH particles. Its mean particle number fraction was large, and it decreased monotonically from 69 to 41 % with particle diameter. The other mode showed a mean HGF increasing slightly from 1.31 to 1.38 (κ values from 0.186 to 0.196 with particle diameter, and it was attributed to less hygroscopic (LH particles. The mode with more hygroscopic particles was not identified. The probability density function of the volatility GF (VGF also exhibited a distinct bimodal distribution with an overall mean VGF of approximately 0.96 independently of the particle size, and with another mean VGF increasing from 0.49 to 0.55 with particle diameter. The two modes were associated with less volatile (LV and volatile (V particles. The mean particle number fraction for the LV mode decreased from 34 to 21 % with particle diameter. The bimodal distributions indicated that the urban atmospheric aerosol contained an external mixture of particles with a diverse chemical composition. Particles corresponding to the NH and LV modes were assigned mainly to freshly emitted combustion particles, more specifically to vehicle emissions consisting of large mass fractions of soot likely coated with or containing some water-insoluble organic compounds such as non

  10. Speciation of anthropogenic emissions of non-methane volatile organic compounds: a global gridded data set for 1970–2012

    Directory of Open Access Journals (Sweden)

    G. Huang

    2017-06-01

    Full Text Available Non-methane volatile organic compounds (NMVOCs include a large number of chemical species which differ significantly in their chemical characteristics and thus in their impacts on ozone and secondary organic aerosol formation. It is important that chemical transport models (CTMs simulate the chemical transformation of the different NMVOC species in the troposphere consistently. In most emission inventories, however, only total NMVOC emissions are reported, which need to be decomposed into classes to fit the requirements of CTMs. For instance, the Emissions Database for Global Atmospheric Research (EDGAR provides spatially resolved global anthropogenic emissions of total NMVOCs. In this study the EDGAR NMVOC inventory was revised and extended in time and in sectors. Moreover the new version of NMVOC emission data in the EDGAR database were disaggregated on a detailed sector resolution to individual species or species groups, thus enhancing the usability of the NMVOC emission data by the modelling community. Region- and source-specific speciation profiles of NMVOC species or species groups are compiled and mapped to EDGAR processes (detailed resolution of sectors, with corresponding quality codes specifying the quality of the mapping. Individual NMVOC species in different profiles are aggregated to 25 species groups, in line with the common classification of the Global Emissions Initiative (GEIA. Global annual grid maps with a resolution of 0.1°  ×  0.1° for the period 1970–2012 are produced by sector and species. Furthermore, trends in NMVOC composition are analysed, taking road transport and residential sources in Germany and the United Kingdom (UK as examples.

  11. Chemical and olfactometric characterization of volatile flavor compounds in a fish oil enriched milk emulsion

    DEFF Research Database (Denmark)

    Venkateshwarlu Venkat, Guidipati; Bruni Let, Mette; Meyer, Anne S.

    2004-01-01

    cold storage (2 degreesC) for 14 days by dynamic headspace sampling followed by gas chromatography-mass spectrometry analyses. Different volatiles (n = 60) comprising alkenals, alkadienals, alkatrienals, and vinyl ketones were identified in the fish oil enriched milk. The potent odorants identified...... by gas chromatography-olfactometry were 1-penten-3-one, (Z)-4-heptenal, 1-octen-3-one, (Z)-1,5-octadien-3-one, (E,E)-2,4-heptadienal, and (E,Z)-2,6-nonadienal, but despite their potency, none of the separated volatiles imparted a fishy or metallic odor. Two isomers, (E,Z,Z) and (E,E,Z) of 2...

  12. Virtual volatility

    Science.gov (United States)

    Silva, A. Christian; Prange, Richard E.

    2007-03-01

    We introduce the concept of virtual volatility. This simple but new measure shows how to quantify the uncertainty in the forecast of the drift component of a random walk. The virtual volatility also is a useful tool in understanding the stochastic process for a given portfolio. In particular, and as an example, we were able to identify mean reversion effect in our portfolio. Finally, we briefly discuss the potential practical effect of the virtual volatility on an investor asset allocation strategy.

  13. Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.)

    International Nuclear Information System (INIS)

    Gyawali, Rajendra; Seo, Hye-Young; Lee, Hyun-Ju; Song, Hyun-Pa; Kim, Dong-Ho; Byun, Myung-Woo; Kim, Kyong-Su

    2006-01-01

    The volatile compounds of γ-irradiated dried Welsh onion were isolated by simultaneous distillation-extraction (SDE) technique and then analyzed by gas chromatography-mass spectrometry (GC-MS) along with their non-irradiated counterparts. A total of 35 volatile compounds were identified in non-irradiated and 1 kGy irradiated samples and 36 volatile compounds were identified in 3, 5, 10 and 20 kGy irradiated samples so far belong to chemical classes of acid, alcohol, aldehyde, ester, furan, ketone and S-containing compound. S-containing compounds were detected as major volatile compounds of all experimental samples. Though the content of several compounds was increased after irradiation, content of major S-containing compounds was found to decreased in the process. Application of high-dose irradiation if required for microbial decontamination of dried Welsh onion is feasible as it enhanced the total concentration of volatile compounds by 31.60% and 24.85% at 10 and 20 kGy, respectively

  14. Pore-scale modeling of vapor transport in partially saturated capillary tube with variable area using chemical potential

    DEFF Research Database (Denmark)

    Addassi, Mouadh; Schreyer, Lynn; Johannesson, Björn

    2016-01-01

    Here we illustrate the usefulness of using the chemical potential as the primary unknown by modeling isothermal vapor transport through a partially saturated cylindrically symmetric capillary tube of variable cross-sectional area using a single equation. There are no fitting parameters and the nu......Here we illustrate the usefulness of using the chemical potential as the primary unknown by modeling isothermal vapor transport through a partially saturated cylindrically symmetric capillary tube of variable cross-sectional area using a single equation. There are no fitting parameters...... and the numerical solutions to the equation are compared with experimental results with excellent agreement. We demonstrate that isothermal vapor transport can be accurately modeled without modeling the details of the contact angle, microscale temperature fluctuations, or pressure fluctuations using a modification...

  15. Ketertarikan Bactrocera carambolae (Diptera: Tephritidae pada Senyawa Volatil Olahan Limbah Kakao

    Directory of Open Access Journals (Sweden)

    Dyah Rini Indriyanti

    2013-03-01

    Full Text Available Tanaman kakao (Theobroma cacao menghasilkan biji. Biji ditutupi oleh pulp pada saat dipanen, kemudian difermentasi selama tiga hari untuk diambil biji kakao dan dihasilkan limbah cair. Penelitian ini bertujuan untuk menguji ketertarikan lalat buah pada olahan limbah kakao dan mengidentifikasi senyawa kimia volatil yang menarik lalat buah. Penelitian dilakukan di laboratorium, dimulai dari pengolahan limbah kakao, pengujian ketertarikan B. carambolae pada limbah dan mengidentifikasi senyawa volatil olahan limbah kakao. Hasil penelitian menunjukkan bahwa jantan dan betina B. carambolae tertarik pada limbah. Olahan limbah kakao berisi berbagai senyawa volatil yakni: amonia; etil-2-hidroksi propanoat ; 7-dodesenil asetat; senyawa asetamida; 3,5-dihidroksi-2-metil-5,6-dihidropiran; hidroksi metilfurfurol; dan derivat-1-undekuna.The cocoa plants (Theobroma cacao produce seeds. The seeds are covered by pulp when it is harvested. Then these seeds were fermented for three days to transform them becoming cocoa seeds and the fermentation would produce liquid wastes. The study aims to test the attractiveness of fruit flies to the processed liquid cocoa wastes and to identify the chemical compounds which attract fruit flies. The study was conducted in the laboratory, beginning from the processing of cocoa wastes, the testing of the attractiveness of B. carambolae to wastes and to identify the chemical compounds of the processed cocoa wastes. The result showed that males and females B. carambolae were attracted to the wastes.The processed cocoa wastes contain various chemical compounds, i.e. ammonia; ethyl-2-hydroxy propanoate; 7-dodecenyl acetate; acetamide compounds; 3,5 dihydroxy-2-methyl-5,6-dihydropyrane; hydroxyl methylfurfurol; and 1-undecyne derivates.

  16. Electrical resistivity tomography as monitoring tool for unsaturated zone transport: an example of preferential transport of deicing chemicals.

    Science.gov (United States)

    Wehrer, Markus; Lissner, Heidi; Bloem, Esther; French, Helen; Totsche, Kai Uwe

    2014-01-01

    Non-invasive spatially resolved monitoring techniques may hold the key to observe heterogeneous flow and transport behavior of contaminants in soils. In this study, time-lapse electrical resistivity tomography (ERT) was employed during an infiltration experiment with deicing chemical in a small field lysimeter. Deicing chemicals like potassium formate, which frequently impact soils on airport sites, were infiltrated during snow melt. Chemical composition of seepage water and the electrical response was recorded over the spring period 2010. Time-lapse electrical resistivity tomographs are able to show the infiltration of the melt water loaded with ionic constituents of deicing chemicals and their degradation product hydrogen carbonate. The tomographs indicate early breakthrough behavior in parts of the profile. Groundtruthing with pore fluid conductivity and water content variations shows disagreement between expected and observed bulk conductivity. This was attributed to the different sampling volume of traditional methods and ERT due to a considerable fraction of immobile water in the soil. The results show that ERT can be used as a soil monitoring tool on airport sites if assisted by common soil monitoring techniques.

  17. Growth and characterization of Bi2Se3 crystals by chemical vapor transport

    Directory of Open Access Journals (Sweden)

    W. H. Jiao

    2012-06-01

    Full Text Available Regularly-shaped high-quality Bi2Se3 crystals were grown by a chemical vapor transport using iodine as the transport agent. In addition to exhibiting a characteristic Dirac cone for a topological insulator, the Bi2Se3 crystals show some outstanding properties including additional crystallographic surfaces, large residual resistance ratio (∼10, and high mobility (∼8000 cm2·V−1·s−1. The low-temperature resistivity abnormally increases with applying pressures up to 1.7 GPa, and no superconductivity was observed down to 0.4 K.

  18. VOLATILE COMPOUNDS IDENTIFIED IN BARBADOS CHERRY ‘BRS-366 JABURÚ’

    Directory of Open Access Journals (Sweden)

    Y. M. Garcia

    2016-07-01

    Full Text Available In foods, the flavor and aroma are very important attributes, thus the main objective of this study was to identify the volatile compounds (VC of the "BRS-366 Jaburú" acerola variety, for which we used the solid phase microextraction method (SPE. The separation and identification of volatile compounds was made using gas chromatography-mass spectrometry (GC-MS. Three fibers were evaluated, Polydimethylsiloxane / Divinylbenzene (PDMS / DVB, 65 micrometres Divinylbenzene / Carboxen / Polydimethylsiloxane (DVB / CAR / PDMS 50/30 m and polyacrylate (PA 85 uM to compare the extraction of its components. Thirty-three volatile compounds were identified and classified into eight chemical classes: carboxylic acids, alcohols, aldehydes, ketones, esters, hydrocarbons, phenylpropanoids and terpenoids. The peak areas of each of the extracted compounds were expressed as percentages to indicate the relative concentration of each, of which ethyl acetate is distinguished by being responsible for the fruity aroma notes. Thus, the fiber PDMS / DVB was the best as it enabled to extract a greater amount of volatile compounds

  19. Thermal-chemical-mechanical feedback during fluid-rock interactions: Implications for chemical transport and scales of equilibria in the crust

    International Nuclear Information System (INIS)

    Dutrow, Barbara

    2008-01-01

    Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and

  20. Stability of selected volatile contact allergens in different patch test chambers under different storage conditions

    DEFF Research Database (Denmark)

    Mose, Kristian Fredløv; Andersen, Klaus Ejner; Christensen, Lars Porskjaer

    2012-01-01

    Background. Patch test preparations of volatile substances may evaporate during storage, thereby giving rise to reduced patch test concentrations. Objectives. To investigate the stability of selected acrylates/methacrylates and fragrance allergens in three different test chambers under different...... both storage conditions, whereas MMA and 2-HPA required cool storage for maintenance of the limit. Conclusion. The Van der Bend® transport container was the best device for storage of samples of volatile contact allergens....

  1. Volatility of 210Po in airborne dusts in an atmosphere of nitrogen

    International Nuclear Information System (INIS)

    Abe, Michiko; Abe, Siro; Ikeda, Nagao.

    1976-01-01

    Volatilization behavior of 210 Po contained in airborne dusts in the temperature range of 200 - 800 0 C was investigated in an atmosphere of nitrogen. It was revealed that the volatilization of 210 Po in airborne dusts in an atmosphere of nitrogen as a function of temperature can be expressed in a stairlike shape with two steps. This tendency is similar to the previous results obtained in air. The previous and present data may suggest that 210 Po in airborne dusts consists of two or more different kinds of chemical species. (auth.)

  2. Realized volatility and absolute return volatility: a comparison indicating market risk.

    Science.gov (United States)

    Zheng, Zeyu; Qiao, Zhi; Takaishi, Tetsuya; Stanley, H Eugene; Li, Baowen

    2014-01-01

    Measuring volatility in financial markets is a primary challenge in the theory and practice of risk management and is essential when developing investment strategies. Although the vast literature on the topic describes many different models, two nonparametric measurements have emerged and received wide use over the past decade: realized volatility and absolute return volatility. The former is strongly favored in the financial sector and the latter by econophysicists. We examine the memory and clustering features of these two methods and find that both enable strong predictions. We compare the two in detail and find that although realized volatility has a better short-term effect that allows predictions of near-future market behavior, absolute return volatility is easier to calculate and, as a risk indicator, has approximately the same sensitivity as realized volatility. Our detailed empirical analysis yields valuable guidelines for both researchers and market participants because it provides a significantly clearer comparison of the strengths and weaknesses of the two methods.

  3. Realized volatility and absolute return volatility: a comparison indicating market risk.

    Directory of Open Access Journals (Sweden)

    Zeyu Zheng

    Full Text Available Measuring volatility in financial markets is a primary challenge in the theory and practice of risk management and is essential when developing investment strategies. Although the vast literature on the topic describes many different models, two nonparametric measurements have emerged and received wide use over the past decade: realized volatility and absolute return volatility. The former is strongly favored in the financial sector and the latter by econophysicists. We examine the memory and clustering features of these two methods and find that both enable strong predictions. We compare the two in detail and find that although realized volatility has a better short-term effect that allows predictions of near-future market behavior, absolute return volatility is easier to calculate and, as a risk indicator, has approximately the same sensitivity as realized volatility. Our detailed empirical analysis yields valuable guidelines for both researchers and market participants because it provides a significantly clearer comparison of the strengths and weaknesses of the two methods.

  4. Unstable volatility

    DEFF Research Database (Denmark)

    Casas, Isabel; Gijbels, Irène

    2012-01-01

    The objective of this paper is to introduce the break-preserving local linear (BPLL) estimator for the estimation of unstable volatility functions for independent and asymptotically independent processes. Breaks in the structure of the conditional mean and/or the volatility functions are common...... in Finance. Nonparametric estimators are well suited for these events due to the flexibility of their functional form and their good asymptotic properties. However, the local polynomial kernel estimators are not consistent at points where the volatility function has a break. The estimator presented...

  5. Male Sexual Behavior and Pheromone Emission Is Enhanced by Exposure to Guava Fruit Volatiles in Anastrepha fraterculus

    Science.gov (United States)

    Bachmann, Guillermo E.; Segura, Diego F.; Devescovi, Francisco; Juárez, M. Laura; Ruiz, M. Josefina; Vera, M. Teresa; Cladera, Jorge L.; Fernández, Patricia C.

    2015-01-01

    Background Plant chemicals can affect reproductive strategies of tephritid fruit flies by influencing sex pheromone communication and increasing male mating competitiveness. Objective and Methodology We explored whether exposure of Anastrepha fraterculus males to guava fruit volatiles and to a synthetic blend of volatile compounds released by this fruit affects the sexual performance of wild and laboratory flies. By means of bioassays and pheromone collection we investigated the mechanism underlying this phenomenon. Results Guava volatile exposure enhanced male mating success and positively affected male calling behavior and pheromone release in laboratory and wild males. Changes in male behavior appear to be particularly important during the initial phase of the sexual activity period, when most of the mating pairs are formed. Exposure of laboratory males to a subset of guava fruit volatiles enhanced mating success, showing that the response to the fruit might be mimicked artificially. Conclusions Volatiles of guava seem to influence male mating success through an enhancement of chemical and physical signals related to the communication between sexes. This finding has important implications for the management of this pest species through the Sterile Insect Technique. We discuss the possibility of using artificial blends to improve the sexual competitiveness of sterile males. PMID:25923584

  6. Effect of γ-irradiation on the volatile compounds of medicinal herb, Paeoniae Radix

    International Nuclear Information System (INIS)

    Shim, Sung-Lye; Hwang, In-Min; Ryu, Keun-Young; Jung, Min-Seok; Seo, Hye-young; Kim, Hee-Yeon; Song, Hyun-Pa; Kim, Jae-Hun; Lee, Ju-Woon; Byun, Myung-Woo; Kwon, Joong-Ho; Kim, Kyong-Su

    2009-01-01

    A study was carried out to find the effect of γ-irradiation on contents of volatile compounds from medicinal herb, Paeoniae Radix (Paenia albiflora Pallas var. trichocarpa Bunge). The volatile compounds of control, 1, 3, 5 and 10 kGy irradiated samples were extracted by simultaneous steam distillation and extraction (SDE) method and analyzed by gas chromatograph-mass spectrometer. The major volatile compounds were paeonol, (E)-carveol, (E,E)-2,4-octadienal, methyl salicylate, myrtanol and eugenol acetate. Volatile compounds belonging to chemical classes of acids, alcohols, aldehydes, esters, hydrocarbons and miscellaneous were identified in all experimental samples. The types of volatile compounds in irradiated samples were similar to those of non-irradiated sample and the concentrations of these compounds differed between treatments. 1,3-Bis (1,1-dimethylethyl)-benzene was identified by using the selected ion monitoring (GC/MS-SIM) mode. The concentration of this compound increased with the increase of irradiation dose level. These results suggest that it could be used as the base data for the effect of γ-irradiation on medicinal herb.

  7. Effect of {gamma}-irradiation on the volatile compounds of medicinal herb, Paeoniae Radix

    Energy Technology Data Exchange (ETDEWEB)

    Shim, Sung-Lye; Hwang, In-Min; Ryu, Keun-Young; Jung, Min-Seok [Department of Food and Nutrition, Chosun University (Korea, Republic of); Seo, Hye-young [Korea Food Research Institute (Korea, Republic of); Kim, Hee-Yeon [Korea Food and Drug Administration (Korea, Republic of); Song, Hyun-Pa; Kim, Jae-Hun; Lee, Ju-Woon; Byun, Myung-Woo [Advanced Radiation Technology Institute, KAERI, Jeongeup 580-185 (Korea, Republic of); Kwon, Joong-Ho [Department of Food Science and Technology, Kyungpook National University (Korea, Republic of); Kim, Kyong-Su [Korea Food Research Institute (Korea, Republic of)], E-mail: kskim@chosun.ac.kr

    2009-07-15

    A study was carried out to find the effect of {gamma}-irradiation on contents of volatile compounds from medicinal herb, Paeoniae Radix (Paenia albiflora Pallas var. trichocarpa Bunge). The volatile compounds of control, 1, 3, 5 and 10 kGy irradiated samples were extracted by simultaneous steam distillation and extraction (SDE) method and analyzed by gas chromatograph-mass spectrometer. The major volatile compounds were paeonol, (E)-carveol, (E,E)-2,4-octadienal, methyl salicylate, myrtanol and eugenol acetate. Volatile compounds belonging to chemical classes of acids, alcohols, aldehydes, esters, hydrocarbons and miscellaneous were identified in all experimental samples. The types of volatile compounds in irradiated samples were similar to those of non-irradiated sample and the concentrations of these compounds differed between treatments. 1,3-Bis (1,1-dimethylethyl)-benzene was identified by using the selected ion monitoring (GC/MS-SIM) mode. The concentration of this compound increased with the increase of irradiation dose level. These results suggest that it could be used as the base data for the effect of {gamma}-irradiation on medicinal herb.

  8. Atmospheric transport of persistent organic pollutants to aquatic ecosystems

    Energy Technology Data Exchange (ETDEWEB)

    Agrell, Cecilia

    1999-04-01

    The load of persistent organic pollutants (POPs) is considered high in the Baltic ecosystem. The Baltic Sea spans over 12 latitudes and the regional differences in climate affect the behavior of POPs. Therefore spatial and temporal variability of the concentrations of POPs in air and precipitation within this area has been investigated at 16 (mostly rural) stations around the Baltic Sea between 1990-1993. In addition, the deposition of gaseous and particulate associated POPs to the Baltic Sea is estimated from empirical data. This atmospheric input of POPs is compared with the input from rivers. Additionally, data from Ross Island, Antarctica and Lake Kariba, Zimbabve, Africa is presented, and all results are discussed and explained using the `global fractionation hypothesis` as a framework. In the Baltic Sea, concentration of individual POPs in air were found to be influenced by their physical-chemical properties, ambient air temperature and location. A latitudinal gradient, with higher levels in the south was found for PCBs and the gradient was more pronounced for the low volatility congeners. As a result, the high volatility congeners in air increased in relative importance with latitude. Generally, PCB concentration increased with temperature, but slopes of the partial pressure in air versus reciprocal temperature were different between congeners and between stations. In general, the low volatility congeners were more temperature dependent than the high volatility PCB congeners. Steep slopes at a sampling location indicate that the concentration in air is largely determined by diffusive exchange with soils. Lack of a temperature dependence may be due to the influence of long-range transported air masses at remote sites and due to the episodic, or random nature of PCB sources at urban sites. The concentrations of individual congeners in precipitation were found to be influenced by atmospheric concentrations of PCBs, ambient temperature, precipitation volume and

  9. Absorption dynamics of organic chemical transport across trout gills as related to octanol-water partition coefficient

    International Nuclear Information System (INIS)

    McKim, J.; Schmieder, P.; Veith, G.

    1985-01-01

    An in vivo fish preparation was used that allowed a direct measure of the transport rates of 14 different organic chemicals across the gills of rainbow trout (Salmo gairdneri). The chemicals, all C14 labeled, were selected from five classes, encompassing a range of octanol-water partition coefficient (log P) values, from 0.23 (ethyl formate) to 7.5 (mirex). The uptake efficiency (extraction efficiency) of each chemical was determined by monitoring the inspired and expired water of trout exposed to each chemical over an exposure period of 1 to 6 hr. The mean gill extraction efficiency for all chemicals tested varied from a low of 7% to a high of 60%, extracted in a single pall of the chemical across the gills. The extraction efficiency of chemicals with log P or 1 or less were low and showed no relationship to log P. These low extraction efficiencies seen at log P of 1 and below with molecular weights below 100 were indicative of aqueous pore transport. The mean extraction efficiency for chemicals with log P values of 1 to 3 seemed to vary directly with log P, to a maximum of slightly greater than 60%, suggesting that uptake was controlled by the lipid membrane. The mean extraction efficiency for chemicals with log P of 3 to 6 was independent of log P and remained at 60%, which suggested that gill uptake was controlled by aqueous diffusion rates rather than gill membrane permeability. The mean extraction efficiency with mirex (log P . 7.5) decreased to 20%

  10. Louisiana SIP: LAC 33:III Ch 2147. Limiting Volatile Organic Compound (VOC) Emissions from Reactor Processes and Distillation Operations in Synthetic Organic Chemical manufacturing Industry (SOCMI); SIP effective 2011-08-04 (LAd34) to 2017-09-27

    Science.gov (United States)

    Louisiana SIP: LAC 33:III Ch 2147. Limiting Volatile Organic Compound (VOC) Emissions from Reactor Processes and Distillation Operations in Synthetic Organic Chemical manufacturing Industry (SOCMI); SIP effective 2011-08-04 (LAd34) to 2017-09-27

  11. Emissions of Volatile Organic Compounds (VOCs) from Animal Husbandry: Chemical Compositions, Separation of Sources and Animal Types

    Science.gov (United States)

    Yuan, B.; Coggon, M.; Koss, A.; Warneke, C.; Eilerman, S. J.; Neuman, J. A.; Peischl, J.; Aikin, K. C.; Ryerson, T. B.; De Gouw, J. A.

    2016-12-01

    Concentrated animal feeding operations (CAFOs) are important sources of volatile organic compounds (VOCs) in the atmosphere. We used a hydronium ion time-of-flight chemical ionization mass spectrometer (H3O+ ToF-CIMS) to measure VOC emissions from CAFOs in the Northern Front Range of Colorado during an aircraft campaign (SONGNEX) for regional contributions and from a mobile laboratory sampling for chemical characterizations of individual animal feedlots. The main VOCs emitted from CAFOs include carboxylic acids, alcohols, carbonyls, phenolic species, sulfur- and nitrogen-containing species. Alcohols and carboxylic acids dominate VOC concentrations. Sulfur-containing and phenolic species become more important in terms of odor activity values and NO3 reactivity, respectively. The high time-resolution mobile measurements allow the separation of the sources of VOCs from different parts of the operations occurring within the facilities. We show that the increase of ethanol concentrations were primarily associated with feed storage and handling. We apply a multivariate regression analysis using NH3 and ethanol as tracers to attribute the relative importance of animal-related emissions (animal exhalation and waste) and feed-related emissions (feed storage and handling) for different VOC species. Feed storage and handling contribute significantly to emissions of alcohols, carbonyls and carboxylic acids. Phenolic species and nitrogen-containing species are predominantly associated with animals and their waste. VOC ratios can be potentially used as indicators for the separation of emissions from dairy and beef cattle from the regional aircraft measurements.

  12. Application of Solid Phase Microextraction Coupled with Gas Chromatography/Mass Spectrometry as a Rapid Method for Field Sampling and Analysis of Chemical Warfare Agents and Toxic Industrial Chemicals

    National Research Council Canada - National Science Library

    Hook, Gary L

    2003-01-01

    ..., is: What chemicals are present? In order to answer this question rapidly, there is increasing demand for field analysis of volatile and semi-volatile organic compounds with instrumentation that provides definitive identification...

  13. Oxidation of volatile organic vapours in air by solid potassium permanganate

    NARCIS (Netherlands)

    Mahmoodlu, M.G.; Hartog, N.; Hassanizadeh, S.M.; Raoof, A.

    2013-01-01

    Volatile organic compounds (VOCs) may frequently contaminate groundwater and pose threat to human health when migrating into the unsaturated soil zone and upward to the indoor air. The kinetic of chemical oxidation has been investigated widely for dissolved VOCs in the saturated zone. But, so far

  14. The scent of colorectal cancer: detection by volatile organic compound analysis

    NARCIS (Netherlands)

    de Boer, Nanne K. H.; de Meij, Tim G. J.; Oort, Frank A.; Ben Larbi, Ilhame; Mulder, Chris J. J.; van Bodegraven, Adriaan A.; van der Schee, Marc P.

    2014-01-01

    The overall metabolic state of an individual is reflected by emitted volatile organic compounds (VOCs), which are gaseous carbon-based chemicals. In this review, we will describe the potential of VOCs as fully noninvasive markers for the detection of neoplastic lesions of the colon. VOCs are

  15. Volatiles of Helichrysum italicum (Roth) G. Don from Croatia.

    Science.gov (United States)

    Zeljković, Sanja Ćavar; Šolić, Marija Edita; Maksimović, Milka

    2015-01-01

    Helichrysum italicum (Roth) G. Don is a flowering plant of the family Asteraceae. It is rich in oil that is used for different medicinal purposes and in fragrance industry. Volatile profile of four populations of H. italicum, collected from natural habitat in Dalmatia (Croatia), was analysed by capillary GC-MS. Sample from BraČ Island had α-trans-bergamotene (10.2%) and β-acoradiene (10.1%) as the majors, whereas sample collected on Biokovo Mt. was rich in neryl acetate (8.1%). β-Acoradiene was also the main constituent of sample collected near Tijarica, whereas rosifoliol (8.5%) was the most abundant constituent in sample collected near Makarska. Presented results show the influence of environmental conditions on chemical differentiation of the volatiles of H. italicum from Croatia.

  16. Sensitivity of transatlantic dust transport to chemical aging and related atmospheric processes

    KAUST Repository

    Abdelkader, Mohamed

    2017-03-20

    We present a sensitivity study on transatlantic dust transport, a process which has many implications for the atmosphere, the ocean and the climate. We investigate the impact of key processes that control the dust outflow, i.e., the emission flux, convection schemes and the chemical aging of mineral dust, by using the EMAC model following Abdelkader et al. (2015). To characterize the dust outflow over the Atlantic Ocean, we distinguish two geographic zones: (i) dust interactions within the Intertropical Convergence Zone (ITCZ), or the dust–ITCZ interaction zone (DIZ), and (ii) the adjacent dust transport over the Atlantic Ocean (DTA) zone. In the latter zone, the dust loading shows a steep and linear gradient westward over the Atlantic Ocean since particle sedimentation is the dominant removal process, whereas in the DIZ zone aerosol–cloud interactions, wet deposition and scavenging processes determine the extent of the dust outflow. Generally, the EMAC simulated dust compares well with CALIPSO observations; however, our reference model configuration tends to overestimate the dust extinction at a lower elevation and underestimates it at a higher elevation. The aerosol optical depth (AOD) over the Caribbean responds to the dust emission flux only when the emitted dust mass is significantly increased over the source region in Africa by a factor of 10. These findings point to the dominant role of dust removal (especially wet deposition) in transatlantic dust transport. Experiments with different convection schemes have indeed revealed that the transatlantic dust transport is more sensitive to the convection scheme than to the dust emission flux parameterization. To study the impact of dust chemical aging, we focus on a major dust outflow in July 2009. We use the calcium cation as a proxy for the overall chemical reactive dust fraction and consider the uptake of major inorganic acids (i.e., H2SO4, HNO3 and HCl) and their anions, i.e., sulfate (SO42−), bisulfate

  17. Volatile Constituents of Three Myrsine L. Species from Brazil

    Directory of Open Access Journals (Sweden)

    Arthur L. Corrêa

    2017-01-01

    Full Text Available The chemical compositions of the essential oils obtained by hydrodistillation from the aerial parts of Myrsine rubra, Myrsine gardneriana and Myrsine parvifolia and the fruits of Myrsine parvifolia were elucidated by a combination of GC and GC-MS analyses. The main constituents of the native M. parvifolia were caryophyllene oxide (14.4%, β-caryophyllene (12.6% and γ-Muurolene (7.9% of the leaves oil and β-caryophyllene (11.7%, δ-Cadinene (7.1% of the fruit oil. The volatile oil of the endemic M. rubra leaves was dominated by β-caryophyllene (17.2%, γ-Muurolene (11.1%, Germacrene B (10.0%. The essential oil of the native M. gardneriana leaves was characterized by β-caryophyllene (18.0%, γ-Muurolene (8.4%. These three Myrsine species are similar in the dominance of sesquiterpenes. By contrast, monoterpenes were found only in the volatile oil from the fruits of M. parvifolia. To the best of our knowledge, this study is the first report on the volatile constituents of M. rubra, M. gardneriana, M. parvifolia.

  18. Acid and Volatiles of Commercially-Available Lambic Beers

    Directory of Open Access Journals (Sweden)

    Katherine Thompson Witrick

    2017-10-01

    Full Text Available Lambic beer is the oldest style of beer still being produced in the Western world using spontaneous fermentation. Gueuze is a style of lambic beer prepared by mixing young (one year and older (two to three years beers. Little is known about the volatiles and semi-volatiles found in commercial samples of gueuze lambic beers. SPME was used to extract the volatiles from nine different brands of lambic beer. GC-MS was used for the separation and identification of the compounds extracted with SPME. The pH and color were measured using standard procedures. A total of 50 compounds were identified in the nine brands. Seventeen of the 50 compounds identified have been previously identified. The compounds identified included a number of different chemical groups such as acids, alcohols, phenols, ketones, aldehydes, and esters. Ethyl acetate, 4-ethylphenol, and 4-ethylguaiacol are known by-products of the yeast, Brettanomyces, which is normally a spoilage microorganism in beer and wine, but important for the flavor characteristics of lambic beer. There were no differences in pH, but there were differences in color between the beer samples.

  19. Anisotropic diffusion of volatile pollutants at air-water interface

    Directory of Open Access Journals (Sweden)

    Li-ping Chen

    2013-04-01

    Full Text Available The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3 release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.

  20. Modelling multicomponent solute transport in structured soils

    NARCIS (Netherlands)

    Beinum, van G.W.

    2007-01-01

    The mobility of contaminants in soil is an important factor in determining their ability to spread into the wider environment. For non-volatile substances, transport within the soil is generally dominated by transport of dissolved fractions in the soil water phase, via either diffusion or

  1. The development of a volatile organics concentrator for use in monitoring Space Station water quality

    Science.gov (United States)

    Bodek, Itamar; Ehntholt, Daniel J.; Stolki, Thomas J.; Valentine, James R.; Trabanino, Rudy; Webb, Johanna V.; Sauer, Richard L.

    1991-01-01

    A breadboard concept of a volatile organics concentrator (VOC) is manufactured and tested for optimized water-quality analysis in a space environment. The VOC system is attached to a gas chromatograph/mass spectrometer to analyze the volatile chemicals relevant to the operation of Space Station Freedom. The preliminary tests include: (1) comparisons with analyses based on direct on-column injections of standards; (2) analyses of iodinated volatile organics; (3) comparisons of nitrogen vs helium as the chromatography carrier gas; and (4) measurements of collection efficiency. The VOC can analyze EPA method-624 analytes at comparable detection using flame-ionization detection and can analyze volatile iodinated compounds. The breadboard has good reproducibility and can use nitrogen as a carrier gas; good results are noted for the collection and concentration levels and for water removal.

  2. Chemical Cues in Tritrophic Interaction on Biocontrol of Insect Pest

    Directory of Open Access Journals (Sweden)

    Nurindah Nurindah

    2017-03-01

    Full Text Available Tritrophic interaction among host plant-herbivore-parasitoid involves chemical cues. The infested plant by herbivores has been reacted to produce volatiles which is a cue used by the herbivore parasitoids for host location. These volatiles can be developed to enhance natural control of insect pests, especially by optimally use of parasitoids. Egg parasitoids are biocontrol agents that play an important role in natural control of herbivores. This research used a tritrophic interaction model of rice plant-brown plant hopper (BPH-egg parasitoid of BPH. Research on analysis of chemical cues in tritrophic interactions was aimed to identify volatiles that are used by the parasitoid to find its host. The volatiles that effectively affect the parasitoid orientation behavior could be developed into a parasitoid attractant. Extraction of volatiles as the egg parasitoid cues was done using soxhlet, and identification of the volatiles using Gas Chromatography-Mass Spectrometry (GC-MS. Bioassay of the volatiles on the BPH parasitoid orientation behavior was performed using Y-tube olfactometry. The volatiles that are used for host location cues by the parasitoid affect the parasitoid orientation behavior by showing the preference of the parasitoid females to the odor of volatile. Volatiles extracted from BPH-egg-infested plants and uninfested plants contain alcohol, hydrocarbon, and ester compounds. Based on the difference of the compound composition of both extractions, five compounds of long-chain hydrocarbon, both branched and unsaturated compounds are the main volatile components which caused positive orientation behavior of the egg parasitoid. The egg parasitoids showed positive behavior orientation toward the volatiles extracted from BPH-egg-infested plant. Those hydrocarbon compounds are potential materials to be developed into bio attractants of BPH egg parasitoid.

  3. Identification of volatile and semivolatile compounds in chemical ionization GC-MS using a mass-to-structure (MTS) Search Engine with integral isotope pattern ranking.

    Science.gov (United States)

    Liao, Wenta; Draper, William M

    2013-02-21

    The mass-to-structure or MTS Search Engine is an Access 2010 database containing theoretical molecular mass information for 19,438 compounds assembled from common sources such as the Merck Index, pesticide and pharmaceutical compilations, and chemical catalogues. This database, which contains no experimental mass spectral data, was developed as an aid to identification of compounds in atmospheric pressure ionization (API)-LC-MS. This paper describes a powerful upgrade to this database, a fully integrated utility for filtering or ranking candidates based on isotope ratios and patterns. The new MTS Search Engine is applied here to the identification of volatile and semivolatile compounds including pesticides, nitrosoamines and other pollutants. Methane and isobutane chemical ionization (CI) GC-MS spectra were obtained from unit mass resolution mass spectrometers to determine MH(+) masses and isotope ratios. Isotopes were measured accurately with errors of Search Engine and details performance testing with over 50 model compounds.

  4. Chemical Composition, Antimicrobial and Antioxidant Activities of the Flower Volatile Oils of Fagopyrum esculentum, Fagopyrum tataricum and Fagopyrum Cymosum

    Directory of Open Access Journals (Sweden)

    Jianglin Zhao

    2018-01-01

    Full Text Available The purpose of this study was to investigate the chemical composition and biological activity of the volatile oils (VOs from the flowers of three buckwheat species, Fagopyrum esculentum, Fagopyrum tataricum and Fagopyrum cymosum. The VOs were obtained from the fresh buckwheat flowers by hydrodistillation, and were analyzed for their chemical composition by gas chromatography-mass spectrometry (GC-MS. Nonanoic acid (7.58%, (E-3-hexen-1-ol (6.52%, and benzothiazole (5.08% were the major constituents among the 28 identified components which accounted for 92.89% of the total oil of F. esculentum. 2-Pentadecanone (18.61%, eugenol (17.18%, 1,2-benzenedicarboxylic acid, bis(2-methylpropyl ester (13.19%, and (E,E-farnesylacetone (7.15% were the major compounds among the 14 identified components which accounted for 88.48% of the total oil of F. tataricum. Eugenol (12.22%, (E-3-hexen-1-yl acetate (8.03%, linalool oxide (7.47%, 1-hexanol (7.07%, and benzothiazole (6.72% were the main compounds of the 20 identified components which accounted for 90.23% of the total oil of F. cymosum. The three VOs were screened to have broad spectrum antibacterial activity with minimum inhibitory concentration (MIC values ranged from 100.0 μg/mL to 800.0 μg/mL against the tested bacteria, and their median inhibitory concentration (IC50 values were from 68.32 μg/mL to 452.32 μg/mL. Xanthomonas vesicatoria was the most sensitive bacterium. Moreover, the flower VOs of F. esculentum, F. tataricum and F. cymosum also exhibited noteworthy antioxidant capacity with the IC50 value of 354.15 μg/mL, 210.63 μg/mL, and 264.92 μg/mL for the 1,1-diphenyl-2-picrylhydrazyl (DPPH free radical scavenging assay, and the value of 242.06 μg/mL, 184.13 μg/mL, and 206.11 μg/mL respectively for the β-carotene-linoleic bleaching test. These results suggested the volatile oils of buckwheat flowers could be potential resource of natural antimicrobial and antioxidant agents.

  5. Propolis volatiles characterisation from acaricide-treated and -untreated beehives maintained at Algarve (Portugal).

    Science.gov (United States)

    Miguel, Maria G; Nunes, Susana; Cruz, Cláudia; Duarte, João; Antunes, Maria D; Cavaco, Ana M; Mendes, Marta D; Lima, A Sofia; Pedro, Luis G; Barroso, José G; Figueiredo, A Cristina

    2013-04-01

    The variability of the volatile profile of 70 propolis samples from acaricide-treated and -untreated beehives maintained at Algarve (Portugal) was evaluated. Propolis samples were collected in three regions of Algarve at three different periods. Cluster analysis based on the propolis volatiles' chemical composition defined two main clusters, not related to the time of year, collection site, altitude, temperature or humidity ranges, and was based mainly on the relative amounts of viridiflorol, n-tricosane and n-nonadecane for cluster I. Cluster II was mainly characterised by the high thymol content, followed by viridiflorol, n-tricosane and n-nonadecane. The presence of higher thymol levels in propolis samples from cluster II may reflect the long use of an acaricide with thymol as main active ingredient. All samples showed an intense rock-rose aroma supported by the presence of characteristic Cistus and labdanum oil volatile components. Given the nowadays frequent propolis household use, volatiles thorough characterisation may assist in its quality assessment.

  6. Normalization for Implied Volatility

    OpenAIRE

    Fukasawa, Masaaki

    2010-01-01

    We study specific nonlinear transformations of the Black-Scholes implied volatility to show remarkable properties of the volatility surface. Model-free bounds on the implied volatility skew are given. Pricing formulas for the European options which are written in terms of the implied volatility are given. In particular, we prove elegant formulas for the fair strikes of the variance swap and the gamma swap.

  7. Money growth volatility and the demand for money in Germany: Friedman's volatility hypothesis revisited

    OpenAIRE

    Brüggemann, Imke; Nautz, Dieter

    1997-01-01

    Recently, the Bundesbank claimed that monetary targeting has become considerably more diffcult by the increased volatility of short-term money growth. The present paper investigates the impact of German money growth volatility on income velocity and money demand in view of Friedman's money growth volatility hypothesis. Granger-causality tests provide some evidence for a velocity-volatility linkage. However the estimation of volatility-augmented money demand functions reveals that - in contras...

  8. Enhancement of Bacterial Transport in Aerobic and Anaerobic Environments: Assessing the Effect of Metal Oxide Chemical Heterogeneities

    International Nuclear Information System (INIS)

    T.C. Onstott

    2005-01-01

    The goal of our research was to understand the fundamental processes that control microbial transport in physically and chemically heterogeneous aquifers and from this enhanced understanding determine the requirements for successful, field-scale delivery of microorganisms to metal contaminated subsurface sites. Our specific research goals were to determine; (1) the circumstances under which the preferential adsorption of bacteria to Fe, Mn, and Al oxyhydroxides influences field-scale bacterial transport, (2) the extent to which the adhesion properties of bacterial cells affect field-scale bacterial transport, (3) whether microbial Fe(III) reduction can enhance field-scale transport of Fe reducing bacteria (IRB) and other microorganisms and (4) the effect of field-scale physical and chemical heterogeneity on all three processes. Some of the spin-offs from this basic research that can improve biostimulation and bioaugmentation remediation efforts at contaminated DOE sites have included; (1) new bacterial tracking tools for viable bacteria; (2) an integrated protocol which combines subsurface characterization, laboratory-scale experimentation, and scale-up techniques to accurately predict field-scale bacterial transport; and (3) innovative and inexpensive field equipment and methods that can be employed to enhance Fe(III) reduction and microbial transport and to target microbial deposition under both aerobic and anaerobic conditions

  9. Characterization of the volatile profiles of beer using headspace solid-phase microextraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Rossi, Serena; Sileoni, Valeria; Perretti, Giuseppe; Marconi, Ombretta

    2014-03-30

    The objective of this study was a multivariate characterization of the volatile profile of beers. Such a characterization is timely considering the increasing worldwide consumption of beer, the continuous growth of microbreweries and the importance of volatile compounds to beer flavour. A method employing solid-phase microextraction and gas chromatography-mass spectrometry (SPME-GC-MS) was optimized and then applied to a sample set of 36 industrial and craft beers of various styles and fermentation types. The volatile profiles of different beer styles is described, with particular attention paid to the volatile compounds characteristic of a spontaneously fermented lambic raspberry framboise beer. Furthermore, it was also possible to identify which specific volatile compounds are principally responsible for the differences in the volatile profiles of top- and bottom-fermented beers. Moreover, a volatile fingerprint of the craft top-fermented Italian beers was defined, as they show a very similar volatile profile. Finally, the volatile compounds that are characteristic of the bock-style beers are described. The SPME-GC-MS analytical method optimized in this study is suitable for characterizing the volatile fingerprint of different beers, especially on the basis of the kind of fermentation (top, bottom or spontaneous), the method of production and the style of the beer. © 2013 Society of Chemical Industry.

  10. Chemical and volatile composition of jujube wines fermented by Saccharomyces cerevisiae with and without pulp contact and protease treatment

    Directory of Open Access Journals (Sweden)

    Wenye ZHANG

    2016-01-01

    Full Text Available Abstract This study evaluated the chemical and volatile composition of jujube wines fermented with Saccharomyces cerevisiae A1.25 with and without pulp contact and protease treatment during fermentation. Yeast cell population, total reducing sugar and methanol contents had significant differences between nonextracted and extracted wine. The nonextracted wines had significantly higher concentrations of ethyl 9-hexadecenoate, ethyl palmitate and ethyl oleate than the extracted wines. Pulp contact also could enhance phenylethyl alcohol, furfuryl alcohol, ethyl palmitat and ethyl oleate. Furthermore, protease treatment can accelerate the release of fusel oils. The first principal component separated the wine from the extracted juice without protease from other samples based on the higher concentrations of medium-chain fatty acids and medium-chain ethyl esters. Sensory evaluation showed pulp contact and protease could improve the intensity and complexity of wine aroma due to the increase of the assimilable nitrogen.

  11. Louisiana SIP: LAC 33:III Ch 21 Subchap J, 2147--Limiting Volatile Organic Compound (VOC) Emissions from Reactor Processes and Distillation Operations in Synthetic Organic Chemical manufacturing Industry (SOCMI); SIP effective 1998-02-02 (LAc74) to more..

    Science.gov (United States)

    Louisiana SIP: LAC 33:III Ch 21 Subchap J, 2147--Limiting Volatile Organic Compound (VOC) Emissions from Reactor Processes and Distillation Operations in Synthetic Organic Chemical manufacturing Industry (SOCMI); SIP effective 1998-02-02 (LAc74) more...

  12. Chasing volatility

    DEFF Research Database (Denmark)

    Caporin, Massimiliano; Rossi, Eduardo; Santucci de Magistris, Paolo

    The realized volatility of financial returns is characterized by persistence and occurrence of unpreditable large increments. To capture those features, we introduce the Multiplicative Error Model with jumps (MEM-J). When a jump component is included in the multiplicative specification, the condi......The realized volatility of financial returns is characterized by persistence and occurrence of unpreditable large increments. To capture those features, we introduce the Multiplicative Error Model with jumps (MEM-J). When a jump component is included in the multiplicative specification...... estimate alternative specifications of the model using a set of daily bipower measures for 7 stock indexes and 16 individual NYSE stocks. The estimates of the jump component confirm that the probability of jumps dramatically increases during the financial crisis. Compared to other realized volatility...... models, the introduction of the jump component provides a sensible improvement in the fit, as well as for in-sample and out-of-sample volatility tail forecasts....

  13. Volatile Organic Compound (VOC) measurements in the Pearl River Delta (PRD) region, China

    Science.gov (United States)

    Liu, Ying; Shao, Min; Lu, Sihua; Chang, Chih-Chung; Wang, Jia-Lin; Chen, Gao

    2008-03-01

    We measured levels of ambient volatile organic compounds (VOCs) at seven sites in the Pearl River Delta (PRD) region of China during the Air Quality Monitoring Campaign spanning 4 October to 3 November 2004. Two of the sites, Guangzhou (GZ) and Xinken (XK), were intensive sites at which we collected multiple daily canister samples. The observations reported here provide a look at the VOC distribution, speciation, and photochemical implications in the PRD region. Alkanes constituted the largest percentage (>40%) in mixing ratios of the quantified VOCs at six sites; the exception was one major industrial site that was dominated by aromatics (about 52%). Highly elevated VOC levels occurred at GZ during two pollution episodes; however, the chemical composition of VOCs did not exhibit noticeable changes during these episodes. We calculated the OH loss rate to estimate the chemical reactivity of all VOCs. Of the anthropogenic VOCs, alkenes played a predominant role in VOC reactivity at GZ, whereas the contributions of reactive aromatics were more important at XK. Our preliminary analysis of the VOC correlations suggests that the ambient VOCs at GZ came directly from local sources (i.e., automobiles); those at XK were influenced by both local emissions and transportation of air mass from upwind areas.

  14. Volatile Organic Compound (VOC measurements in the Pearl River Delta (PRD region, China

    Directory of Open Access Journals (Sweden)

    Chih-chung Chang

    2008-03-01

    Full Text Available We measured levels of ambient volatile organic compounds (VOCs at seven sites in the Pearl River Delta (PRD region of China during the Air Quality Monitoring Campaign spanning 4 October to 3 November 2004. Two of the sites, Guangzhou (GZ and Xinken (XK, were intensive sites at which we collected multiple daily canister samples. The observations reported here provide a look at the VOC distribution, speciation, and photochemical implications in the PRD region. Alkanes constituted the largest percentage (>40% in mixing ratios of the quantified VOCs at six sites; the exception was one major industrial site that was dominated by aromatics (about 52%. Highly elevated VOC levels occurred at GZ during two pollution episodes; however, the chemical composition of VOCs did not exhibit noticeable changes during these episodes. We calculated the OH loss rate to estimate the chemical reactivity of all VOCs. Of the anthropogenic VOCs, alkenes played a predominant role in VOC reactivity at GZ, whereas the contributions of reactive aromatics were more important at XK. Our preliminary analysis of the VOC correlations suggests that the ambient VOCs at GZ came directly from local sources (i.e., automobiles; those at XK were influenced by both local emissions and transportation of air mass from upwind areas.

  15. Hydrogeologic and chemical data for the O-Field area, Aberdeen Proving Ground, Maryland

    International Nuclear Information System (INIS)

    Nemoff, P.R.; Vroblesky, D.A.

    1989-01-01

    O-Field, located at the Edgewood area of Aberdeen Proving Ground, Maryland, was periodically used for disposal of munitions, waste chemicals, and chemical-warfare agents from World War II through the 1950's. This report includes various physical, geologic, chemical, and hydrologic data obtained from well-core, groundwater, surface water, and bottom-sediment sampling sites at and near the O-Field disposal area. The data are presented in tables and hydrographs. Three site-location maps are also included. Well-core data include lithologic logs for 11 well-cluster sites, grain-size distributions, various chemical characteristics, and confining unit characteristics. Groundwater data include groundwater chemistry, method blanks for volatile organic carbon, available data on volatile and base/neutral organics, and compilation of corresponding method blanks, chemical-warfare agents, explosive-related products, radionuclides, herbicides, and groundwater levels. Surface-water data include field-measured characteristics; concentrations of various inorganic constituents including arsenic; selected organic constituents with method blanks; detection limits of organics; and a compilation of information on corresponding acids, volatiles, and semivolatiles; and method blanks corresponding to acids, volatiles, and semivolatiles. A set of 15 water-level hydrographs for the period March 1986 through September 1987 also is included in the report. 3 refs., 18 figs., 24 tabs

  16. Volatile and Isotopic Imprints of Ancient Mars

    Science.gov (United States)

    Mahaffy, Paul R.; Conrad, Pamela G.

    2015-01-01

    The science investigations enabled by Curiosity rover's instruments focus on identifying and exploring the habitability of the Martian environment. Measurements of noble gases, organic and inorganic compounds, and the isotopes of light elements permit the study of the physical and chemical processes that have transformed Mars throughout its history. Samples of the atmosphere, volatiles released from soils, and rocks from the floor of Gale Crater have provided a wealth of new data and a window into conditions on ancient Mars.

  17. Evaluation of a three-dimensional chemical transport model (PMCAMx in the European domain during the EUCAARI May 2008 campaign

    Directory of Open Access Journals (Sweden)

    C. Fountoukis

    2011-10-01

    Full Text Available PMCAMx-2008, a detailed three-dimensional chemical transport model (CTM, was applied to Europe to simulate the mass concentration and chemical composition of particulate matter (PM during May 2008. The model includes a state-of-the-art organic aerosol module which is based on the volatility basis set framework treating both primary and secondary organic components as semivolatile and photochemically reactive. The model performance is evaluated against high time resolution aerosol mass spectrometer (AMS ground and airborne measurements. Overall, organic aerosol is predicted to account for 32% of total PM1 at ground level during May 2008, followed by sulfate (30%, crustal material and sea-salt (14%, ammonium (13%, nitrate (7%, and elemental carbon (4%. The model predicts that fresh primary OA (POA is a small contributor to organic PM concentrations in Europe during late spring, and that oxygenated species (oxidized primary and biogenic secondary dominate the ambient OA. The Mediterranean region is the only area in Europe where sulfate concentrations are predicted to be much higher than the OA, while organic matter is predicted to be the dominant PM1 species in central and northern Europe. The comparison of the model predictions with the ground measurements in four measurement stations is encouraging. The model reproduces more than 94% of the daily averaged data and more than 87% of the hourly data within a factor of 2 for PM1 OA. The model tends to predict relatively flat diurnal profiles for PM1 OA in many areas, both rural and urban in agreement with the available measurements. The model performance against the high time resolution airborne measurements at multiple altitudes and locations is as good as its performance against the ground level hourly measurements. There is no evidence of missing sources of OA aloft over Europe during this period.

  18. Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors

    Science.gov (United States)

    Kehayias, Christopher E.; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

    2013-06-01

    Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

  19. Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors.

    Science.gov (United States)

    Kehayias, Christopher E; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

    2013-06-21

    Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

  20. Antenna-predominant and male-biased CSP19 of Sesamia inferens is able to bind the female sex pheromones and host plant volatiles.

    Science.gov (United States)

    Zhang, Ya-Nan; Ye, Zhan-Feng; Yang, Ke; Dong, Shuang-Lin

    2014-02-25

    Insect chemosensory proteins (CSPs) are proposed to capture and transport hydrophobic chemicals across the sensillum lymph to olfactory receptors (ORs), but this has not been clarified in moths. In this study, we built on our previously reported segment sequence work and cloned the full length CSP19 gene (SinfCSP19) from the antennae of Sesamia inferens by using rapid amplification of cDNA ends. Quantitative real time-PCR (qPCR) assays indicated that the gene was expressed in a unique profile, i.e. predominant in antennae and significantly higher in male than in female. To explore the function, recombinant SinfCSP19 was expressed in Escherichia coli cells and purified by Ni-ion affinity chromatography. Binding affinities of the recombinant SinfCSP19 with 39 plant volatiles, 3 sex pheromone components and 10 pheromone analogs were measured using fluorescent competitive binding assays. The results showed that 6 plant volatiles displayed high binding affinities to SinfCSP19 (Ki = 2.12-8.75 μM), and more interesting, the 3 sex pheromone components and analogs showed even higher binding to SinfCSP19 (Ki = 0.49-1.78 μM). Those results suggest that SinfCSP19 plays a role in reception of female sex pheromones of S. inferens and host plant volatiles. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Assimilation of stratospheric ozone in the chemical transport model STRATAQ

    Directory of Open Access Journals (Sweden)

    B. Grassi

    2004-09-01

    Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ2 and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

  2. Assimilation of stratospheric ozone in the chemical transport model STRATAQ

    Directory of Open Access Journals (Sweden)

    B. Grassi

    2004-09-01

    Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ2 and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

  3. Queen volatiles as a modulator of Tetragonisca angustula drone behavior.

    Science.gov (United States)

    Fierro, Macario M; Cruz-López, Leopoldo; Sánchez, Daniel; Villanueva-Gutiérrez, Rogel; Vandame, Remy

    2011-11-01

    Tetragonisca angustula mating occurs during the virgin queen nuptial flight, usually in the presence of a drone congregation area (DCA). The presence of virgin queen pheromone is considered the trigger for DCA establishment, although this has not been demonstrated experimentally. We established meliponaries, in different habitats, with T. angustula virgin queens during the main drone reproduction period. Eight DCAs were observed in urban areas, and all established outside or near colonies containing at least one virgin queen. The accumulation of drones in the DCAs occurred from 08:00 to 18:00 h and over 3-35 days. The number of drones in DCAs ranged from 60 to 2,000. In field trials, drones were attracted to virgin queens and also, unexpectedly, to physogastric queens. Volatiles collected from both virgin and physogastric queens elicited strong electoantennogram (EAG) responses from drones. Virgin and physogastric queen volatiles were qualitatively similar, but quantitatively different, in chemical composition. The queen's abdomen was the principal source of these compounds. Isopropyl hexanoate (IPH), the most abundant compound in virgin queen volatiles and one of the most abundant in physogastric queen volatiles, was identified as one of the compounds that elicited EAG responses and was demonstrated to attract drones in a field test.

  4. Survey and discussion of models applicable to the transport and fate thrust area of the Department of Energy Chemical and Biological Nonproliferation Program

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

  5. Mathematical Modelling of Supercritical CO2 Extraction of Volatile Oils from Aromatic Plants

    Czech Academy of Sciences Publication Activity Database

    Grosso, C.; Coelho, J.P.; Pessoa, F.L.P.; Fareleira, J.M.N.A.; Barroso, J.G.; Urieta, J.S.; Palavra, A.F.; Sovová, Helena

    2010-01-01

    Roč. 65, č. 11 (2010), s. 3579-3590 ISSN 0009-2509 Institutional research plan: CEZ:AV0Z40720504 Keywords : supercritical fluid extraction * modelling * volatile oils Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.379, year: 2010

  6. Nitrate radicals and biogenic volatile organic compounds ...

    Science.gov (United States)

    Oxidation of biogenic volatile organic compounds (BVOC) by the nitrate radical (NO3) represents one of the important interactions between anthropogenic emissions related to combustion and natural emissions from the biosphere. This interaction has been recognized for more than 3 decades, during which time a large body of research has emerged from laboratory, field, and modeling studies. NO3-BVOC reactions influence air quality, climate and visibility through regional and global budgets for reactive nitrogen (particularly organic nitrates), ozone, and organic aerosol. Despite its long history of research and the significance of this topic in atmospheric chemistry, a number of important uncertainties remain. These include an incomplete understanding of the rates, mechanisms, and organic aerosol yields for NO3-BVOC reactions, lack of constraints on the role of heterogeneous oxidative processes associated with the NO3 radical, the difficulty of characterizing the spatial distributions of BVOC and NO3 within the poorly mixed nocturnal atmosphere, and the challenge of constructing appropriate boundary layer schemes and non-photochemical mechanisms for use in state-of-the-art chemical transport and chemistry–climate models. This review is the result of a workshop of the same title held at the Georgia Institute of Technology in June 2015. The first half of the review summarizes the current literature on NO3-BVOC chemistry, with a particular focus on recent advances in

  7. Sorption and Transport of Pharmaceutical chemicals in Organic- and Mineral-rich Soils

    Science.gov (United States)

    Vulava, V. M.; Schwindaman, J.; Murphey, V.; Kuzma, S.; Cory, W.

    2011-12-01

    OC, again indicating that these PhACs preferentially partition into the soil OM. Such a correlation was absent for cetirizine. Breakthrough curves of PhACs measured in homogeneous packed soil columns indicated that PhAC transport was affected by chemical nonequilibrium processes depending on the soil and PhAC chemistry. The shape of the breakthrough curves indicated that there were two distinct sorption sites - OM and clay minerals - which influence nonequilibrium transport of these compounds. The retardation factor estimated using the distribution coefficient, Kd, measured from the sorption experiments was very similar to the measured value. While the sorption and transport data do not provide mechanistic information regarding the nature of PhAC interaction with chemical reactive components within geological materials, they do provide important information regarding potential fate of such compounds in the environment. The results also show the role that soil OM and mineral surfaces play in sequestering or transporting these chemicals. These insights have implications to the quality of the water resources in our communities.

  8. Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.

    Science.gov (United States)

    Vazquez-Landaverde, P A; Qian, M C; Torres, J A

    2007-09-01

    Volatile formation in milk subjected to pressure-assisted thermal processing (PATP) was investigated from a reaction kinetic analysis point of view to illustrate the advantages of this technology. The concentration of 27 volatiles of different chemical class in milk subjected to pressure, temperature, and time treatments was fitted to zero-, 1st-, and 2nd-order chemical reaction models. Temperature and pressure effects on rate constants were analyzed to obtain activation energy (E(a)) and activation volume (deltaV*) values. Hexanal, heptanal, octanal, nonanal, and decanal followed 1st-order kinetics with rate constants characterized by E(a) values decreasing with pressure reflecting negative deltaV* values. Formation of 2-methylpropanal, 2,3-butanedione, and hydrogen sulfide followed zero-order kinetics with rate constants increasing with temperature but with unclear pressure effects. E(a) values for 2-methylpropanal and 2,3-butanedione increased with pressure, that is, deltaV* > 0, whereas values for hydrogen sulfide remained constant, that is, deltaV* = 0. The concentration of all other volatiles, including methanethiol, remained unchanged in pressure-treated samples, suggesting large negative deltaV* values. The concentration of methyl ketones, including 2-pentanone, 2-hexanone, 2-heptanone, 2-octanone, 2-nonanone, 2-decanone, and 2-undecanone, was independent of pressure and pressure-holding time. PATP promoted the formation of few compounds, had no effect on some, and inhibited the formation of volatiles reported to be factors of the consumer rejection of "cooked" milk flavor. The kinetic behavior observed suggested that new reaction formation mechanisms were not likely involved in volatile formation in PATP milk. The application of the Le Chatelier principle frequently used to explain the high quality of pressure-treated foods, often with no supporting experimental evidence, was not necessary.

  9. Volatile composition and sensory profile of shiitake mushrooms as affected by drying method.

    Science.gov (United States)

    Politowicz, Joanna; Lech, Krzysztof; Lipan, Leontina; Figiel, Adam; Carbonell-Barrachina, Ángel A

    2018-03-01

    One of the best preservation method for long-term storage is drying. In this work, the influence of different drying methods on aroma and sensory profile of shiitake mushroom was evaluated. The drying methods tested were: convective drying (CD), freeze-drying (FD), vacuum-microwave drying (VMD), and a combination of convective pre-drying and vacuum-microwave finish-drying (CPD-VMFD). The volatile composition of fresh and dried shiitake mushrooms was analysed by SPME, GC-MS and GC-FID, and showed the presence of 71 volatile compounds, most of them present in all dried samples but with quantitative variation. The major volatile compounds in fresh shiitake were 1-octen-3-ol (20.2%), 2-octanone (20.7%), 1,2,4-trithiolane (9.8%), and 1,2,3,5,6-pentathiepane (8.2%). Drying of shiitake mushrooms caused significant losses of C8 compounds and cyclic sulfur compounds, such as 1,2,4-trithiolane (V31) and 1,2,4,5-tetrathiane (V57). Samples dried at CD 80 °C implied a relative short drying time (120 min), had the highest contents of total volatiles (1594 μg 100 g -1 ) and cyclic sulfur compounds (e.g. V57 126 μg 100 g -1 ), and the highest intensity of most of the key positive sensory attributes, such as inner colour (7.0), fresh shiitake flavour (6.7), and sponginess (6.2). The best dehydration methods, resulting in the highest total concentrations of volatile compounds and high intensity of key sensory attributes were FD (if vacuum and liquid nitrogen facilities are available) and CD at 80 °C (for companies with vacuum and liquid nitrogen facilities). © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  10. Reactive trace gas emissions from stressed plants: a poorly characterized major source of atmospheric volatiles

    Science.gov (United States)

    Niinemets, Ülo

    2017-04-01

    Vegetation constitutes the greatest source of reactive volatile organic compounds in the atmosphere. The current emission estimates primarily rely on constitutive emissions that are present only in some plant species. However, all plant species can be induced to emit reactive volatiles by different abiotic and biotic stresses, but the stress-dependent emissions have been largely neglected in emission measurements and models. This presentation provides an overview of systematic screening of stress-dependent volatile emissions from a broad range of structurally and physiologically divergent plant species from temperate to tropical ecosystems. Ozone, heat, drought and wounding stress were the abiotic stresses considered in the screening, while biotic stress included herbivory, chemical elicitors simulating herbivory and fungal infections. The data suggest that any moderate to severe stress leads to significant emissions of a rich blend of volatiles, including methanol, green leaf volatiles (the lipoxygenase pathway volatiles, dominated by C6 aldehydes, alcohols and derivatives), different mono- and sesquiterpenes and benzenoids. The release of volatiles occurs in stress severity-dependent manner, although the emission responses are often non-linear with more severe stresses resulting in disproportionately greater emissions. Stress volatile release is induced in both non-constitutive and constitutive volatile emitters, whereas the rate of constitutive volatile emissions in constitutive emitters is often reduced under environmental and biotic stresses. Given that plants in natural conditions often experience stress, this analysis suggests that global volatile emissions have been significantly underestimated. Furthermore, in globally changing hotter climates, the frequency and severity of both abiotic and biotic stresses is expected to increase. Thus, the stress-induced volatile emissions are predicted to play a dominant role in plant-atmosphere interactions in near

  11. Trichomes and chemical composition of the volatile oil of Trichogonia cinerea (Gardner R. M. King & H. Rob. (Eupatorieae, Asteraceae

    Directory of Open Access Journals (Sweden)

    YANNE S. FERNANDES

    2016-03-01

    Full Text Available Trichogonia cinerea is endemic to Brazil and occurs in areas of cerrado and campo rupestre. In this study, we characterized the glandular and non-glandular trichomes on the aerial parts of this species, determined the principal events in the development of the former, and identified the main constituents of the volatile oil produced in its aerial organs. Fully expanded leaves, internodes, florets, involucral bracts, and stem apices were used for the characterization of trichomes. Leaves, internodes, florets, and involucral bracts were examined by light microscopy and scanning electron microscopy, whereas stem apices were examined only by light microscopy. Branches in the reproductive phase were used for the extraction and determination of the composition of the volatile oil. The species has three types of glandular trichomes, biseriate vesicular, biseriate pedunculate, and multicellular uniseriate, which secrete volatile oils and phenolic compounds. The major components identified in the volatile oil were 3,5-muuroladiene (39.56% and butylated hydroxytoluene (13.07%.

  12. Trichomes and chemical composition of the volatile oil of Trichogonia cinerea (Gardner) R. M. King & H. Rob. (Eupatorieae, Asteraceae).

    Science.gov (United States)

    Fernandes, Yanne S; Trindade, Luma M P; Rezende, Maria Helena; Paula, José R; Gonçalves, Letícia A

    2016-03-01

    Trichogonia cinerea is endemic to Brazil and occurs in areas of cerrado and campo rupestre. In this study, we characterized the glandular and non-glandular trichomes on the aerial parts of this species, determined the principal events in the development of the former, and identified the main constituents of the volatile oil produced in its aerial organs. Fully expanded leaves, internodes, florets, involucral bracts, and stem apices were used for the characterization of trichomes. Leaves, internodes, florets, and involucral bracts were examined by light microscopy and scanning electron microscopy, whereas stem apices were examined only by light microscopy. Branches in the reproductive phase were used for the extraction and determination of the composition of the volatile oil. The species has three types of glandular trichomes, biseriate vesicular, biseriate pedunculate, and multicellular uniseriate, which secrete volatile oils and phenolic compounds. The major components identified in the volatile oil were 3,5-muuroladiene (39.56%) and butylated hydroxytoluene (13.07%).

  13. Volatility in Equilibrium

    DEFF Research Database (Denmark)

    Bollerslev, Tim; Sizova, Natalia; Tauchen, George

    Stock market volatility clusters in time, carries a risk premium, is fractionally inte- grated, and exhibits asymmetric leverage effects relative to returns. This paper develops a first internally consistent equilibrium based explanation for these longstanding empirical facts. The model is cast i......, and the dynamic cross-correlations of the volatility measures with the returns calculated from actual high-frequency intra-day data on the S&P 500 aggregate market and VIX volatility indexes....

  14. American options under stochastic volatility

    NARCIS (Netherlands)

    Chockalingam, A.; Muthuraman, K.

    2011-01-01

    The problem of pricing an American option written on an underlying asset with constant price volatility has been studied extensively in literature. Real-world data, however, demonstrate that volatility is not constant, and stochastic volatility models are used to account for dynamic volatility

  15. Evaluation of cloud convection and tracer transport in a three-dimensional chemical transport model

    Directory of Open Access Journals (Sweden)

    W. Feng

    2011-06-01

    Full Text Available We investigate the performance of cloud convection and tracer transport in a global off-line 3-D chemical transport model. Various model simulations are performed using different meteorological (reanalyses (ERA-40, ECMWF operational and ECMWF Interim to diagnose the updraft mass flux, convective precipitation and cloud top height.

    The diagnosed upward mass flux distribution from TOMCAT agrees quite well with the ECMWF reanalysis data (ERA-40 and ERA-Interim below 200 hPa. Inclusion of midlevel convection improves the agreement at mid-high latitudes. However, the reanalyses show strong convective transport up to 100 hPa, well into the tropical tropopause layer (TTL, which is not captured by TOMCAT. Similarly, the model captures the spatial and seasonal variation of convective cloud top height although the mean modelled value is about 2 km lower than observed.

    The ERA-Interim reanalyses have smaller archived upward convective mass fluxes than ERA-40, and smaller convective precipitation, which is in better agreement with satellite-based data. TOMCAT captures these relative differences when diagnosing convection from the large-scale fields. The model also shows differences in diagnosed convection with the version of the operational analyses used, which cautions against using results of the model from one specific time period as a general evaluation.

    We have tested the effect of resolution on the diagnosed modelled convection with simulations ranging from 5.6° × 5.6° to 1° × 1°. Overall, in the off-line model, the higher model resolution gives stronger vertical tracer transport, however, it does not make a large change to the diagnosed convective updraft mass flux (i.e., the model results using the convection scheme fail to capture the strong convection transport up to 100 hPa as seen in the archived convective mass fluxes. Similarly, the resolution of the forcing winds in the higher resolution CTM does not make a

  16. Contribution of volatiles to the antifungal effect of Lactobacillus paracasei in defined medium and yogurt.

    Science.gov (United States)

    Aunsbjerg, S D; Honoré, A H; Marcussen, J; Ebrahimi, P; Vogensen, F K; Benfeldt, C; Skov, T; Knøchel, S

    2015-02-02

    Lactic acid bacteria with antifungal properties can be used to control spoilage of food and feed. Previously, most of the identified metabolites have been isolated from cell-free fermentate of lactic acid bacteria with methods suboptimal for detecting possible contribution from volatiles to the antifungal activity. The role of volatile compounds in the antifungal activity of Lactobacillus paracasei DGCC 2132 in a chemically defined interaction medium (CDIM) and yogurt was therefore investigated with a sampling technique minimizing volatile loss. Diacetyl was identified as the major volatile produced by L. paracasei DGCC 2132 in CDIM. When the strain was added to a yogurt medium diacetyl as well as other volatiles also increased but the metabolome was more complex. Removal of L. paracasei DGCC 2132 cells from CDIM fermentate resulted in loss of both volatiles, including diacetyl, and the antifungal activity towards two strains of Penicillium spp. When adding diacetyl to CDIM or yogurt without L. paracasei DGCC 2132, marked inhibition was observed. Besides diacetyl, the antifungal properties of acetoin were examined, but no antifungal activity was observed. Overall, the results demonstrate the contribution of diacetyl in the antifungal effect of L. paracasei DGCC 2132 and indicate that the importance of volatiles may have been previously underestimated. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Chemical Engineering Division fuel cycle programs. Quarterly progress report, April-June 1979. [Pyrochemical/dry processing; waste encapsulation in metal; transport in geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Steindler, M.J.; Ader, M.; Barletta, R.E.

    1980-09-01

    For pyrochemical and dry processing materials development included exposure to molten metal and salt of Mo-0.5% Ti-0.07% Ti-0.01% C, Mo-30% W, SiC, Si/sub 2/ON/sub 2/, ZrB/sub 2/-SiC, MgAl/sub 2/O/sub 4/, Al/sub 2/O/sub 3/, AlN, HfB/sub 2/, Y/sub 2/O/sub 3/, BeO, Si/sub 3/N/sub 4/, nickel nitrate-infiltrated W, W-coated Mo, and W-metallized alumina-yttria. Work on Th-U salt transport processing included solubility of Th in liquid Cd, defining the Cd-Th and Cd-Mg-Th phase diagrams, ThO/sub 2/ reduction experiments, and electrolysis of CaO in molten salt. Work on pyrochemical processes and associated hardware for coprocessing U and Pu in spent FBR fuels included a second-generation computer model of the transport process, turntable transport process design, work on the U-Cu-Mg system, and U and Pu distribution coefficients between molten salt and metal. Refractory metal vessels are being service-life tested. The chloride volatility processing of Th-based fuel was evaluated for its proliferation resistance, and a preliminary ternary phase diagram for the Zn-U-Pu system was computed. Material characterization and process analysis were conducted on the Exportable Pyrochemical process (Pyro-Civex process). Literature data on oxidation of fissile metals to oxides were reviewed. Work was done on chemical bases for the reprocessing of actinide oxides in molten salts. Flowsheets are being developed for the processing of fuel in molten tin. Work on encapsulation of solidified radioactive waste in metal matrix included studies of leach rate of crystalline waste materials and of the impact resistance of metal-matrix waste forms. In work on the transport properties of nuclear waste in geologic media, adsorption of Sr on oolitic limestone was studied, as well as the migration of Cs in basalt. Fitting of data on the adsorption of iodate by hematite to a mathematical model was attempted.

  18. Evaluation of the volatile profile of Tuber liyuanum by HS-SPME with GC-MS.

    Science.gov (United States)

    Liu, Changjiao; Li, Yu

    2017-04-01

    The volatile components of Tuber liyuanum were determined by HS-SPME with GC-MS for the first time. The effects of different fibre coating, extraction time, extraction temperature and sample amount were studied to get optimal extraction conditions. The optimal conditions were SPME fibre of Carboxen/PDMS, extraction time of 40 min, extraction temperature of 80 °C, sample amount of 2 g. Under these conditions 57 compounds in volatile of T. liyuanum were detected with a resemblance percentage above 80%. Aldehydes and aromatics were the main chemical families identified. The contribution of 3-Octanone(11.67%), phenylethyl alcohol (10.60%), isopentana (9.29%) and methylbutana (8.06%) for the total volatile profile were more significant in T. liyuanum than other compounds.

  19. Cytotoxicity of Thirdhand Smoke and Identification of Acrolein as a Volatile Thirdhand Smoke Chemical That Inhibits Cell Proliferation.

    Science.gov (United States)

    Bahl, Vasundhra; Weng, Nikki J-H; Schick, Suzaynn F; Sleiman, Mohamad; Whitehead, Jacklyn; Ibarra, Allison; Talbot, Prue

    2016-03-01

    Thirdhand smoke (THS) is a mixture of chemicals that remain on indoor surfaces after smoking has ceased. These chemicals can be inhaled, ingested, or absorbed dermally, and thus could impact human health. We evaluated the cytotoxicity and mode of action of fresh and aged THS, the toxicity of volatile organic chemicals (VOCs) in THS, and the molecular targets of acrolein, a VOC in THS. Experiments were done using mouse neural stem cells (mNSC), human pulmonary fibroblasts (hPF), and lung A549 epithelial cells. THS-exposed cotton cloth was extracted in Dulbecco's Eagle Medium and caused cytotoxicity in the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. THS extracts induced blebbing, immotility, vacuolization, cell fragmentation, severing of microfilaments and depolymerization of microtubules in mNSC. Cytotoxicity was inversely related to headspace volume in the extraction container and was lost upon aging, suggesting that VOCs in THS were cytotoxic. Phenol, 2',5'-dimethyl furan and acrolein were identified as the most cytotoxic VOCs in THS, and in combination, their cytotoxicity increased. Acrolein inhibited proliferation of mNSC and hPF and altered expression of cell cycle regulatory genes. Twenty-four hours of treatment with acrolein decreased expression of transcription factor Dp-1, a factor needed for the G1 to S transition in the cell cycle. At 48 h, WEE1 expression increased, while ANACP1 expression decreased consistent with blocking entry into and completion of the M phase of the cell cycle. This study identified acrolein as a highly cytotoxic VOC in THS which killed cells at high doses and inhibited cell proliferation at low doses. © The Author 2015. Published by Oxford University Press on behalf of the Society of Toxicology. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  20. Caryolan-1-ol, an antifungal volatile produced by Streptomyces spp., inhibits the endomembrane system of fungi.

    Science.gov (United States)

    Cho, Gyeongjun; Kim, Junheon; Park, Chung Gyoo; Nislow, Corey; Weller, David M; Kwak, Youn-Sig

    2017-07-01

    Streptomyces spp. have the ability to produce a wide variety of secondary metabolites that interact with the environment. This study aimed to discover antifungal volatiles from the genus Streptomyces and to determine the mechanisms of inhibition. Volatiles identified from Streptomyces spp. included three major terpenes, geosmin, caryolan-1-ol and an unknown sesquiterpene. antiSMASH and KEGG predicted that the volatile terpene synthase gene clusters occur in the Streptomyces genome. Growth inhibition was observed when fungi were exposed to the volatiles. Biological activity of caryolan-1-ol has previously not been investigated. Fungal growth was inhibited in a dose-dependent manner by a mixture of the main volatiles, caryolan-1-ol and the unknown sesquiterpene, from Streptomyces sp. S4-7. Furthermore, synthesized caryolan-1-ol showed similar antifungal activity. Results of chemical-genomics profiling assays showed that caryolan-1-ol affected the endomembrane system by disrupting sphingolipid synthesis and normal vesicle trafficking in the fungi. © 2017 The Authors.

  1. Vadose Zone Fate and Transport Simulation of Chemicals Associated with Coal Seam Gas Extraction

    Science.gov (United States)

    Simunek, J.; Mallants, D.; Jacques, D.; Van Genuchten, M.

    2017-12-01

    The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this presentation is to provide an overview of the HYDRUS models and their add-on modules, and to demonstrate applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the vadose zone. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated) provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the coupled HYDRUS-PHREEQC module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in the vadose zone leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration is complexation of

  2. Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Zachara, John M.; Brantley, Susan L.; Chorover, Jon D.; Ewing, Robert P.; Kerisit, Sebastien N.; Liu, Chongxuan; Perfect, E.; Rother, Gernot; Stack, Andrew G.

    2016-03-16

    Internal pore domains exist within rocks, lithic fragments, subsurface sediments and soil aggregates. These domains, which we term internal domains in porous media (IDPM), contain a significant fraction of their porosity as nanopores, dominate the reactive surface area of diverse porous media types, and are important locations for chemical reactivity and hydrocarbon storage. Traditionally difficult to interrogate, advances in instrumentation and imaging methods are providing new insights on the physical structures and chemical attributes of IDPM. In this review we: discuss analytical methods to characterize IDPM, evaluate what has been learned about their size distributions, connectivity, and extended structures; determine whether they exhibit unique chemical reactivity; and assess potential for their inclusion in reactive transport models. Three key findings are noteworthy. 1) A combination of methods now allows complete characterization of the porosity spectrum of natural materials and its connectivity; while imaging microscopies are providing three dimensional representations of the interconnected pore network. 2) Chemical reactivity in pores <10 nm is expected to be different from micro and macropores, yet research performed to date is inconclusive on the nature, direction, and magnitude of effect. 3) Existing continuum reactive transport models treat IDPM as a sub-grid feature with average, empirical, scale-dependent parameters; and are not formulated to include detailed information on pore networks. Overall we find that IDPM are key features controlling hydrocarbon release from shales in hydrofracking systems, organic matter stabilization and recalcitrance in soil, weathering and soil formation, and long term inorganic and organic contaminant behavior in the vadose zone and groundwater. We conclude with an assessment of impactful research opportunities to advance understanding of IDPM, and to incorporate their important effects in reactive transport models

  3. Hematological Parameters in the Volatile Substance Sniffers

    OpenAIRE

    Dündaröz, Ruşen; Ceylan, Süleyman; Denli, Metin; Açıkel, Cengizhan; Balım, Elvan; Özışık, Tahir

    2009-01-01

    SüleymanDemirel Üniversitesi TIP FAKÜLTESİ DERGİSİ: 1999 Eylül; 6(3) Hematological Parameters in the Volatile Substance Sniffers Ruşen Dündaröz, Süleyman Ceylan, Metin Denli, Cengiz Han Açıkel, Elvan Balım, Tahir Özışık Abstract Glue sniffing is a frequent problem among teenagers. Various chemical substances, especially toluene and benzene, contained in the glues kave been reported to be hematotoxic. The hematological parameters of 44 healthy teenagers ~...

  4. Chemical Composition of Volatiles; Antimicrobial, Antioxidant and Cholinesterase Inhibitory Activity of Chaerophyllum aromaticum L. (Apiaceae) Essential Oils and Extracts.

    Science.gov (United States)

    Petrović, Goran M; Stamenković, Jelena G; Kostevski, Ivana R; Stojanović, Gordana S; Mitić, Violeta D; Zlatković, Bojan K

    2017-05-01

    The present study reports the chemical composition of the headspace volatiles (HS) and essential oils obtained from fresh Chaerophyllum aromaticum root and aerial parts in full vegetative phase, as well as biological activities of their essential oils and MeOH extracts. In HS samples, the most dominant components were monoterpene hydrocarbons. On the other hand, the essential oils consisted mainly of sesquiterpenoids, representing 73.4% of the root and 63.4% of the aerial parts essential oil. The results of antibacterial assay showed that the aerial parts essential oil and MeOH extract have no antibacterial activity, while the root essential oil and extract showed some activity. Both of the tested essential oils exhibited anticholinesterase activity (47.65% and 50.88%, respectively); MeOH extract of the root showed only 8.40% inhibition, while aerial part extract acted as an activator of cholinesterase. Regarding the antioxidant activity, extracts were found to be more effective than the essential oils. © 2017 Wiley-VHCA AG, Zurich, Switzerland.

  5. Volatile compound profile of sous-vide cooked lamb loins at different temperature-time combinations.

    Science.gov (United States)

    Roldán, Mar; Ruiz, Jorge; Del Pulgar, José Sánchez; Pérez-Palacios, Trinidad; Antequera, Teresa

    2015-02-01

    Lamb loins were subjected to sous-vide cooking at different combinations of temperature (60 and 80°C) and time (6 and 24h) to assess the effect on the volatile compound profile. Major chemical families in cooked samples were aliphatic hydrocarbons and aldehydes. The volatile compound profile in sous-vide cooked lamb loin was affected by the cooking temperature and time. Volatile compounds arising from lipid oxidation presented a high abundance in samples cooked at low or moderate cooking conditions (60°C for 6 and 24h, 80°C for 6h), while a more intense time and temperature combination (80°C for 24h) resulted on a higher concentration of volatile compounds arising from Strecker degradations of amino acids, as 2-methylpropanal and 3-methylbutanal. Therefore, sous-vide cooking at moderately high temperatures for long times would result in the formation of a stronger meaty flavor and roast notes in lamb meat. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Volatile profile of Madeira wines submitted to traditional accelerated ageing.

    Science.gov (United States)

    Pereira, Vanda; Cacho, Juan; Marques, José C

    2014-11-01

    The evolution of monovarietal fortified Madeira wines forced-aged by traditional thermal processing (estufagem) were studied in terms of volatiles. SPE extracts were analysed by GC-MS before and after heating at 45 °C for 3 months (standard) and at 70 °C for 1 month (overheating). One hundred and ninety volatile compounds were identified, 53 of which were only encountered in baked wines. Most chemical families increased after standard heating, especially furans and esters, up to 61 and 3-fold, respectively. On the contrary, alcohols, acetates and fatty acids decreased after heating. Varietal aromas, such as Malvasia's monoterpenic alcohols were not detected after baking. The accelerated ageing favoured the development of some volatiles previously reported as typical aromas of finest Madeira wines, particularly phenylacetaldeyde, β-damascenone and 5-ethoxymethylfurfural. Additionally, ethyl butyrate, ethyl 2-methylbutyrate, ethyl caproate, ethyl isovalerate, guaiacol, 5-hydroxymethylfurfural and γ-decalactone were also found as potential contributors to the global aroma of baked wines. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Bidirectional exchange of biogenic volatiles with vegetation: emission sources, reactions, breakdown and deposition

    Science.gov (United States)

    Niinemets, Ülo; Fares, Silvano; Harley, Peter; Jardine, Kolby J.

    2014-01-01

    Biogenic volatile organic compound (BVOC) emissions are widely modeled as inputs to atmospheric chemistry simulations. However, BVOC may interact with cellular structures and neighboring leaves in a complex manner during volatile diffusion from the sites of release to leaf boundary layer and during turbulent transport to the atmospheric boundary layer. Furthermore, recent observations demonstrate that the BVOC emissions are bidirectional, and uptake and deposition of BVOC and their oxidation products are the rule rather than the exception. This review summarizes current knowledge of within-leaf reactions of synthesized volatiles with reactive oxygen species (ROS), uptake, deposition and storage of volatiles and their oxidation products as driven by adsorption on leaf surface and solubilization and enzymatic detoxification inside leaves. The available evidence indicates that due to reactions with ROS and enzymatic metabolism, the BVOC gross production rates are much larger than previously thought. The degree to which volatiles react within leaves and can be potentially taken up by vegetation depends on compound reactivity, physicochemical characteristics, as well as their participation in leaf metabolism. We argue that future models should be based on the concept of bidirectional BVOC exchange and consider modification of BVOC sink/source strengths by within-leaf metabolism and storage. PMID:24635661

  8. Analysis of seven salad rocket (Eruca sativa) accessions: The relationships between sensory attributes and volatile and non-volatile compounds.

    Science.gov (United States)

    Bell, Luke; Methven, Lisa; Signore, Angelo; Oruna-Concha, Maria Jose; Wagstaff, Carol

    2017-03-01

    Sensory and chemical analyses were performed on accessions of rocket (Eruca sativa) to determine phytochemical influences on sensory attributes. A trained panel was used to evaluate leaves, and chemical data were obtained for polyatomic ions, amino acids, sugars and organic acids. These chemical data (and data of glucosinolates, flavonols and headspace volatiles previously reported) were used in Principal Component Analysis (PCA) to determine variables statistically important to sensory traits. Significant differences were observed between samples for polyatomic ion and amino acid concentrations. PCA revealed strong, positive correlations between glucosinolates, isothiocyanates and sulfur compounds with bitterness, mustard, peppery, warming and initial heat mouthfeel traits. The ratio between glucosinolates and sugars inferred reduced perception of bitter aftereffects. We highlight the diversity of E. sativa accessions from a sensory and phytochemical standpoint, and the potential for breeders to create varieties that are nutritionally and sensorially superior to existing ones. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  9. Chemical Equilibrium And Transport (CET)

    Science.gov (United States)

    Mcbride, B. J.

    1991-01-01

    Powerful, machine-independent program calculates theoretical thermodynamic properties of chemical systems. Aids in design of compressors, turbines, engines, heat exchangers, and chemical processing equipment.

  10. Substitution of carcinogenic solvent dichloromethane for the extraction of volatile compounds in a fat-free model food system.

    Science.gov (United States)

    Cayot, Nathalie; Lafarge, Céline; Bou-Maroun, Elias; Cayot, Philippe

    2016-07-22

    Dichloromethane is known as a very efficient solvent, but, as other halogenated solvents, is recognized as a hazardous product (CMR substance). The objective of the present work is to propose substitution solvent for the extraction of volatile compounds. The most important physico-chemical parameters in the choice of an appropriate extraction solvent of volatile compounds are reviewed. Various solvents are selected on this basis and on their hazard characteristics. The selected solvents, safer than dichloromethane, are compared using the extraction efficiency of volatile compounds from a model food product able to interact with volatile compounds. Volatile compounds with different hydrophobicity are used. High extraction yields were positively correlated with high boiling points and high Log Kow values of volatile compounds. Mixtures of solvents such as azeotrope propan-2-one/cyclopentane, azeotrope ethyl acetate/ethanol, and mixture ethyl acetate/ethanol (3:1, v/v) gave higher extraction yields than those obtained with dichloromethane. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Chemistry and mass transport of iodine in containment

    International Nuclear Information System (INIS)

    Beahm, E.C.; Weber, C.F.; Kress, T.S.; Shockley, W.E.; Daish, S.R.

    1988-01-01

    TRENDS is a computer code for modeling behavior of iodine in containment. It tracks both chemical and physical changes and features such as calculation of radiation dose rates in water pools , radiolysis effects, hydrolysis, and deposition/revaporization on aerosols and structural surfaces. Every attempt has been made to account for all significant processes. Reaction rate constants for iodine hydrolysis and radiolysis were obtained by a variable algorithm that gives values closely modeling experimental data. TRENDS output provides the distribution of iodine in containment and release from containment as a function of time during a severe accident sequence. Initial calculations with TRENDS have shown that the amount of volatile iodine released from containment is sensitive to the value of the liquid-gas (evaporation) mass transport coefficient for I 2 . 7 refs., 4 figs., 3 tabs

  12. Chemical Composition of the Volatile Components of Tropaeolum majus L. (Garden Nasturtium from North Western Algeria

    Directory of Open Access Journals (Sweden)

    B. BENYELLES

    2015-11-01

    Full Text Available Essential oil from Tropaeolum majus L. aerial parts, a plant native to North Western Algeria, was obtained by hydrodistillation. The oil volatile components were identified by a combination of gas chromatography/flame ionization detection (GC/FID, GC-mass spectrometry (GC-MS techniques, and NMR spectroscopy. Nine components representing 92.0 % of the essential oil total (GC/FID chromatogram were identified. The most abundant compounds were benzyl isothiocyanate (82.5 %, benzene acetonitrile (3.9 % and 2-phenylethyl isovalerate (2.9 %. Higher content in nitrogen- and sulfur-containing compounds accounting to 86.4 % of the volatile fraction composition of T. majus were quantified.

  13. Establishment of the Volatile Signature of Wine-Based Aromatic Vinegars Subjected to Maceration

    Directory of Open Access Journals (Sweden)

    Rosa Perestrelo

    2018-02-01

    Full Text Available The flavoring of vinegars with aromatic fruits and medicinal herbs is a practice with increasing trend mostly in countries with oenological tradition, resulting in a product of improved quality and consumer attractiveness. This study was directed towards the evaluation of the impact of the maceration process on the volatile signature of wine-based aromatic vinegars (WBAVs. The evaluation was performed using solid phase microextraction (SPME combined with gas chromatography combined with mass spectrometry (GC-MS. Experimental parameters influencing headspace solid (HS-SPME extraction efficiency, were optimized using an univariate experimental design. The best results were achieved using a polydimethylsiloxane (PDMS fiber, 10 mL of vinegar sample, at 50 °C for 30 min of extraction. This way One hundred and three volatile organic compounds (VOCs, belonging to different chemical families including ethyl esters (37, higher alcohols (20, fatty acids (10, terpenoids (23, carbonyl compounds (six, lactones (five and volatile phenols (two, were identified in wine vinegar (control and WBAV. As far as we know, 34 of these VOCs are reported for the first time in macerated vinegars. Higher alcohols and lactones are the major chemical families in WBAV macerated with apple, whereas terpenoids are predominant in WBAV macerated with banana. The obtained data represent a suitable tool to guarantee the authenticity and genuineness of WBAV, as well as to promote the production of WBAV with improved sensorial and organoleptic properties. To the best of our knowledge, there are no reported studies dealing with the volatile signature of WBAV enriched with banana, passion fruit, apple and pennyroyal.

  14. Volatile Components of Oiti Fruit (Licania tomentosa Benth.

    Directory of Open Access Journals (Sweden)

    Maria A. C. Kaplan

    2010-10-01

    Full Text Available The fresh fruits from Licania tomentosa Benth. (Chrysobalanaceae , were submitted to hydrodistillation in a modified Clevenger-type apparatus. Analysis of volatile oil were performed by GC and GC-MS. Comparison of results with literature data allowed the chemical characterization of 83% of compounds of mixture. Thirteen compounds were identified, three monoterpenes, five aliphatic esters, two alcohols, two ketones and one aldehyde. The alcohols were the major compounds (35.6%, but the esters showed great diversity.

  15. Antimicrobial Activity and the Chemical Composition of the Volatile Oil Blend from Allium sativum (Garlic Clove) and Citrus reticulata (Tangerine Fruit)

    OpenAIRE

    OO Johnson; GA Ayoola; T Adenipekun

    2013-01-01

    The synergistic effect in the antimicrobial activity of the volatile oil blend from Garlic clove (Allium sativum) and tangerine fruits (Citrus reticulata) were investigated and compared to antimicrobial activity when the individual volatile oils were used alone. The volatile oils were extracted by steam distillation using Clevenger hydrodistillator apparatus and each oil was tested for antimicrobial activity, while equal volume of these oils were blended and tested for antimicrobial activity....

  16. Chemical reaction path modeling of hydrothermal processes on Mars: Preliminary results

    Science.gov (United States)

    Plumlee, Geoffrey S.; Ridley, W. Ian

    1992-01-01

    Hydrothermal processes are thought to have had significant roles in the development of surficial mineralogies and morphological features on Mars. For example, a significant proportion of the Martian soil could consist of the erosional products of hydrothermally altered impact melt sheets. In this model, impact-driven, vapor-dominated hydrothermal systems hydrothermally altered the surrounding rocks and transported volatiles such as S and Cl to the surface. Further support for impact-driven hydrothermal alteration on Mars was provided by studies of the Ries crater, Germany, where suevite deposits were extensively altered to montmorillonite clays by inferred low-temperature (100-130 C) hydrothermal fluids. It was also suggested that surface outflow from both impact-driven and volcano-driven hydrothermal systems could generate the valley networks, thereby eliminating the need for an early warm wet climate. We use computer-driven chemical reaction path calculation to model chemical processes which were likely associated with postulated Martian hydrothermal systems.

  17. Chemical composition and non-volatile components of three wild edible mushrooms collected from northwest Tunisia

    Directory of Open Access Journals (Sweden)

    ibtissem Kacem Jedidi

    2016-04-01

    Full Text Available In Tunisia, many people collect wild edible mushrooms as pickers for their own consumption. The present work aims at contributing to the determination of the chemical composition, non volatile components content (soluble sugars, free amino acids and minerals and trace elements of three popular Tunisian wild edible mushrooms species collected from the northwest of Tunisia (Agaricus campestris, Boletus edulis and Cantharellus cibarius.All investigated mushrooms revealed that these species are rich sources of proteins (123.70 – 374.10 g kg-1 dry weight (DW and carbohydrates (403.3 – 722.40 g kg-1 DW, and low content of fat (28.2 – 39.9 g kg-1 DW; the highest energetic contribution was guaranteed by C. cibarius (1542.71 kJ / 100 g. A. compestris (33.14 mg/g DW showed the highest concentration of essential amino acids. The composition in individual sugars was also determined, mannitol and trehalose being the most abundant sugars. C. cibarius revealed the highest concentrations of carbohydrates (722.4 g kg-1 DW and A. compestris the lowest concentration (403.3 g kg-1 DW. Potassium (K and sodium (Na are the most abundant minerals in analyzed samples (A. compestris showed the highest concentrations of K and Na, 49141.44 and 9263.886 µg/g DW respectively.

  18. Secondary organic aerosol in the global aerosol – chemical transport model Oslo CTM2

    Directory of Open Access Journals (Sweden)

    I. S. A. Isaksen

    2007-11-01

    Full Text Available The global chemical transport model Oslo CTM2 has been extended to include the formation, transport and deposition of secondary organic aerosol (SOA. Precursor hydrocarbons which are oxidised to form condensible species include both biogenic species such as terpenes and isoprene, as well as species emitted predominantly by anthropogenic activities (toluene, m-xylene, methylbenzene and other aromatics. A model simulation for 2004 gives an annual global SOA production of approximately 55 Tg. Of this total, 2.5 Tg is found to consist of the oxidation products of anthropogenically emitted hydrocarbons, and about 15 Tg is formed by the oxidation products of isoprene. The global production of SOA is increased to about 69 Tg yr−1 by allowing semi-volatile species to partition to ammonium sulphate aerosol. This brings modelled organic aerosol values closer to those observed, however observations in Europe remain significantly underestimated. Allowing SOA to partition into ammonium sulphate aerosol increases the contribution of anthropogenic SOA from about 4.5% to 9.4% of the total production. Total modelled organic aerosol (OA values are found to represent a lower fraction of the measured values in winter (when primary organic aerosol (POA is the dominant OA component than in summer, which may be an indication that estimates of POA emissions are too low. Additionally, for measurement stations where the summer OA values are higher than in winter, the model generally underestimates the increase in summertime OA. In order to correctly model the observed increase in OA in summer, additional SOA sources or formation mechanisms may be necessary. The importance of NO3 as an oxidant of SOA precursors is found to vary regionally, causing up to 50%–60% of the total amount of SOA near the surface in polluted regions and less than 25% in more remote areas, if the yield of condensible oxidation products for β-pinene is used for NO3 oxidation of all terpenes

  19. Volatility and variance swaps : A comparison of quantitative models to calculate the fair volatility and variance strike

    OpenAIRE

    Röring, Johan

    2017-01-01

    Volatility is a common risk measure in the field of finance that describes the magnitude of an asset’s up and down movement. From only being a risk measure, volatility has become an asset class of its own and volatility derivatives enable traders to get an isolated exposure to an asset’s volatility. Two kinds of volatility derivatives are volatility swaps and variance swaps. The problem with volatility swaps and variance swaps is that they require estimations of the future variance and volati...

  20. Chemical-specific screening criteria for interpretation of biomonitoring data for volatile organic compounds (VOCs)--application of steady-state PBPK model solutions.

    Science.gov (United States)

    Aylward, Lesa L; Kirman, Chris R; Blount, Ben C; Hays, Sean M

    2010-10-01

    The National Health and Nutrition Examination Survey (NHANES) generates population-representative biomonitoring data for many chemicals including volatile organic compounds (VOCs) in blood. However, no health or risk-based screening values are available to evaluate these data from a health safety perspective or to use in prioritizing among chemicals for possible risk management actions. We gathered existing risk assessment-based chronic exposure reference values such as reference doses (RfDs), reference concentrations (RfCs), tolerable daily intakes (TDIs), cancer slope factors, etc. and key pharmacokinetic model parameters for 47 VOCs. Using steady-state solutions to a generic physiologically-based pharmacokinetic (PBPK) model structure, we estimated chemical-specific steady-state venous blood concentrations across chemicals associated with unit oral and inhalation exposure rates and with chronic exposure at the identified exposure reference values. The geometric means of the slopes relating modeled steady-state blood concentrations to steady-state exposure to a unit oral dose or unit inhalation concentration among 38 compounds with available pharmacokinetic parameters were 12.0 microg/L per mg/kg-d (geometric standard deviation [GSD] of 3.2) and 3.2 microg/L per mg/m(3) (GSD=1.7), respectively. Chemical-specific blood concentration screening values based on non-cancer reference values for both oral and inhalation exposure range from 0.0005 to 100 microg/L; blood concentrations associated with cancer risk-specific doses at the 1E-05 risk level ranged from 5E-06 to 6E-02 microg/L. The distribution of modeled steady-state blood concentrations associated with unit exposure levels across VOCs may provide a basis for estimating blood concentration screening values for VOCs that lack chemical-specific pharmacokinetic data. The screening blood concentrations presented here provide a tool for risk assessment-based evaluation of population biomonitoring data for VOCs and

  1. Recovery of rare earths from used polishes by chemical vapor transport process

    International Nuclear Information System (INIS)

    Ozaki, T.; Machida, K.; Adachi, G.

    1998-01-01

    Full text: Rare earth oxide polishes are widely used in the glass industry because of its mechanical and chemical polishing action. The Japanese glass industry use 2000 tons per year of the polishes, and a large portion of them are thrown away after their polishing lifetime. A dry recovery processes for rare earths from the used polishes have been investigated by using a chemical vapor transport method via the formation of vapor complexes RAl n Cl 3+3n (R = rare earths). A flow type reactor with various temperature gradients was employed for the process. The used polishes were mixed with active carbon, and chlorinated with N 2 + Cl 2 mixture at 1273 K. Aluminium oxide were also chlorinated at lower temperature and the resulting AlCl 3 were introduced to the reactor. The rare earth chlorides and AlCl 3 were converted to the vapor complexes. These were driven along the temperature gradient, decomposed according to the reverse reaction, and regenerated RCl 3 . About 90 % of the used polish were chlorinated after 2 hours. Rare earth chlorides, AlCl 3 , and FeCl 3 were fully transported after 82 hours. The rare earth chlorides were mainly condensed over the temperature range 1263-903 K. On the other hand, AlCl 3 and FeCl 3 were deposited at the temperature range below 413 K. CaCl 2 and SrCl 2 were hardly transported and remained in the residue. When the temperature gradient with the smaller slope was used, mutual separation efficiencies among the rare earths was improved. The highest CeCl 3 purity of 80% was obtained in the process

  2. Endogenous Lunar Volatiles

    Science.gov (United States)

    McCubbin, F. M.; Liu, Y.; Barnes, J. J.; Anand, M.; Boyce, J. W.; Burney, D.; Day, J. M. D.; Elardo, S. M.; Hui, H.; Klima, R. L.; Magna, T.; Ni, P.; Steenstra, E.; Tartèse, R.; Vander Kaaden, K. E.

    2018-04-01

    This abstract discusses numerous outstanding questions on the topic of endogenous lunar volatiles that will need to be addressed in the coming years. Although substantial insights into endogenous lunar volatiles have been gained, more work remains.

  3. Emerging non-volatile memories

    CERN Document Server

    Hong, Seungbum; Wouters, Dirk

    2014-01-01

    This book is an introduction to the fundamentals of emerging non-volatile memories and provides an overview of future trends in the field. Readers will find coverage of seven important memory technologies, including Ferroelectric Random Access Memory (FeRAM), Ferromagnetic RAM (FMRAM), Multiferroic RAM (MFRAM), Phase-Change Memories (PCM), Oxide-based Resistive RAM (RRAM), Probe Storage, and Polymer Memories. Chapters are structured to reflect diffusions and clashes between different topics. Emerging Non-Volatile Memories is an ideal book for graduate students, faculty, and professionals working in the area of non-volatile memory. This book also: Covers key memory technologies, including Ferroelectric Random Access Memory (FeRAM), Ferromagnetic RAM (FMRAM), and Multiferroic RAM (MFRAM), among others. Provides an overview of non-volatile memory fundamentals. Broadens readers' understanding of future trends in non-volatile memories.

  4. Volatility Exposure for Strategic Asset Allocation

    OpenAIRE

    Briere, Marie; Burgues, Alexandre; Signori, Ombretta

    2008-01-01

    This paper examines the advantages of incorporating strategic exposure to equity volatility into the investment-opportunity set of a long-term equity investor. We consider two standard volatility investments: implied volatility and volatility risk premium strategies. To calibrate and assess the risk/return profile of the portfolio, we present an analytical framework offering pragmatic solutions for long-term investors seeking exposure to volatility. The benefit of volatility exposure for a co...

  5. Studies of volatiles and organic materials in early terrestrial and present-day outer solar system environments

    Science.gov (United States)

    Sagan, Carl; Thompson, W. Reid; Chyba, Christopher F.; Khare, B. N.

    1991-01-01

    A review and partial summary of projects within several areas of research generally involving the origin, distribution, chemistry, and spectral/dielectric properties of volatiles and organic materials in the outer solar system and early terrestrial environments are presented. The major topics covered include: (1) impact delivery of volatiles and organic compounds to the early terrestrial planets; (2) optical constants measurements; (3) spectral classification, chemical processes, and distribution of materials; and (4) radar properties of ice, hydrocarbons, and organic heteropolymers.

  6. Chemical investigation of the volatile constituents of Cleome viscosa from Nigeria

    Directory of Open Access Journals (Sweden)

    Gabriel Olatunji

    2005-06-01

    Full Text Available The major volatile constituents of the oils from the integral parts of Cleome viscosa L. from Nigeria have been identified by GC, GC/MS and 1H NMR. The main constituents of the non-polar fraction of the oils were monoterpene hydrocarbons (21% in stem/leaves, 15% in seed/fruits, 12% in roots and some oxygenated derivatives (3% in leaves/stem; 1% in seeds/fruits and 1.5% in roots. The monoterpenes occurred frequently in the oils. Fatty acid esters especially ethyl palmitate which constituted a major constituent in the oil from the seeds/fruits was not detected in the oils from the roots.

  7. Devices for collecting chemical compounds

    Science.gov (United States)

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  8. [Behavioral response of Anopheles albimanus to volatile compounds collected inside houses from the south of Chiapas, Mexico].

    Science.gov (United States)

    Ríos-Delgado, Silvany Mayoly; Rodríguez-Ramírez, Américo David; Cruz-López, Leopoldo; Escobar-Pérez, Luis Alonso; Aburto-Juárez, Ma de Lourdes; Torres-Estrada, José Luis

    2008-01-01

    To determine effects of volatile compounds in homes on the behavioral response of Anopheles albimanus. The study was conducted in January 2006, in the village of Nueva Independencia village, Suchiate, Chiapas. Volatile compounds were collected inside homes and the extracts were tested on unfed females in a Y-olfactometer. Extracts were analyzed in a gas chromatography-mass spectrometry system (GC-MS). Twenty eight extracts were obtained, twelve presented attraction and two repellency responses. GC-MS analyses of the extracts indicated variation in the volatile compound present in the extracts, but could not associated specific compounds with any particular effect. Within homes, volatiles presented attraction and repellency responses to An. albimanus. A definate pattern concerning the presence of a characteristic chemical compound and the observed response was not found.

  9. Origin of Volatiles in Earth: Indigenous Versus Exogenous Sources Based on Highly Siderophile, Volatile Siderophile, and Light Volatile Elements

    Science.gov (United States)

    Righter, K.; Danielson, L.; Pando, K. M.; Marin, N.; Nickodem, K.

    2015-01-01

    Origin of Earth's volatiles has traditionally been ascribed to late accretion of material after major differentiation events - chondrites, comets, ice or other exogenous sources. A competing theory is that the Earth accreted its volatiles as it was built, thus water and other building blocks were present early and during differentiation and core formation (indigenous). Here we discuss geochemical evidence from three groups of elements that suggests Earth's volatiles were acquired during accretion and did not require additional sources after differentiation.

  10. Effect of radiation on volatile component in spices

    International Nuclear Information System (INIS)

    Ratnayake, A.K.

    1991-01-01

    This research project deals with the determination of chemical changes of some spices such as Cardamon, Nutmeg, Clove and Pepper, when subjected to gamma irradiation. The spices were irradiated in a CO 6 0 gamma source with 5 kGy, 7kGy and 10 kGy at a dose rate of 5 kGy/hr. Radiation dose less than 10 kGy can be used for processing of spices, without producing any changes in volatile components. The disadvantages in using the traditional methods of fumigation, use of chemicals or heat treatment as a measure of reducing contamination are discussed. It is shown that irradiation is the best method of decontamination of spices without making changes in oil percentage or chemical composition. Finally the study discusses the economic aspects and authorization from the point of view of consumer acceptance and the use of irradiation of spices

  11. Trophic complexity and the adaptive value of damage-induced plant volatiles.

    Directory of Open Access Journals (Sweden)

    Ian Kaplan

    Full Text Available Indirect plant defenses are those facilitating the action of carnivores in ridding plants of their herbivorous consumers, as opposed to directly poisoning or repelling them. Of the numerous and diverse indirect defensive strategies employed by plants, inducible volatile production has garnered the most fascination among plant-insect ecologists. These volatile chemicals are emitted in response to feeding by herbivorous arthropods and serve to guide predators and parasitic wasps to their prey. Implicit in virtually all discussions of plant volatile-carnivore interactions is the premise that plants "call for help" to bodyguards that serve to boost plant fitness by limiting herbivore damage. This, by necessity, assumes a three-trophic level food chain where carnivores benefit plants, a theoretical framework that is conceptually tractable and convenient, but poorly depicts the complexity of food-web dynamics occurring in real communities. Recent work suggests that hyperparasitoids, top consumers acting from the fourth trophic level, exploit the same plant volatile cues used by third trophic level carnivores. Further, hyperparasitoids shift their foraging preferences, specifically cueing in to the odor profile of a plant being damaged by a parasitized herbivore that contains their host compared with damage from an unparasitized herbivore. If this outcome is broadly representative of plant-insect food webs at large, it suggests that damage-induced volatiles may not always be beneficial to plants with major implications for the evolution of anti-herbivore defense and manipulating plant traits to improve biological control in agricultural crops.

  12. Relationship between sensory attributes and volatile compounds of polish dry-cured loin

    Science.gov (United States)

    Górska, Ewa; Nowicka, Katarzyna; Jaworska, Danuta; Przybylski, Wiesław; Tambor, Krzysztof

    2017-01-01

    Objective The aim of this work was to determine the relationship between objective sensory descriptors and volatile flavour compound composition of Polish traditional dry-cured loin. Methods The volatile compounds were investigated by using solid phase microextraction (SPME) and gas chromatography–mass spectrometry (GC–MS). For sensory assessment, the quantitative descriptive analysis (QDA) method was used. Results A total of 50 volatile compounds were found and assigned to 17 chemical families. Most of the detected volatile compounds derived from smoking, lipid oxidative reactions and seasoning (46.8%, 21.7%, and 18.9%, respectively). The dominant compounds were: aromatic hydrocarbon (toluene); alkanes (hexane, heptane, and 2,2,4-trimethylpentane); aldehyde (hexanal); alcohol (2-furanmethanol); ketone (3-hydroxy-2-butanone); phenol (guaiacol); and terpenes (eucalyptol, cymene, γ-terpinen, and limonene). Correlation analysis showed that some compounds derived from smoking were positively correlated with the intensity of cured meat odour and flavour and negatively with the intensity of dried meat odour and flavour, while terpenes were strongly correlated with odour and flavour of added spices. Conclusion The analysed dry-cured loins were characterized by specific and unique sensory profile. Odour and flavour of studied loins was mainly determined by volatile compounds originating from smoking, seasoning and lipid oxidation. Obtained results suggest that smoking process is a crucial stage during Polish traditional dry-cured loins production. PMID:27456422

  13. Relationship between sensory attributes and volatile compounds of polish dry-cured loin

    Directory of Open Access Journals (Sweden)

    Ewa Górska

    2017-05-01

    Full Text Available Objective The aim of this work was to determine the relationship between objective sensory descriptors and volatile flavour compound composition of Polish traditional dry-cured loin. Methods The volatile compounds were investigated by using solid phase microextraction (SPME and gas chromatography–mass spectrometry (GC–MS. For sensory assessment, the quantitative descriptive analysis (QDA method was used. Results A total of 50 volatile compounds were found and assigned to 17 chemical families. Most of the detected volatile compounds derived from smoking, lipid oxidative reactions and seasoning (46.8%, 21.7%, and 18.9%, respectively. The dominant compounds were: aromatic hydrocarbon (toluene; alkanes (hexane, heptane, and 2,2,4-trimethylpentane; aldehyde (hexanal; alcohol (2-furanmethanol; ketone (3-hydroxy-2-butanone; phenol (guaiacol; and terpenes (eucalyptol, cymene, γ-terpinen, and limonene. Correlation analysis showed that some compounds derived from smoking were positively correlated with the intensity of cured meat odour and flavour and negatively with the intensity of dried meat odour and flavour, while terpenes were strongly correlated with odour and flavour of added spices. Conclusion The analysed dry-cured loins were characterized by specific and unique sensory profile. Odour and flavour of studied loins was mainly determined by volatile compounds originating from smoking, seasoning and lipid oxidation. Obtained results suggest that smoking process is a crucial stage during Polish traditional dry-cured loins production.

  14. Volatility transmission and volatility impulse response functions in European electricity forward markets

    International Nuclear Information System (INIS)

    Le Pen, Yannick; Sevi, Benoit

    2008-01-01

    Using daily data from March 2001 to June 2005, we estimate a VAR-BEKK model and find evidence of return and volatility spillovers between the German, the Dutch and the British forward electricity markets. We apply Hafner and Herwartz [2006, Journal of International Money and Finance 25, 719-740] Volatility Impulse Response Function(VIRF) to quantify the impact of shock on expected conditional volatility. We observe that a shock has a high positive impact only if its size is large compared to the current level of volatility. The impact of shocks are usually not persistent, which may be an indication of market efficiency. Finally, we estimate the density of the VIRF at different forecast horizon. These fitted distributions are asymmetric and show that extreme events are possible even if their probability is low. These results have interesting implications for market participants whose risk management policy is based on option prices which themselves depend on the volatility level. (authors)

  15. Dynamic chemical communication between plants and bacteria through airborne signals: induced resistance by bacterial volatiles.

    Science.gov (United States)

    Farag, Mohamed A; Zhang, Huiming; Ryu, Choong-Min

    2013-07-01

    Certain plant growth-promoting rhizobacteria (PGPR) elicit induced systemic resistance (ISR) and plant growth promotion in the absence of physical contact with plants via volatile organic compound (VOC) emissions. In this article, we review the recent progess made by research into the interactions between PGPR VOCs and plants, focusing on VOC emission by PGPR strains in plants. Particular attention is given to the mechanisms by which these bacterial VOCs elicit ISR. We provide an overview of recent progress in the elucidation of PGPR VOC interactions from studies utilizing transcriptome, metabolome, and proteome analyses. By monitoring defense gene expression patterns, performing 2-dimensional electrophoresis, and studying defense signaling null mutants, salicylic acid and ethylene have been found to be key players in plant signaling pathways involved in the ISR response. Bacterial VOCs also confer induced systemic tolerance to abiotic stresses, such as drought and heavy metals. A review of current analytical approaches for PGPR volatile profiling is also provided with needed future developments emphasized. To assess potential utilization of PGPR VOCs for crop plants, volatile suspensions have been applied to pepper and cucumber roots and found to be effective at protecting plants against plant pathogens and insect pests in the field. Taken together, these studies provide further insight into the biological and ecological potential of PGPR VOCs for enhancing plant self-immunity and/or adaptation to biotic and abiotic stresses in modern agriculture.

  16. Botanical discrimination of Greek unifloral honeys with physico-chemical and chemometric analyses.

    Science.gov (United States)

    Karabagias, Ioannis K; Badeka, Anastasia V; Kontakos, Stavros; Karabournioti, Sofia; Kontominas, Michael G

    2014-12-15

    The aim of the present study was to investigate the possibility of characterisation and classification of Greek unifloral honeys (pine, thyme, fir and orange blossom) according to botanical origin using volatile compounds, conventional physico-chemical parameters and chemometric analyses (MANOVA and Linear Discriminant Analysis). For this purpose, 119 honey samples were collected during the harvesting period 2011 from 14 different regions in Greece known to produce unifloral honey of good quality. Physico-chemical analysis included the identification and semi quantification of fifty five volatile compounds performed by Headspace Solid Phase Microextraction coupled to gas chromatography/mass spectroscopy and the determination of conventional quality parameters such as pH, free, lactonic, total acidity, electrical conductivity, moisture, ash, lactonic/free acidity ratio and colour parameters L, a, b. Results showed that using 40 diverse variables (30 volatile compounds of different classes and 10 physico-chemical parameters) the honey samples were satisfactorily classified according to botanical origin using volatile compounds (84.0% correct prediction), physicochemical parameters (97.5% correct prediction), and the combination of both (95.8% correct prediction) indicating that multi element analysis comprises a powerful tool for honey discrimination purposes. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. The volatility of HOL

    International Nuclear Information System (INIS)

    Wren, D.J.; Sanipelli, G.

    1985-01-01

    The volatility of HOI has been measured using a mass spectrometer to analyze the gas phase above an aqueous solution. The HOI in solution was generated continuously in a flow reactor that combined I/sup -/ and OCl/sup -/ solutions. The analysis has resulted in a lower limit of 6X10/sup 3/ mol . dm/sup -3/ . atm/sup -1/ for the equilibrium constant for the reaction HOI(g)/equilibrium/HOI(aq). This value is a factor 30 greater than the best previous estimate. This new limit for HOI volatility results in higher total iodine partition coefficients, particularly for solutions with pH>8. The upper limit for the equilibrium constant is consistent with essentially zero volatility for HOI. The effect of HOI volatility on total iodine volatility is briefly discussed as a function of solution chemistry and kinetics

  18. Volatile monoterpenes in a stand of Picea abies (L.) Karst

    International Nuclear Information System (INIS)

    Schuermann, W.; Eichstaedter, G.; Steinbrecher, R.; Schoenwitz, R.; Gabriel, R.; Karbach, I.; Zufall, N.; Ziegler, H.

    1992-01-01

    Natural emissions of terpene and their fate in the atmosphere were investigated in a forest stand of the Bayerischer Wald mountains. Terpenes are volatile hydrocarbons whose relevance for air chemistry has increased considerably in the past few years. The investigation compared different sources of terpene in order to determine their strength as a function of meteorological, air-chemical and biological parameters. (orig./BBR) [de

  19. Exposure to Anacardiaceae volatile oils and their constituents induces lipid peroxidation within food-borne bacteria cells.

    Science.gov (United States)

    Montanari, Ricardo M; Barbosa, Luiz C A; Demuner, Antonio J; Silva, Cleber J; Andrade, Nelio J; Ismail, Fyaz M D; Barbosa, Maria C A

    2012-08-14

    The chemical composition of the volatile oils from five Anacardiaceae species and their activities against Gram positive and negative bacteria were assessed. The peroxidative damage within bacterial cell membranes was determined through the breakdown product malondialdehyde (MDA). The major constituents in Anacardium humile leaves oil were (E)-caryophyllene (31.0%) and α-pinene (22.0%), and in Anacardium occidentale oil they were (E)-caryophyllene (15.4%) and germacrene-D (11.5%). Volatile oil from Astronium fraxinifolium leaves were dominated by (E)-β-ocimene (44.1%) and α-terpinolene (15.2%), whilst the oil from Myracrodruon urundeuva contained an abundance of δ-3-carene (78.8%). However, Schinus terebinthifolius leaves oil collected in March and July presented different chemical compositions. The oils from all species, except the one from A. occidentale, exhibited varying levels of antibacterial activity against Staphylococcus aureus, Bacillus cereus and Escherichia coli. Oil extracted in July from S. terebinthifolius was more active against all bacterial strains than the corresponding oil extracted in March. The high antibacterial activity of the M. urundeuva oil could be ascribed to its high δ-3-carene content. The amounts of MDA generated within bacterial cells indicate that the volatile oils induce lipid peroxidation. The results suggest that one putative mechanism of antibacterial action of these volatile oils is pro-oxidant damage within bacterial cell membrane explaining in part their preservative properties.

  20. Demonstration of spread-on peel-off consumer products for sampling surfaces contaminated with pesticides and chemical warfare agent signatures.

    Science.gov (United States)

    Behringer, Deborah L; Smith, Deborah L; Katona, Vanessa R; Lewis, Alan T; Hernon-Kenny, Laura A; Crenshaw, Michael D

    2014-08-01

    A terrorist attack using toxic chemicals is an international concern. The utility of rubber cement and latex body paint as spray-on/spread-on peel-off collection media for signatures attributable to pesticides and chemical warfare agents from interior building and public transportation surfaces two weeks post-deposition is demonstrated. The efficacy of these media to sample escalator handrail, stainless steel, vinyl upholstery fabric, and wood flooring is demonstrated for two pesticides and eight chemicals related to chemical warfare agents. The chemicals tested are nicotine, parathion, atropine, diisopropyl methylphosphonate, dimethyl methylphosphonate, dipinacolyl methylphosphonate, ethyl methylphosphonic acid, isopropyl methylphosphonic acid, methylphosphonic acid, and thiodiglycol. Amounts of each chemical found are generally greatest when latex body paint is used. Analytes with low volatility and containing an alkaline nitrogen or a sulfur atom (e.g., nicotine and parathion) usually are recovered to a greater extent than the neutral phosphonate diesters and acidic phosphonic acids (e.g., dimethyl methylphosphonate and ethyl methylphosphonic acid). Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  1. Chondritic Mn/Na ratio and limited post-nebular volatile loss of the Earth

    Science.gov (United States)

    Siebert, Julien; Sossi, Paolo A.; Blanchard, Ingrid; Mahan, Brandon; Badro, James; Moynier, Frédéric

    2018-03-01

    The depletion pattern of volatile elements on Earth and other differentiated terrestrial bodies provides a unique insight as to the nature and origin of planetary building blocks. The processes responsible for the depletion of volatile elements range from the early incomplete condensation in the solar nebula to the late de-volatilization induced by heating and impacting during planetary accretion after the dispersion of the H2-rich nebular gas. Furthermore, as many volatile elements are also siderophile (metal-loving), it is often difficult to deconvolve the effect of volatility from core formation. With the notable exception of the Earth, all the differentiated terrestrial bodies for which we have samples have non-chondritic Mn/Na ratios, taken as a signature of post-nebular volatilization. The bulk silicate Earth (BSE) is unique in that its Mn/Na ratio is chondritic, which points to a nebular origin for the depletion; unless the Mn/Na in the BSE is not that of the bulk Earth (BE), and has been affected by core formation through the partitioning of Mn in Earth's core. Here we quantify the metal-silicate partitioning behavior of Mn at deep magma ocean pressure and temperature conditions directly applicable to core formation. The experiments show that Mn becomes more siderophile with increasing pressure and temperature. Modeling the partitioning of Mn during core formation by combining our results with previous data at lower P-T conditions, we show that the core likely contains a significant fraction (20 to 35%) of Earth's Mn budget. However, we show that the derived Mn/Na value of the bulk Earth still lies on the volatile-depleted end of a trend defined by chondritic meteorites in a Mn/Na vs Mn/Mg plot, which tend to higher Mn/Na with increasing volatile depletion. This suggests that the material that formed the Earth recorded similar chemical fractionation processes for moderately volatile elements as chondrites in the solar nebula, and experienced limited post

  2. One hundred volatile years of volcanic gas studies at the Hawaiian Volcano Observatory: Chapter 7 in Characteristics of Hawaiian volcanoes

    Science.gov (United States)

    Sutton, A.J.; Elias, Tamar; Poland, Michael P.; Takahashi, T. Jane; Landowski, Claire M.

    2014-01-01

    The first volcanic gas studies in Hawai‘i, beginning in 1912, established that volatile emissions from Kīlauea Volcano contained mostly water vapor, in addition to carbon dioxide and sulfur dioxide. This straightforward discovery overturned a popular volatile theory of the day and, in the same action, helped affirm Thomas A. Jaggar, Jr.’s, vision of the Hawaiian Volcano Observatory (HVO) as a preeminent place to study volcanic processes. Decades later, the environmental movement produced a watershed of quantitative analytical tools that, after being tested at Kīlauea, became part of the regular monitoring effort at HVO. The resulting volatile emission and fumarole chemistry datasets are some of the most extensive on the planet. These data indicate that magma from the mantle enters the shallow magmatic system of Kīlauea sufficiently oversaturated in CO2 to produce turbulent flow. Passive degassing at Kīlauea’s summit that occurred from 1983 through 2007 yielded CO2-depleted, but SO2- and H2O-rich, rift eruptive gases. Beginning with the 2008 summit eruption, magma reaching the East Rift Zone eruption site became depleted of much of its volatile content at the summit eruptive vent before transport to Pu‘u ‘Ō‘ō. The volatile emissions of Hawaiian volcanoes are halogen-poor, relative to those of other basaltic systems. Information gained regarding intrinsic gas solubilities at Kīlauea and Mauna Loa, as well as the pressure-controlled nature of gas release, have provided useful tools for tracking eruptive activity. Regular CO2-emission-rate measurements at Kīlauea’s summit, together with surface-deformation and other data, detected an increase in deep magma supply more than a year before a corresponding surge in effusive activity. Correspondingly, HVO routinely uses SO2 emissions to study shallow eruptive processes and effusion rates. HVO gas studies and Kīlauea’s long-running East Rift Zone eruption also demonstrate that volatile emissions can

  3. Mineral-leaching chemical transport with runoff and sediment from severely eroded rare-earth tailings in southern China

    Science.gov (United States)

    Lu, Huizhong; Cao, Longxi; Liang, Yin; Yuan, Jiuqin; Zhu, Yayun; Wang, Yi; Gu, Yalan; Zhao, Qiguo

    2017-08-01

    Rare-earth mining has led to severe soil erosion in southern China. Furthermore, the presence of the mineral-leaching chemical ammonium sulfate in runoff and sediment poses a serious environmental threat to downstream water bodies. In this paper, the characteristics of mineral-leaching chemicals in surface soil samples collected in the field were studied. In addition, NH4+ and SO42- transport via soil erosion was monitored using runoff and sediment samples collected during natural rainfall processes. The results demonstrated that the NH4+ contents in the surface sediment deposits increased from the top of the heap (6.56 mg kg-1) to the gully (8.23 mg kg-1) and outside the tailing heap (13.03 mg kg-1). The contents of SO42- in the different locations of the tailing heaps ranged from 27.71 to 40.33 mg kg-1. During typical rainfall events, the absorbed NH4+ concentrations (2.05, 1.26 mg L-1) in runoff were significantly higher than the dissolved concentrations (0.93, 1.04 mg L-1), while the absorbed SO42- concentrations (2.87, 1.92 mg L-1) were significantly lower than the dissolved concentrations (6.55, 7.51 mg L-1). The dissolved NH4+ and SO42- concentrations in runoff displayed an exponentially decreasing tendency with increasing transport distance (Y = 1. 02 ṡ exp( - 0. 00312X); Y = 3. 34 ṡ exp( - 0. 0185X)). No clear trend with increasing distance was observed for the absorbed NH4+ and SO42- contents in transported sediment. The NH4+ and SO42- contents had positive correlations with the silt and clay ratio in transported sediment but negative correlations with the sand ratio. These results provide a better understanding of the transport processes and can be used to develop equations to predict the transport of mineral-leaching chemicals in rare-earth tailings, which can provide a scientific foundation for erosion control and soil management in rare-earth tailing regions in southern China.

  4. Studying Plant–Insect Interactions with Solid Phase Microextraction: Screening for Airborne Volatile Emissions Response of Soybeans to the Soybean Aphid, Aphis glycines Matsumura (Hemiptera: Aphididae

    Directory of Open Access Journals (Sweden)

    Lingshuang Cai

    2015-05-01

    Full Text Available Insects trigger plants to release volatile compounds that mediate the interaction with both pest and beneficial insects. Soybean aphids (Aphis glycines induces soybean (Glycine max leaves to produce volatiles that attract predators of the aphid. In this research, we describe the use of solid-phase microextraction (SPME for extraction of volatiles from A. glycines-infested plant. Objectives were to (1 determine if SPME can be used to collect soybean plant volatiles and to (2 use headspace SPME-GC-MS approach to screen compounds associated with A. glycines-infested soybeans, grown in the laboratory and in the field, to identify previously known and potentially novel chemical markers of infestation. A total of 62 plant volatiles were identified, representing 10 chemical classes. 39 compounds had not been found in previous studies of soybean volatile emissions. 3-hexen-1-ol, dimethyl nonatriene, indole, caryophyllene, benzaldehyde, linalool, methyl salicylate (MeSA, benzene ethanol, and farnesene were considered herbivore-induced plant volatiles (HIPVs. For reproductive field-grown soybeans, three compounds were emitted in greater abundance from leaves infested with A. glycines, cis-3-hexen-1-ol acetate, MeSA and farnesene. In summary, SPME can detect the emission of HIPVs from plants infested with insect herbivores.

  5. RESOLVE (Regolith & Environmental Science Oxygen & Lunar Volatile Extraction) Project

    Science.gov (United States)

    Parker, Ray; Coan, Mary; Captain, Janine; Cryderman, Kate; Quinn, Jacqueline

    2015-01-01

    The RESOLVE Project is a lunar prospecting mission whose primary goal is to characterize water and other volatiles in lunar regolith. The Lunar Advanced Volatiles Analysis (LAVA) subsystem is comprised of a fluid subsystem that transports flow to the gas chromatograph - mass spectrometer (GC-MS) instruments that characterize volatiles and the Water Droplet Demonstration (WDD) that will capture and display water condensation in the gas stream. The LAVA Engineering Test Unit (ETU) is undergoing risk reduction testing this summer and fall within a vacuum chamber to understand and characterize component and integrated system performance. Testing of line heaters, printed circuit heaters, pressure transducers, temperature sensors, regulators, and valves in atmospheric and vacuum environments was done. Test procedures were developed to guide experimental tests and test reports to analyze and draw conclusions from the data. In addition, knowledge and experience was gained with preparing a vacuum chamber with fluid and electrical connections. Further testing will include integrated testing of the fluid subsystem with the gas supply system, near-infrared spectrometer for the Surge Tank (NIRST), WDD, Sample Delivery System, and GC-MS in the vacuum chamber. Since LAVA is a scientific subsystem, the near infrared spectrometer and GC-MS instruments will be tested during the ETU testing phase.

  6. Rapid analytical extraction of volatile fermentation products

    Energy Technology Data Exchange (ETDEWEB)

    Jansen, N B; Flickinger, M C; Tsao, G T

    1979-10-01

    With renewed interest in production of liquid fuels and chemical feedstocks from carbohydrates, numerous authors have utilized gas-liquid chromatography (GC) for quantification of volatile products. Poor separation and short column life will result if residual sugars present in the medium are not separated from the volatile compounds before injection. In our current investigation of 2,3-butanediol production from xylose, we have developed a rapid GC assay for 2,3-butanediol, acetyl methyl carbinol (acetoin), 2,3-butanedione (diacetyl), and ethanol. This method extracts the fermentation products at high pH from residual xylose before injection into the GC. This routine is a modification of the method of Kolfenbach et al. and is more rapid than the method of separation of diacetyl and acetoin from carbohydrates by distillation reported by Gupta et al. Their erroneous reports of yields of 640 mg diacetyl + acetoin/g sugar are 30% higher than the theoretical maximum for Enterobacter cloacae (ATCC 27613) and points out the need for a reliable, accurate assay for these products.

  7. Volatility Mean Reversion and the Market Price of Volatility Risk

    NARCIS (Netherlands)

    Boswijk, H.P.

    2001-01-01

    This paper analyzes sources of derivative pricing errors in a stochastic volatility model estimated on stock return data. It is shown that such pricing errors may reflect the existence of a market price of volatility risk, but also may be caused by estimation errors due to a slow mean reversion in

  8. Reproductive endocrine patterns and volatile urinary compounds of Arctictis binturong: discovering why bearcats smell like popcorn

    Science.gov (United States)

    Greene, Lydia K.; Wallen, Timothy W.; Moresco, Anneke; Goodwin, Thomas E.; Drea, Christine M.

    2016-06-01

    Members of the order Carnivora rely on urinary scent signaling, particularly for communicating about reproductive parameters. Here, we describe reproductive endocrine patterns in relation to urinary olfactory cues in a vulnerable and relatively unknown viverrid—the binturong ( Arctictis binturong). Female binturongs are larger than and dominate males, and both sexes engage in glandular and urinary scent marking. Using a large ( n = 33), captive population, we collected serum samples to measure circulating sex steroids via enzyme immunoassay and urine samples to assay volatile chemicals via gas chromatography-mass spectrometry. Male binturongs had expectedly greater androgen concentrations than did females but, more unusually, had equal estrogen concentrations, which may be linked to male deference. Males also expressed a significantly richer array of volatile chemical compounds than did females. A subset of these volatile chemicals resisted decay at ambient temperatures, potentially indicating their importance as long-lasting semiochemicals. Among these compounds was 2-acetyl-1-pyrroline (2-AP), which is typically produced at high temperatures by the Maillard reaction and is likely to be responsible for the binturong's characteristic popcorn aroma. 2-AP, the only compound expressed by all of the subjects, was found in greater abundance in males than females and was significantly and positively related to circulating androstenedione concentrations in both sexes. This unusual compound may have a more significant role in mammalian semiochemistry than previously appreciated. Based on these novel data, we suggest that hormonal action and potentially complex chemical reactions mediate communication of the binturong's signature scent and convey information about sex and reproductive state.

  9. Hot char-catalytic reforming of volatiles from MSW pyrolysis

    International Nuclear Information System (INIS)

    Wang, Na; Chen, Dezhen; Arena, Umberto; He, Pinjing

    2017-01-01

    Highlights: • Volatile from MSW pyrolysis is reformed with hot char from the same pyrolysis process. • The yields of syngas increase evidently with H 2 being the main contributor and the major component of the syngas. • Pyrolysis oil becomes light and its composition distribution is narrowed. • The HHV, volatile elements and alkali metals contents in the char decrease. • The emissions including SO 2 , NO, NO 2 and HCN changed after reforming process. - Abstract: Volatile products obtained from pyrolysis of municipal solid waste (MSW), including syngas and pyrolysis oil, were forced to contact the hot char from the same pyrolysis process at 500–600 °C in a fixed bed reactor to be reformed. The yields and properties of syngas, char and pyrolysis liquid were investigated; and the energy re-distribution among the products due to char reforming was quantified. The preliminary investigation at lab scale showed that hot char-catalytic reforming of the volatiles leads to an increase in the dry syngas yield from 0.25 to 0.37 N m 3 kg −1 MSW at 550 °C. Accordingly, the carbon conversion ratio into syngas increases from 29.6% to 35.0%; and the MSW chemical energy transferred into syngas increased from 41.8% to 47.4%. The yield of pyrolysis liquid products, including pyrolysis oil and water, decreased from 27.3 to 16.5 wt%, and the molecular weight of the oil becoming lighter. Approximately 60% of the water vapour contained in the volatiles converted into syngas. After reforming, the concentrations of SO 2 and HCN in the syngas decreases, while those of NO and NO 2 increase. The char concentrations of N, H, C and alkali metal species decreased and its higher heating value decreased too.

  10. Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Yangyang; Wang, Zhen; Zhang, Mingliang; Wang, Xiaodong, E-mail: xdwang@semi.ac.cn; Ji, An; Yang, Fuhua [Engineering Research Center for Semiconductor Integrated Technology, Institute of Semiconductors, Chinese Academy of Sciences, Beijing, 100083 (China)

    2014-03-15

    The electron transport characteristics of silicon nanowires (SiNWs) fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V) characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

  11. Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

    Science.gov (United States)

    Qi, Yangyang; Wang, Zhen; Zhang, Mingliang; Wang, Xiaodong; Ji, An; Yang, Fuhua

    2014-03-01

    The electron transport characteristics of silicon nanowires (SiNWs) fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V) characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

  12. Control of postharvest Botrytis fruit rot of strawberry by volatile organic compounds of Candida intermedia.

    Science.gov (United States)

    Huang, R; Li, G Q; Zhang, J; Yang, L; Che, H J; Jiang, D H; Huang, H C

    2011-07-01

    A study was conducted to identify volatile organic compounds or volatiles produced by Candida intermedia strain C410 using gas chromatography-mass spectrometry, and to determine efficacy of the volatiles of C. intermedia in suppression of conidial germination and mycelial growth of Botrytis cinerea and control of Botrytis fruit rot of strawberry. Results showed that, among 49 volatiles (esters, alcohols, alkenes, alkanes, alkynes, organic acids, ketones, and aldehydes) identified from C. intermedia cultures on yeast extract peptone dextrose agar, two compounds, 1,3,5,7-cyclooctatetraene and 3-methyl-1-butanol, were the most abundant. Synthetic chemicals of 1,3,5,7-cyclooctatetraene; 3-methyl-1-butanol; 2-nonanone; pentanoic acid, 4-methyl-, ethyl ester; 3-methyl-1-butanol, acetate; acetic acid, pentyl ester; and hexanoic acid, ethyl ester were highly inhibitory to conidial germination and mycelial growth of B. cinerea. Inhibition of conidial germination and mycelial growth of B. cinerea by volatiles of C. intermedia was also observed. Meanwhile, results showed that incidence and severity of Botrytis fruit rot of strawberry was significantly (P intermedia cultures or C. intermedia-infested strawberry fruit. These results suggest that the volatiles of C. intermedia C410 are promising biofumigants for control of Botrytis fruit rot of strawberry.

  13. Comparative study of volatile oil content and antimicrobial activity of pecan cultivars growing in Egypt.

    Science.gov (United States)

    El Hawary, Seham S; Zaghloul, Soumaya S; El Halawany, Ali M; El Bishbishy, Mahitab H

    2013-11-01

    The volatile oils obtained from the leaves of four pecan cultivars growing in Egypt were evaluated for their chemical composition and antimicrobial activity. The selected cultivars (cv.) were Carya illinoinensis (Wangneh.) K. Koch. cv. Wichita, C. illinoinensis cv. Western Schley, C. illinoinensis cv. Cherokee, and C. illinoinensis cv. Sioux. The gas chromatography-mass spectrometry analyses revealed that the volatile oils from samples of the different cultivars differ in composition and percentage of their components. β-Curcumene was found as the major constituent of the cv. Wichita oil, whereas germacrene D was the major component of cv. Sioux, cv. Cherokee, and cv. Western Schley. The antimicrobial activity was assayed using the Kirby-Bauer Method by measuring the zone of inhibition of growth. All volatile oils displayed an antimicrobial activity against the tested bacterial strains. On the other hand, only the volatile oil of cv. Wichita showed an antifungal effect on Aspergillus flavus. This work has identified candidates of volatile oils for future in vivo studies to develop antibiotic substitutes for the diminution of human and animal pathogenic bacteria. Nevertheless, the variations of the volatile oil components and antimicrobial potencies of the different studied cultivars, necessitate identifying the cultivars used in future studies.

  14. Cost Linkages Transmit Volatility Across Markets

    DEFF Research Database (Denmark)

    Nguyen, Daniel Xuyen; Schaur, Georg

    We present and test a model relating a firm's idiosyncratic cost, its exporting status, and the volatilities of its domestic and export sales. In prior models of trade, supply costs for domestic and exports were linear and thus additively separable. We introduce a nonlinear cost function in order...... to link the domestic and export supply costs. This theoretical contribution has two new implications for the exporting firm. First, the demand volatility in the foreign market now directly affects the firm's domestic sales volatility. Second, firms hedge domestic demand volatility with exports. The model...... has several testable predictions. First, larger firms have lower total and domestic sales volatilities. Second, foreign market volatility increases domestic sales volatilities for exporters. Third, exporters allocate output across both markets in order to reduce total sales volatility. We find...

  15. Time-Varying Periodicity in Intraday Volatility

    DEFF Research Database (Denmark)

    Andersen, Torben Gustav; Thyrsgaard, Martin; Todorov, Viktor

    We develop a nonparametric test for deciding whether return volatility exhibits time-varying intraday periodicity using a long time-series of high-frequency data. Our null hypothesis, commonly adopted in work on volatility modeling, is that volatility follows a stationary process combined...... with a constant time-of-day periodic component. We first construct time-of-day volatility estimates and studentize the high-frequency returns with these periodic components. If the intraday volatility periodicity is invariant over time, then the distribution of the studentized returns should be identical across...... with estimating volatility moments through their sample counterparts. Critical values are computed via easy-to-implement simulation. In an empirical application to S&P 500 index returns, we find strong evidence for variation in the intraday volatility pattern driven in part by the current level of volatility...

  16. Effect of gamma radiation on the content β-carotene and volatile compounds of cantaloupe melon

    International Nuclear Information System (INIS)

    Souza, Stefania P. de; Cardozo, Monique; Lima, Keila dos S.C.; Lima, Antonio L. dos S.

    2011-01-01

    The Japanese melon or cantaloupe (Cucumis melo L.) is characterized by fruits with almost 1.0 Kg, pulp usually salmon and musky scent. The fruits when ripe are sensitive to post harvest handling. This low transport resistance and reduced shelf-life makes it necessary to delay the ripening of fruit. In this way the use of irradiation technique is a good choice. Irradiation is the process of exposing food to high doses of gamma rays. The processing of fruits and vegetables with ionizing radiation has as main purpose to ensure its preservation. However, like other forms of food processing, irradiation may cause changes in chemical composition and nutritional value. This study aims to assess possible changes in carotene content and volatile compounds caused by exposure of cantaloupe melon fruit to gamma irradiation. Irradiation of the samples occurred in Centro Tecnologico do Exercito (Guaratiba-RJ), using Gamma irradiator (Cs 137 source, dose rate 1.8 kGy/h), being applied 0.5 and 1.0 kGy doses and separated a control group not irradiated. Carotenoids were extracted with acetone and then suffered partition to petroleum ether, solvent was removed under nitrogen flow and the remainder dissolved in acetone again. The chromatographic analysis was performed using a Shimadzu gas chromatograph, with C30 column. For volatile compounds, we used gas chromatography (GC) associated with mass (MS). As a result, it was verified in analysis of carotenoids that cantaloupe melon is rich in β-carotene. Both total content of carotenoids and specific β-carotene amount wasn't suffer significant reduction in irradiated fruits at two doses, demonstrating that the irradiation process under these conditions implies a small loss of nutrients. The major volatile compounds were: 2-methyl-1-butyl acetate, ethyl hexanoate, n-hexyl acetate, benzyl acetate, 6-nonenyl acetate and α -terpinyl acetate. For all compounds we observed an increase in the volatile content in 0.5 kGy ranging from 0.8 to 9

  17. Effect of gamma radiation on the content {beta}-carotene and volatile compounds of cantaloupe melon

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Stefania P. de; Cardozo, Monique; Lima, Keila dos S.C.; Lima, Antonio L. dos S., E-mail: keila@ime.eb.br, E-mail: santoslima@ime.eb.br [Departamento de Quimica - IME - Instituto Militar de Engenharia, RJ (Brazil)

    2011-07-01

    The Japanese melon or cantaloupe (Cucumis melo L.) is characterized by fruits with almost 1.0 Kg, pulp usually salmon and musky scent. The fruits when ripe are sensitive to post harvest handling. This low transport resistance and reduced shelf-life makes it necessary to delay the ripening of fruit. In this way the use of irradiation technique is a good choice. Irradiation is the process of exposing food to high doses of gamma rays. The processing of fruits and vegetables with ionizing radiation has as main purpose to ensure its preservation. However, like other forms of food processing, irradiation may cause changes in chemical composition and nutritional value. This study aims to assess possible changes in carotene content and volatile compounds caused by exposure of cantaloupe melon fruit to gamma irradiation. Irradiation of the samples occurred in Centro Tecnologico do Exercito (Guaratiba-RJ), using Gamma irradiator (Cs{sub 137} source, dose rate 1.8 kGy/h), being applied 0.5 and 1.0 kGy doses and separated a control group not irradiated. Carotenoids were extracted with acetone and then suffered partition to petroleum ether, solvent was removed under nitrogen flow and the remainder dissolved in acetone again. The chromatographic analysis was performed using a Shimadzu gas chromatograph, with C30 column. For volatile compounds, we used gas chromatography (GC) associated with mass (MS). As a result, it was verified in analysis of carotenoids that cantaloupe melon is rich in {beta}-carotene. Both total content of carotenoids and specific {beta}-carotene amount wasn't suffer significant reduction in irradiated fruits at two doses, demonstrating that the irradiation process under these conditions implies a small loss of nutrients. The major volatile compounds were: 2-methyl-1-butyl acetate, ethyl hexanoate, n-hexyl acetate, benzyl acetate, 6-nonenyl acetate and {alpha} -terpinyl acetate. For all compounds we observed an increase in the volatile content in 0.5 k

  18. Monitoring volatile anaesthetic agents

    International Nuclear Information System (INIS)

    Russell, W.J.

    2000-01-01

    Full text: The methods that have been used for monitoring volatile anaesthetic agents depend on some physical property such as Density, Refractometry, Mass, Solubility, Raman scattering, or Infra-red absorption. Today, refractometry and infra-red techniques are the most common. Refractometry is used for the calibration of vaporizers. All anaesthetic agents increase the refractive index of the carrier gas. Provided the mixture is known then the refractive change measures the concentration of the volatile anaesthetic agent. Raman Scattering is when energy hits a molecule a very small fraction of the energy is absorbed and re-emitted at one or more lower frequencies. The shift in frequency is a function of the chemical bonds and is a fingerprint of the substance irradiated. Electromagnetic (Infra-red) has been the commonest method of detection of volatile agents. Most systems use a subtractive system, i.e. the agent in the sampling cell absorbed some of the infrared energy and the photo-detector therefore received less energy. A different approach is where the absorbed energy is converted into a pressure change and detected as sound (Acoustic monitor). This gives a more stable zero reference. More recently, the detector systems have used multiple narrow-band wavelengths in the infrared bands and by shape matching or matrix computing specific agent identification is achieved and the concentration calculated. In the early Datex AS3 monitors, a spectral sweep across the 3 micron infrared band was used to create spectral fingerprints. The recently released AS3 monitors use a different system with five very narrow band filters in the 8-10 micron region. The transmission through each of these filters is a value in a matrix which is solved by a micro computer to identify the agent and its concentration. These monitors can assist in improving the safety and efficiency of our anaesthetics but do not ensure that the patient is completely anaesthetized. Copyright (2000

  19. Monitoring volatile anaesthetic agents

    Energy Technology Data Exchange (ETDEWEB)

    Russell, W J [Royal Adelaide Hospital, SA (Australia). Department of Anaesthesia and Intensive Care

    2000-12-01

    Full text: The methods that have been used for monitoring volatile anaesthetic agents depend on some physical property such as Density, Refractometry, Mass, Solubility, Raman scattering, or Infra-red absorption. Today, refractometry and infra-red techniques are the most common. Refractometry is used for the calibration of vaporizers. All anaesthetic agents increase the refractive index of the carrier gas. Provided the mixture is known then the refractive change measures the concentration of the volatile anaesthetic agent. Raman Scattering is when energy hits a molecule a very small fraction of the energy is absorbed and re-emitted at one or more lower frequencies. The shift in frequency is a function of the chemical bonds and is a fingerprint of the substance irradiated. Electromagnetic (Infra-red) has been the commonest method of detection of volatile agents. Most systems use a subtractive system, i.e. the agent in the sampling cell absorbed some of the infrared energy and the photo-detector therefore received less energy. A different approach is where the absorbed energy is converted into a pressure change and detected as sound (Acoustic monitor). This gives a more stable zero reference. More recently, the detector systems have used multiple narrow-band wavelengths in the infrared bands and by shape matching or matrix computing specific agent identification is achieved and the concentration calculated. In the early Datex AS3 monitors, a spectral sweep across the 3 micron infrared band was used to create spectral fingerprints. The recently released AS3 monitors use a different system with five very narrow band filters in the 8-10 micron region. The transmission through each of these filters is a value in a matrix which is solved by a micro computer to identify the agent and its concentration. These monitors can assist in improving the safety and efficiency of our anaesthetics but do not ensure that the patient is completely anaesthetized. Copyright (2000

  20. Metal-organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents.

    Science.gov (United States)

    Bobbitt, N Scott; Mendonca, Matthew L; Howarth, Ashlee J; Islamoglu, Timur; Hupp, Joseph T; Farha, Omar K; Snurr, Randall Q

    2017-06-06

    Owing to the vast diversity of linkers, nodes, and topologies, metal-organic frameworks can be tailored for specific tasks, such as chemical separations or catalysis. Accordingly, these materials have attracted significant interest for capture and/or detoxification of toxic industrial chemicals and chemical warfare agents. In this paper, we review recent experimental and computational work pertaining to the capture of several industrially-relevant toxic chemicals, including NH 3 , SO 2 , NO 2 , H 2 S, and some volatile organic compounds, with particular emphasis on the challenging issue of designing materials that selectively adsorb these chemicals in the presence of water. We also examine recent research on the capture and catalytic degradation of chemical warfare agents such as sarin and sulfur mustard using metal-organic frameworks.

  1. Different commercial yeast strains affecting the volatile and sensory profile of cava base wine.

    Science.gov (United States)

    Torrens, Jordi; Urpí, Pilar; Riu-Aumatell, Montserrat; Vichi, Stefania; López-Tamames, Elvira; Buxaderas, Susana

    2008-05-10

    36 semi-industrial fermentations were carried out with 6 different yeast strains in order to assess differences in the wines' chemical and volatile profile. Two of the tested strains (Y3 and Y6) showed the fastest fermentation rates throughout 3 harvests and on 2 grape varieties. The wines fermented by three of the tested strains (Y5, Y3 and Y4) stand out for their high amounts of esters and possessed the highest fruity character. Wines from strains producing low amounts of esters and high concentrations of medium chain fatty acids, higher alcohols and six-carbon alcohols were the least appreciated at the sensory analysis. The data obtained in the present study show how the yeast strain quantitatively affects the final chemical and volatile composition of cava base wines and have repercussions on their sensory profile, independently of must variety and harvest year.

  2. Bias correction in the realized stochastic volatility model for daily volatility on the Tokyo Stock Exchange

    Science.gov (United States)

    Takaishi, Tetsuya

    2018-06-01

    The realized stochastic volatility model has been introduced to estimate more accurate volatility by using both daily returns and realized volatility. The main advantage of the model is that no special bias-correction factor for the realized volatility is required a priori. Instead, the model introduces a bias-correction parameter responsible for the bias hidden in realized volatility. We empirically investigate the bias-correction parameter for realized volatilities calculated at various sampling frequencies for six stocks on the Tokyo Stock Exchange, and then show that the dynamic behavior of the bias-correction parameter as a function of sampling frequency is qualitatively similar to that of the Hansen-Lunde bias-correction factor although their values are substantially different. Under the stochastic diffusion assumption of the return dynamics, we investigate the accuracy of estimated volatilities by examining the standardized returns. We find that while the moments of the standardized returns from low-frequency realized volatilities are consistent with the expectation from the Gaussian variables, the deviation from the expectation becomes considerably large at high frequencies. This indicates that the realized stochastic volatility model itself cannot completely remove bias at high frequencies.

  3. Forecasting volatility of crude oil markets

    International Nuclear Information System (INIS)

    Kang, Sang Hoon; Kang, Sang-Mok; Yoon, Seong-Min

    2009-01-01

    This article investigates the efficacy of a volatility model for three crude oil markets - Brent, Dubai, and West Texas Intermediate (WTI) - with regard to its ability to forecast and identify volatility stylized facts, in particular volatility persistence or long memory. In this context, we assess persistence in the volatility of the three crude oil prices using conditional volatility models. The CGARCH and FIGARCH models are better equipped to capture persistence than are the GARCH and IGARCH models. The CGARCH and FIGARCH models also provide superior performance in out-of-sample volatility forecasts. We conclude that the CGARCH and FIGARCH models are useful for modeling and forecasting persistence in the volatility of crude oil prices. (author)

  4. Forecasting volatility of crude oil markets

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Sang Hoon [Department of Business Administration, Gyeongsang National University, Jinju, 660-701 (Korea); Kang, Sang-Mok; Yoon, Seong-Min [Department of Economics, Pusan National University, Busan, 609-735 (Korea)

    2009-01-15

    This article investigates the efficacy of a volatility model for three crude oil markets - Brent, Dubai, and West Texas Intermediate (WTI) - with regard to its ability to forecast and identify volatility stylized facts, in particular volatility persistence or long memory. In this context, we assess persistence in the volatility of the three crude oil prices using conditional volatility models. The CGARCH and FIGARCH models are better equipped to capture persistence than are the GARCH and IGARCH models. The CGARCH and FIGARCH models also provide superior performance in out-of-sample volatility forecasts. We conclude that the CGARCH and FIGARCH models are useful for modeling and forecasting persistence in the volatility of crude oil prices. (author)

  5. Synthetic blends of volatile, phytopathogen-induced odorants can be used to manipulate vector behavior.

    Directory of Open Access Journals (Sweden)

    Alexander eAksenov

    2014-12-01

    Full Text Available Volatile organic compounds (VOCs are emitted from all plants and these VOCs are important means of communication between plants and insects. It has been documented that pathogen infections alter VOC profiles rendering infected plants more attractive to specific vectors transmitting these pathogens than uninfected plants, thus potentially aiding in pathogen propagation. Mimicking these chemical cues might enable insect attraction away from the plant or disruption of host finding behavior of the vector. However, the practical implications have not been fully explored. We used citrus, Diaphorina citri and huanglongbing (HLB as a model host-vector-disease system because HLB threatens citrus production worldwide and is similar to other critical diseases of food crops, such as Zebra Chip affecting potato. We formulated a synthetic chemical blend using selected HLB-specific biomarker compounds, and tested the blend with the Attenu assay system for chemosensory proteins. The Attenu assay system is a procedure that identifies interactions between insect chemosensory proteins and their ligands. We found that an equimolar mixture of compounds mimicking the volatile profile of HLB-infected citrus bound chemosensory proteins. Further investigation of this blend in laboratory behavioral assays resulted in development of a synthetic lure that was more attractive to D. citri than natural citrus tree volatiles. This strategy could provide a new route to produce chemical lures for vector population control for a variety of plant and/or animal systems and it may result in the development of a practical lure for monitoring vectors of disease, such as D. citri.

  6. Rapid determination of volatile constituents in safflower from Xinjiang and Henan by ultrasonic-assisted solvent extraction and GC–MS

    Directory of Open Access Journals (Sweden)

    Ling-Han Jia

    2011-08-01

    Full Text Available The total volatile components were extracted from safflower by ultrasonic-assisted solvent extraction (USE and their chemical constituents were analyzed by gas chromatography–mass spectrometry (GC–MS to provide scientific basis for the quality control of safflower. Five different solvents (diethyl ether, ethanol, ethyl acetate, dichloromethane and acetone were used and compared in terms of number of volatile components extracted and the peak areas of these components in TIC. The results showed that USE could be used as an efficient and rapid method for extracting the volatile components from safflower. It also could be found that the number of components in the TIC of ethyl acetate extract was more than that in the TIC of other solvent ones. Meanwhile, the volatile components of safflower from Xinjiang Autonomous Region and Henan Province of China were different in chemical components and relative contents. It could be concluded that both the extraction solvents and geographical origin of safflower are responsible for these differences. The experimental results also indicated that USE/GC–MS is a simple, rapid and effective method to analyze the volatile oil components of safflower. Keywords: Safflower, Ultrasonic solvent extraction, Gas chromatography–mass spectrometry (GC–MS

  7. Ion transport by gating voltage to nanopores produced via metal-assisted chemical etching method

    Science.gov (United States)

    Van Toan, Nguyen; Inomata, Naoki; Toda, Masaya; Ono, Takahito

    2018-05-01

    In this work, we report a simple and low-cost way to create nanopores that can be employed for various applications in nanofluidics. Nano sized Ag particles in the range from 1 to 20 nm are formed on a silicon substrate with a de-wetting method. Then the silicon nanopores with an approximate 15 nm average diameter and 200 μm height are successfully produced by the metal-assisted chemical etching method. In addition, electrically driven ion transport in the nanopores is demonstrated for nanofluidic applications. Ion transport through the nanopores is observed and could be controlled by an application of a gating voltage to the nanopores.

  8. Effect of atmospheric ageing on volatility and ROS of biodiesel exhaust nano-particles

    Science.gov (United States)

    Pourkhesalian, A. M.; Stevanovic, S.; Rahman, M. M.; Faghihi, E. M.; Bottle, S. E.; Masri, A. R.; Brown, R. J.; Ristovski, Z. D.

    2015-03-01

    In the prospect of limited energy resources and climate change, effects of alternative biofuels on primary emissions are being extensively studied. Our two recent studies have shown that biodiesel fuel composition has a~significant impact on primary particulate matter emissions. It was also shown that particulate matter caused by biodiesels was substantially different from the emissions due to petroleum diesel. Emissions appeared to have higher oxidative potential with the increase in oxygen content and decrease of carbon chain length and unsaturation levels of fuel molecules. Overall, both studies concluded that chemical composition of biodiesel is more important than its physical properties in controlling exhaust particle emissions. This suggests that the atmospheric ageing processes, including secondary organic aerosol formation, of emissions from different fuels will be different as well. In this study, measurements were conducted on a modern common-rail diesel engine. To get more information on realistic properties of tested biodiesel particulate matter once they are released into the atmosphere, particulate matter was exposed to atmospheric oxidants, ozone and ultra-violet light; and the change in their properties was monitored for different biodiesel blends. Upon the exposure to oxidative agents, the chemical composition of the exhaust changes. It triggers the cascade of photochemical reactions resulting in the partitioning of semi-volatile compounds between the gas and particulate phase. In most of the cases, aging lead to the increase in volatility and oxidative potential, and the increment of change was mainly dependent on the chemical composition of fuels as the leading cause for the amount and the type of semi-volatile compounds present in the exhaust.

  9. Adsorption of volatile organic compounds by polytetra-fluor ethylene

    International Nuclear Information System (INIS)

    Martinet, J.M.

    1958-01-01

    The sorption of organic vapours by microporous polytetra-fluor ethylene has been studied gravimetrically using a Mc Bain-Baker type sorption balance. The amount of sorption, the peculiarities observed on the isotherm curves, the small influence of temperature, and smallness of hysteresis suggests that mainly physical adsorption occurs when the temperature is around 25 deg. C. The values of the surface areas obtained from the adsorption isotherms using organic vapours differ greatly from those derived from N 2 adsorption measurements. This discrepancy cannot be completely attributed to differences in the structure and chemical function of the adsorbate molecules, or to the porous structure of the adsorbent. On the contrary, the surface area values obtained by sorbing high volatile freons conform with those measured by nitrogen adsorption, which seems to imply a connection between the area of sorbed monolayers and volatility of the adsorbate. (author) [fr

  10. A review of the volatiles from the healthy human body.

    Science.gov (United States)

    de Lacy Costello, B; Amann, A; Al-Kateb, H; Flynn, C; Filipiak, W; Khalid, T; Osborne, D; Ratcliffe, N M

    2014-03-01

    A compendium of all the volatile organic compounds (VOCs) emanating from the human body (the volatolome) is for the first time reported. 1840 VOCs have been assigned from breath (872), saliva (359), blood (154), milk (256), skin secretions (532) urine (279), and faeces (381) in apparently healthy individuals. Compounds were assigned CAS registry numbers and named according to a common convention where possible. The compounds have been grouped into tables according to their chemical class or functionality to permit easy comparison. Some clear differences are observed, for instance, a lack of esters in urine with a high number in faeces. Careful use of the database is needed. The numbers may not be a true reflection of the actual VOCs present from each bodily excretion. The lack of a compound could be due to the techniques used or reflect the intensity of effort e.g. there are few publications on VOCs from blood compared to a large number on VOCs in breath. The large number of volatiles reported from skin is partly due to the methodologies used, e.g. collecting excretions on glass beads and then heating to desorb VOCs. All compounds have been included as reported (unless there was a clear discrepancy between name and chemical structure), but there may be some mistaken assignations arising from the original publications, particularly for isomers. It is the authors' intention that this database will not only be a useful database of VOCs listed in the literature, but will stimulate further study of VOCs from healthy individuals. Establishing a list of volatiles emanating from healthy individuals and increased understanding of VOC metabolic pathways is an important step for differentiating between diseases using VOCs.

  11. Isolation and characterization of total volatile components from leaves of citrus limon linn.

    Directory of Open Access Journals (Sweden)

    Kadambari Tomer

    2010-01-01

    Full Text Available The isolation of the essential oil of whole fresh leaves of Citrus lemon by steam distillation is described. The chemical composition of the oil was investigated by means of Gas-Liquid Chromatography (GLC, Column Chromatography (CC and coupled Gas Chromatography-Mass Spectrometry (GC-MS. The 27 most important volatile components were identified. The volatile components were identified by comparing their retention times of GC chromatograph with those of literature. Further identification was done by GC- MS. The components of the oil, percentage of each constituent, their RI values and their Eight Peak Index were also summarized and reviewed with standard available literature.

  12. Host habitat assessment by a parasitoid using fungal volatiles

    Directory of Open Access Journals (Sweden)

    Steidle Johannes LM

    2007-02-01

    Full Text Available Abstract Background The preference – performance hypothesis predicts that oviposition preference of insects should correlate with host suitability for offspring development. Therefore, insect females have to be able to assess not only the quality of a given host but also the environmental conditions of the respective host habitat. Chemical cues are a major source of information used by insects for this purpose. Primary infestation of stored grain by stored product pests often favors the intense growth of mold. This can lead to distinct sites of extreme environmental conditions (hot-spots with increased insect mortality. We studied the influence of mold on chemical orientation, host recognition, and fitness of Lariophagus distinguendus, a parasitoid of beetle larvae developing in stored grain. Results Volatiles of wheat infested by Aspergillus sydowii and A. versicolor repelled female parasitoids in an olfactometer. Foraging L. distinguendus females are known to be strongly attracted to the odor of larval host feces from the granary weevil Sitophilus granarius, which may adhere in remarkable amounts to the surface of the grains. Feces from moldy weevil cultures elicited neutral responses but parasitoids clearly avoided moldy feces when non-moldy feces were offered simultaneously. The common fungal volatile 1-octen-3-ol was the major component of the odor of larval feces from moldy weevil cultures and repelled female parasitoids at naturally occurring doses. In bioassays investigating host recognition behavior of L. distinguendus, females spent less time on grains containing hosts from moldy weevil cultures and showed less drumming and drilling behavior than on non-moldy controls. L. distinguendus had a clearly reduced fitness on hosts from moldy weevil cultures. Conclusion We conclude that L. distinguendus females use 1-octen-3-ol for host habitat assessment to avoid negative fitness consequences due to secondary mold infestation of host

  13. Lagrangian transport model forecasts and a transport climatology for the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) measurement campaign

    Science.gov (United States)

    Forster, Caroline; Cooper, Owen; Stohl, Andreas; Eckhardt, Sabine; James, Paul; Dunlea, Edward; Nicks, Dennis K.; Holloway, John S.; Hübler, Gerd; Parrish, David D.; Ryerson, Tom B.; Trainer, Michael

    2004-04-01

    On the basis of Lagrangian tracer transport simulations this study presents an intercontinental transport climatology and tracer forecasts for the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) aircraft measurement campaign, which took place at Monterey, California, in April-May 2002 to measure Asian pollution arriving at the North American West Coast. For the climatology the average transport of an Asian CO tracer was calculated over a time period of 15 years using the particle dispersion model FLEXPART. To determine by how much the transport from Asia to North America during ITCT 2K2 deviated from the climatological mean, the 15-year average for April and May was compared with the average for April and May 2002 and that for the ITCT 2K2 period. It was found that 8% less Asian CO tracer arrived at the North American West Coast during the ITCT 2K2 period compared to the climatological mean. Below 8-km altitude, the maximum altitude of the research aircraft, 13% less arrived. Nevertheless, pronounced layers of Asian pollution were measured during 3 of the 13 ITCT 2K2 flights. FLEXPART was also successfully used as a forecasting tool for the flight planning during ITCT 2K2. It provided 3-day forecasts for three different anthropogenic CO tracers originating from Asia, North America, and Europe. In two case studies the forecast abilities of FLEXPART are analyzed and discussed by comparing the forecasts with measurement data and infrared satellite images. The model forecasts underestimated the measured CO enhancements by about a factor of 4, mainly because of an underestimation of the Asian emissions in the emission inventory and because of biomass-burning influence that was not modeled. Nevertheless, the intercontinental transport and dispersion of pollution plumes were qualitatively well predicted, and on the basis of the model results the aircraft could successfully be guided into the polluted air masses.

  14. Chemical control and design considerations for CANDU-PHW steam generators

    International Nuclear Information System (INIS)

    Frost, C.R.; Churchill, B.R.

    1978-01-01

    Ontario Hydro presently operates eight nuclear power units with a total capacitiy of about 4000 MW(e) net. Operating experience has been with Monel-400 and with Inconel-600 tubed steam generators using sodium phosphate or all volatile control of the boiler steam and water system. With a heavy water Heat Transport System, steam generator tube integrity is an essential ingredient of economical power production. Only three steam generator tube failures have occurred so far in about 40 unit-years operation. None was attributable to corrosion. Factors in the good reliability are, careful engineering design, good quality control at all stages of tubing and steam generator manufacture and close chemical control. The continuing evolution of our steam generator design means that future requirements will be more stringent. (author)

  15. Thermo-Chemical Conversion of Microwave Activated Biomass Mixtures

    Science.gov (United States)

    Barmina, I.; Kolmickovs, A.; Valdmanis, R.; Vostrikovs, S.; Zake, M.

    2018-05-01

    Thermo-chemical conversion of microwave activated wheat straw mixtures with wood or peat pellets is studied experimentally with the aim to provide more effective application of wheat straw for heat energy production. Microwave pre-processing of straw pellets is used to provide a partial decomposition of the main constituents of straw and to activate the thermo-chemical conversion of wheat straw mixtures with wood or peat pellets. The experimental study includes complex measurements of the elemental composition of biomass pellets (wheat straw, wood, peat), DTG analysis of their thermal degradation, FTIR analysis of the composition of combustible volatiles entering the combustor, the flame temperature, the heat output of the device and composition of the products by comparing these characteristics for mixtures with unprocessed and mw pre-treated straw pellets. The results of experimental study confirm that mw pre-processing of straw activates the thermal decomposition of mixtures providing enhanced formation of combustible volatiles. This leads to improvement of the combustion conditions in the flame reaction zone, completing thus the combustion of volatiles, increasing the flame temperature, the heat output from the device, the produced heat energy per mass of burned mixture and decreasing at the same time the mass fraction of unburned volatiles in the products.

  16. Size distributions of non-volatile particle residuals (Dp<800 nm at a rural site in Germany and relation to air mass origin

    Directory of Open Access Journals (Sweden)

    T. Tuch

    2007-11-01

    Full Text Available Atmospheric aerosol particle size distributions at a continental background site in Eastern Germany were examined for a one-year period. Particles were classified using a twin differential mobility particle sizer in a size range between 3 and 800 nm. As a novelty, every second measurement of this experiment involved the removal of volatile chemical compounds in a thermodenuder at 300°C. This concept allowed to quantify the number size distribution of non-volatile particle cores – primarily associated with elemental carbon, and to compare this to the original non-conditioned size distribution. As a byproduct of the volatility analysis, new particles originating from nucleation inside the thermodenuder can be observed, however, overwhelmingly at diameters below 6 nm. Within the measurement uncertainty, every particle down to particle sizes of 15 nm is concluded to contain a non-volatile core. The volume fraction of non-volatile particulate matter (non-conditioned diameter < 800 nm varied between 10 and 30% and was largely consistent with the experimentally determined mass fraction of elemental carbon. The average size of the non-volatile particle cores was estimated as a function of original non-conditioned size using a summation method, which showed that larger particles (>200 nm contained more non-volatile compounds than smaller particles (<50 nm, thus indicating a significantly different chemical composition. Two alternative air mass classification schemes based on either, synoptic chart analysis (Berliner Wetterkarte or back trajectories showed that the volume and number fraction of non-volatile cores depended less on air mass than the total particle number concentration. In all air masses, the non-volatile size distributions showed a more and a less volatile ("soot" mode, the latter being located at about 50 nm. During unstable conditions and in maritime air masses, smaller values were observed compared to stable or continental conditions

  17. MATRIX-VBS (v1.0): Implementing an Evolving Organic Aerosol Volatility in an Aerosol Microphysics Model

    Science.gov (United States)

    Gao, Chloe Y.; Tsigaridis, Kostas; Bauer, Susanne E.

    2017-01-01

    The gas-particle partitioning and chemical aging of semi-volatile organic aerosol are presented in a newly developed box model scheme, where its effect on the growth, composition, and mixing state of particles is examined. The volatility-basis set (VBS) framework is implemented into the aerosol microphysical scheme MATRIX (Multiconfiguration Aerosol TRacker of mIXing state), which resolves mass and number aerosol concentrations and in multiple mixing-state classes. The new scheme, MATRIX-VBS, has the potential to significantly advance the representation of organic aerosols in Earth system models by improving upon the conventional representation as non-volatile particulate organic matter, often also with an assumed fixed size distribution. We present results from idealized cases representing Beijing, Mexico City, a Finnish forest, and a southeastern US forest, and investigate the evolution of mass concentrations and volatility distributions for organic species across the gas and particle phases, as well as assessing their mixing state among aerosol populations. Emitted semi-volatile primary organic aerosols evaporate almost completely in the intermediate-volatility range, while they remain in the particle phase in the low-volatility range. Their volatility distribution at any point in time depends on the applied emission factors, oxidation by OH radicals, and temperature. We also compare against parallel simulations with the original scheme, which represented only the particulate and non-volatile component of the organic aerosol, examining how differently the condensed-phase organic matter is distributed across the mixing states in the model. The results demonstrate the importance of representing organic aerosol as a semi-volatile aerosol, and explicitly calculating the partitioning of organic species between the gas and particulate phases.

  18. Alternative Asymmetric Stochastic Volatility Models

    NARCIS (Netherlands)

    M. Asai (Manabu); M.J. McAleer (Michael)

    2010-01-01

    textabstractThe stochastic volatility model usually incorporates asymmetric effects by introducing the negative correlation between the innovations in returns and volatility. In this paper, we propose a new asymmetric stochastic volatility model, based on the leverage and size effects. The model is

  19. Herbivore-induced volatile production by Arabidopsis thaliana leads to attraction of the parasitoid Cotesia rubecula: chemical, behavioral, and gene-expression analysis

    NARCIS (Netherlands)

    Poecke, R.M.P.; Posthumus, M.A.; Dicke, M.

    2001-01-01

    Many plant species defend themselves against herbivorous insects indirectly by producing volatiles in response to herbivory. These volatiles attract carnivorous enemies of the herbivores. Research on the model plant Arabidopsis thaliana (L.) Heynh. has contributed considerably to the unraveling of

  20. Constraining the volatile fraction of planets from transit observations

    Science.gov (United States)

    Alibert, Y.

    2016-06-01

    Context. The determination of the abundance of volatiles in extrasolar planets is very important as it can provide constraints on transport in protoplanetary disks and on the formation location of planets. However, constraining the internal structure of low-mass planets from transit measurements is known to be a degenerate problem. Aims: Using planetary structure and evolution models, we show how observations of transiting planets can be used to constrain their internal composition, in particular the amount of volatiles in the planetary interior, and consequently the amount of gas (defined in this paper to be only H and He) that the planet harbors. We first explore planets that are located close enough to their star to have lost their gas envelope. We then concentrate on planets at larger distances and show that the observation of transiting planets at different evolutionary ages can provide statistical information on their internal composition, in particular on their volatile fraction. Methods: We computed the evolution of low-mass planets (super-Earths to Neptune-like) for different fractions of volatiles and gas. We used a four-layer model (core, silicate mantle, icy mantle, and gas envelope) and computed the internal structure of planets for different luminosities. With this internal structure model, we computed the internal and gravitational energy of planets, which was then used to derive the time evolution of the planet. Since the total energy of a planet depends on its heat capacity and density distribution and therefore on its composition, planets with different ice fractions have different evolution tracks. Results: We show for low-mass gas-poor planets that are located close to their central star that assuming evaporation has efficiently removed the entire gas envelope, it is possible to constrain the volatile fraction of close-in transiting planets. We illustrate this method on the example of 55 Cnc e and show that under the assumption of the absence of

  1. Simulating the Fate and Transport of Coal Seam Gas Chemicals in Variably-Saturated Soils Using HYDRUS

    Directory of Open Access Journals (Sweden)

    Dirk Mallants

    2017-05-01

    Full Text Available The HYDRUS-1D and HYDRUS (2D/3D computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this paper is to provide a brief overview of the HYDRUS models and their add-on modules, and to demonstrate possible applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the soil. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the HP1 module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in a soil leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration in soil is complexation of

  2. Risk assessment framework of fate and transport models applied to hazardous waste sites

    International Nuclear Information System (INIS)

    Hwang, S.T.

    1993-06-01

    Risk assessment is an increasingly important part of the decision-making process in the cleanup of hazardous waste sites. Despite guidelines from regulatory agencies and considerable research efforts to reduce uncertainties in risk assessments, there are still many issues unanswered. This paper presents new research results pertaining to fate and transport models, which will be useful in estimating exposure concentrations and will help reduce uncertainties in risk assessment. These developments include an approach for (1) estimating the degree of emissions and concentration levels of volatile pollutants during the use of contaminated water, (2) absorption of organic chemicals in the soil matrix through the skin, and (3) steady state, near-field, contaminant concentrations in the aquifer within a waste boundary

  3. Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms.

    Science.gov (United States)

    de Pinho, P Guedes; Ribeiro, Bárbara; Gonçalves, Rui F; Baptista, Paula; Valentão, Patrícia; Seabra, Rosa M; Andrade, Paula B

    2008-03-12

    Volatile and semivolatile components of 11 wild edible mushrooms, Suillus bellini, Suillus luteus, Suillus granulatus, Tricholomopsis rutilans, Hygrophorus agathosmus, Amanita rubescens, Russula cyanoxantha, Boletus edulis, Tricholoma equestre, Fistulina hepatica, and Cantharellus cibarius, were determined by headspace solid-phase microextraction (HS-SPME) and by liquid extraction combined with gas chromatography-mass spectrometry (GC-MS). Fifty volatiles and nonvolatiles components were formally identified and 13 others were tentatively identified. Using sensorial analysis, the descriptors "mushroomlike", "farm-feed", "floral", "honeylike", "hay-herb", and "nutty" were obtained. A correlation between sensory descriptors and volatiles was observed by applying multivariate analysis (principal component analysis and agglomerative hierarchic cluster analysis) to the sensorial and chemical data. The studied edible mushrooms can be divided in three groups. One of them is rich in C8 derivatives, such as 3-octanol, 1-octen-3-ol, trans-2-octen-1-ol, 3-octanone, and 1-octen-3-one; another one is rich in terpenic volatile compounds; and the last one is rich in methional. The presence and contents of these compounds give a considerable contribution to the sensory characteristics of the analyzed species.

  4. Influence of season, harvest time and drying on Java citronella (Cymbopogon winterianus Jowitt volatile oil

    Directory of Open Access Journals (Sweden)

    Arie F. Blank

    Full Text Available Java citronella (Cymbopogon winterianus Jowitt is member of the Poaceae family. Java citronella volatile oil has been reported to be among the volatile oils, showing repellent, antimycotic, and acaricide activities. It has been known that agronomical factors have a great effect on both the quality and quantity of essential metabolites. For this reason, it is necessary to determine optimum levels of agronomical factors affecting plant growth and production. Harvest time and drying are very important agronomical factors. This study has been conducted in the Research farm of the " Universidade Federal de Sergipe" , Agronomical Engineering Department along 2002-2003 on the base of factorial experiment in randomized complete block design with three replications. Java citronella was cultivated in a 60 x 60 cm space. Early, midday, and late harvest at 9:00 h, 12:00 h, and 15:00 h were conducted on four different seasons. Fresh and dried leaves were used on the experiments. In order to study the effects of harvest time and drying, yields of dry and fresh herbage (kg/ha, moisture content (%, volatile oil content (% and yield (L/ha, and chemical composition of the volatile oil were measured. Seasonal changes had significant effect on yield of fresh herbage, yield and volatile oil content. Maximum volatile oil yields were observed at 9:00 during summer, winter, and spring. Volatile oil content was influenced by season and drying, but not influenced by harvest time.

  5. EPN Chemical ecology and new techniques for below ground sampling and analyses of volatile semiochemicals

    Science.gov (United States)

    It is well established that herbivory induced plant volatiles (HIPVs) attract natural enemies of the herbivores. Utilizing this plant response has become a fundamental part of above ground IPM programs. We now know that also roots can release HIPVs and that these compounds attract beneficial organis...

  6. Increase in volatilization of organic compounds using air sparging through addition in alcohol in a soil-water system.

    Science.gov (United States)

    Chao, Huan-Ping; Hsieh, Lin-Han Chiang; Tran, Hai Nguyen

    2018-02-15

    This study developed a novel method to promote the remediation efficiency of air sparging. According to the enhanced-volatilization theory presented in this study, selected alcohols added to groundwater can highly enhance the volatilization amounts of organic compounds with high Henry's law constants. In this study, the target organic compounds consisted of n-hexane, n-heptane, benzene, toluene, 1,1,2-trichloroethane, and tetrachloroethene. n-pentanol, n-hexanol, and n-heptanol were used to examine the changes in the volatilization amounts of organic compounds in the given period. Two types of soils with high and low organic matter were applied to evaluate the transport of organic compounds in the soil-water system. The volatilization amounts of the organic compounds increased with increasing alcohol concentrations. The volatilization amounts of the test organic compounds exhibited a decreasing order: n-heptanol>n-hexanol>n-pentanol. When 10mg/L n-heptanol was added to the system, the maximum volatilization enhancement rate was 18-fold higher than that in distilled water. Samples of soil with high organic matter might reduce the volatilization amounts by a factor of 5-10. In the present study, the optimal removal efficiency for aromatic compounds was approximately 98%. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Properties of zinc selenide grown by chemical vapor transport and its application to room-temperature radiation detection

    International Nuclear Information System (INIS)

    Brunett, B.A.; Toney, J.E.; Schlesinger, T.E.; Yoon, H.; Goorsky, M.S.; Rudolph, P.

    1998-01-01

    The authors have characterized ZnSe material grown by chemical vapor transport in iodine using triple-axis X-ray diffraction (TAD), photo-induced current transient spectroscopy (PICTS), photoluminescence (PL), current-voltage measurements and gamma-ray spectroscopy. The material was found to have inadequate carrier transport for nuclear spectrometer use, but there was a discernible difference in performance between crystals which could be correlated with crystallinity as determined by the TAD rocking curves

  8. Selective Trapping of Volatile Fission Products with an Off-Gas Treatment System

    Energy Technology Data Exchange (ETDEWEB)

    B.R. Westphal; J.J. Park; J.M. Shin; G.I. Park; K.J. Bateman; D.L. Wahlquist

    2008-07-01

    A head-end processing step, termed DEOX for its emphasis on decladding via oxidation, is being developed for the treatment of spent oxide fuel by pyroprocessing techniques. The head-end step employs high temperatures to oxidize UO2 to U3O8 resulting in the separation of fuel from cladding and the removal of volatile fission products. Development of the head-end step is being performed in collaboration with the Korean Atomic Energy Research Institute (KAERI) through an International Nuclear Energy Research Initiative. Following the initial experimentation for the removal of volatile fission products, an off-gas treatment system was designed in conjunction with KAERI to collect specific fission gases. The primary volatile species targeted for trapping were iodine, technetium, and cesium. Each species is intended to be collected in distinct zones of the off-gas system and within those zones, on individual filters. Separation of the volatile off-gases is achieved thermally as well as chemically given the composition of the filter media. A description of the filter media and a basis for its selection will be given along with the collection mechanisms and design considerations. In addition, results from testing with the off-gas treatment system will be presented.

  9. Biomimicry of volatile-based microbial control for managing emerging fungal pathogens.

    Science.gov (United States)

    Gabriel, K T; Joseph Sexton, D; Cornelison, C T

    2018-05-01

    Volatile organic compounds (VOCs) are known to be produced by a wide range of micro-organisms and for a number of purposes. Volatile-based microbial inhibition in environments such as soil is well-founded, with numerous antimicrobial VOCs having been identified. Inhibitory VOCs are of interest as microbial control agents, as low concentrations of gaseous VOCs can elicit significant antimicrobial effects. Volatile organic compounds are organic chemicals typically characterized as having low molecular weight, low solubility in water, and high vapour pressure. Consequently, VOCs readily evaporate to the gaseous phase at standard temperature and pressure. This contact-independent antagonism presents unique advantages over traditional, contact-dependent microbial control methods, including increased surface exposure and reduced environmental persistence. This approach has been the focus of our recent research, with positive results suggesting it may be particularly promising for the management of emerging fungal pathogens, such as the causative agents of white-nose syndrome of bats and snake fungal disease, which are difficult or impossible to treat using traditional approaches. Here, we review the history of volatile-based microbial control, discuss recent progress in formulations that mimic naturally antagonistic VOCs, outline the development of a novel treatment device, and highlight areas where further work is needed to successfully deploy VOCs against existing and emerging fungal pathogens. © 2017 The Society for Applied Microbiology.

  10. An elevated pro-inflammatory cytokine profile in multiple chemical sensitivity

    DEFF Research Database (Denmark)

    Dantoft, Thomas Meinertz; Elberling, J.; Brix, Susanne

    2014-01-01

    BackgroundMultiple chemical sensitivity (MCS) is a medically unexplained condition characterized by reports of recurrent unspecific symptoms attributed to exposure to low levels of common volatile chemicals. The etiology of MCS is poorly understood, but dysregulation of the immune system has been...

  11. High pressure treatments accelerate changes in volatile composition of sulphur dioxide-free wine during bottle storage.

    Science.gov (United States)

    Santos, Mickael C; Nunes, Cláudia; Rocha, M Angélica M; Rodrigues, Ana; Rocha, Sílvia M; Saraiva, Jorge A; Coimbra, Manuel A

    2015-12-01

    The impact of high hydrostatic pressure (HHP) treatments on volatile composition of sulphur dioxide-free wines during bottle storage was studied. For this purpose, white and red wines were produced without sulphur dioxide (SO2) and, at the end of the alcoholic fermentation, the wines were pressurised at 500 MPa and 425 MPa for 5 min. Wine with 40 ppm of SO2 and a wine without a preservation treatment were used as controls. More than 160 volatile compounds, distributed over 12 chemical groups, were identified in the wines by an advanced gas chromatography technique. The pressurised wines contained a higher content of furans, aldehydes, ketones, and acetals, compared with unpressurised wines after 9 months of storage. The changes in the volatile composition indicate that HHP treatments accelerated the Maillard reaction, and alcohol and fatty acid oxidation, leading to wines with a volatile composition similar to those of faster aged and/or thermally treated wines. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Characterization of volatiles in Beaten cheeses (bieno sirenje by SPME/GC-MC: Influence of geographical origin

    Directory of Open Access Journals (Sweden)

    Sulejmani Erhan

    2014-01-01

    Full Text Available In this study, the volatile profiles of a type of economically important cheeses for the FYR Macedonian dairy sector were characterized. A total of eighteen samples belonged to 6 different geographical regions of Beaten cheese, including cheeses from Kumanovo, Tetovo, Struga, Resen, Veles and Radovish were comparatively studied for their volatile profiles. Sixty two volatile compounds were identified in the cheeses by solid-phase microextraction combined with gas chromatography-mass spectrometry and the results are discussed based on their chemical classes (18 esters, 13 ketones, 10 acids, 8 alcohols, 5 terpenes, and 8 miscellaneous compounds. Acids, esters and alcohols were the most abundant classes identified and were highly dependent on the geographical origin of cheeses. Beaten cheese from Struga had the highest levels of carboxylic acids, ketones, alcohols, esters and terpenes. The Beaten cheese from other geographical origin had low levels of volatiles probably from the effect of variable characteristics of used milk and different cheese making process which affects the biochemical processes. The results suggest that each cheese from different geographical regions had different volatiles profile and the manufacturing technique as well as the ripening stage of the cheeses played a major role on the volatile compounds’ distribution.

  13. Estimation of volatile organic compound emissions for Europe using data assimilation

    Directory of Open Access Journals (Sweden)

    M. R. Koohkan

    2013-06-01

    Full Text Available The emissions of non-methane volatile organic compounds (VOCs over western Europe for the year 2005 are estimated via inverse modelling by assimilation of in situ observations of concentration and then subsequently compared to a standard emission inventory. The study focuses on 15 VOC species: five aromatics, six alkanes, two alkenes, one alkyne and one biogenic diene. The inversion relies on a validated fast adjoint of the chemical transport model used to simulate the fate and transport of these VOCs. The assimilated ground-based measurements over Europe are provided by the European Monitoring and Evaluation Programme (EMEP network. The background emission errors and the prior observational errors are estimated by maximum-likelihood approaches. The positivity assumption on the VOC emission fluxes is pivotal for a successful inversion, and this maximum-likelihood approach consistently accounts for the positivity of the fluxes. For most species, the retrieved emissions lead to a significant reduction of the bias, which underlines the misfit between the standard inventories and the observed concentrations. The results are validated through a forecast test and a cross-validation test. An estimation of the posterior uncertainty is also provided. It is shown that the statistically consistent non-Gaussian approach based on a reliable estimation of the errors offers the best performance. The efficiency in correcting the inventory depends on the lifetime of the VOCs and the accuracy of the boundary conditions. In particular, it is shown that the use of in situ observations using a sparse monitoring network to estimate emissions of isoprene is inadequate because its short chemical lifetime significantly limits the spatial radius of influence of the monitoring data. For species with a longer lifetime (a few days, successful, albeit partial, emission corrections can reach regions hundreds of kilometres away from the stations. Domain-wide corrections of the

  14. Study of new technique of solid combustible materials to determination of volatile elements by flame atomic absorption spectrophotometry

    International Nuclear Information System (INIS)

    Campos, R.C. de.

    1988-01-01

    A new technique for direct trace element analysis of solid combustible materials is described. The samples (up to 10 mg) are weighed on a graphite platform wich is then placed in a quartz tube, at the focal point of three infrared lamps. When the lamps are turned on, the sample burns in a stream of air, and the resulting dry aerosol containing volatile elements such as Hg, Cd, Bi, Tl, Zn, Pb and Cu is carried into the mixing chamber and thence into the flame, where the atomic absorption measurement is carried out. This technique overcomes chemical sample preparation steps, avoiding contaminations of losses associated with these steps. A ''furnace in flame'' system where the aerosol is transported to a flame heated T-tube is also described. The influence of flame stoichiometry, observation height, platform material and air flux intensity was studied inorder to determine optimal analytical conditions. (author) [pt

  15. An overview of plant volatile metabolomics, sample treatment and reporting considerations with emphasis on mechanical damage and biological control of weeds.

    Science.gov (United States)

    Beck, John J; Smith, Lincoln; Baig, Nausheena

    2014-01-01

    The technology for the collection and analysis of plant-emitted volatiles for understanding chemical cues of plant-plant, plant-insect or plant-microbe interactions has increased over the years. Consequently, the in situ collection, analysis and identification of volatiles are considered integral to elucidation of complex plant communications. Due to the complexity and range of emissions the conditions for consistent emission of volatiles are difficult to standardise. To discuss: evaluation of emitted volatile metabolites as a means of screening potential target- and non-target weeds/plants for insect biological control agents; plant volatile metabolomics to analyse resultant data; importance of considering volatiles from damaged plants; and use of a database for reporting experimental conditions and results. Recent literature relating to plant volatiles and plant volatile metabolomics are summarised to provide a basic understanding of how metabolomics can be applied to the study of plant volatiles. An overview of plant secondary metabolites, plant volatile metabolomics, analysis of plant volatile metabolomics data and the subsequent input into a database, the roles of plant volatiles, volatile emission as a function of treatment, and the application of plant volatile metabolomics to biological control of invasive weeds. It is recommended that in addition to a non-damaged treatment, plants be damaged prior to collecting volatiles to provide the greatest diversity of odours. For the model system provided, optimal volatile emission occurred when the leaf was punctured with a needle. Results stored in a database should include basic environmental conditions or treatments. Copyright © 2013 John Wiley & Sons, Ltd.

  16. Impact of microorganism on polonium volatilization

    International Nuclear Information System (INIS)

    Momoshima, N.; Ishida, A.; Fukuda, A.; Yoshinaga, C.

    2007-01-01

    Volatilization of polonium by microorganisms, Chromobacterium violaceum, Escherichia coli and Bacillus subtilis was examined for pure cultures in LB medium at 30 deg C, showing relative Po emission intensity 100, 10 and 1, respectively. Chromobacterium violaceum pre-cultured in LB medium without Po and suspended in water with Po showed high Po volatilization in spite of poor nutriment condition. Antibiotics inhibit volatilization of Po and cultivation at low temperature greatly reduced volatilization. The results strongly support the biological effects on Po volatilization. (author)

  17. Selenium Uptake and Volatilization by Marine Algae

    Science.gov (United States)

    Luxem, Katja E.; Vriens, Bas; Wagner, Bettina; Behra, Renata; Winkel, Lenny H. E.

    2015-04-01

    Selenium (Se) is an essential trace nutrient for humans. An estimated one half to one billion people worldwide suffer from Se deficiency, which is due to low concentrations and bioavailability of Se in soils where crops are grown. It has been hypothesized that more than half of the atmospheric Se deposition to soils is derived from the marine system, where microorganisms methylate and volatilize Se. Based on model results from the late 1980s, the atmospheric flux of these biogenic volatile Se compounds is around 9 Gt/year, with two thirds coming from the marine biosphere. Algae, fungi, and bacteria are known to methylate Se. Although algal Se uptake, metabolism, and methylation influence the speciation and bioavailability of Se in the oceans, these processes have not been quantified under environmentally relevant conditions and are likely to differ among organisms. Therefore, we are investigating the uptake and methylation of the two main inorganic Se species (selenate and selenite) by three globally relevant microalgae: Phaeocystis globosa, the coccolithophorid Emiliania huxleyi, and the diatom Thalassiosira oceanica. Selenium uptake and methylation were quantified in a batch experiment, where parallel gas-tight microcosms in a climate chamber were coupled to a gas-trapping system. For E. huxleyi, selenite uptake was strongly dependent on aqueous phosphate concentrations, which agrees with prior evidence that selenite uptake by phosphate transporters is a significant Se source for marine algae. Selenate uptake was much lower than selenite uptake. The most important volatile Se compounds produced were dimethyl selenide, dimethyl diselenide, and dimethyl selenyl sulfide. Production rates of volatile Se species were larger with increasing intracellular Se concentration and in the decline phase of the alga. Similar experiments are being carried out with P. globosa and T. oceanica. Our results indicate that marine algae are important for the global cycling of Se

  18. The war in Kosovo: Evidence of pollution transport in the Balkans during operation "Allied Force".

    Science.gov (United States)

    Melas, D; Zerefos, C; Rapsomanikis, S; Tsangas, N; Alexandropoulou, A

    2000-01-01

    During the operation "Allied Force" in the spring of 1999, the burning or damaging of industrial and military targets in the Former Republic of Yugoslavia resulted in the release of a large number of chemicals into the atmosphere. The releases contained not only conventional air pollutants, but also Semi-Volatile Organic compounds (SVOs) which are known to be hazardous to health. Under suitable meteorological conditions, these chemicals can be transported across borders over large distances. In this paper, an analysis of measurements and dispersion calculations is presented which provides evidence of pollutant transport from the conflict area to Greece. The measuring program was carried out in Xanthi, Greece and included aerosol sampling and subsequent analysis for the determination of the concentration of SVOs including dioxins, furans, PCBs (PolyChlorinated Biphenyls), PAHs (Polycyclic Aromatic Hydrocarbons) and organic phthalates. This paper focuses on two episodes of organic phthalates that were observed during the conflict period. Pollution measurements are interpreted by means of air trajectories and dispersion calculations. For this purpose, the HYSPLIT_4 (HYbrid Single-Particle Langrangian Integrated Trajectory) modeling system is used to calculate the dispersion of toxic substances.

  19. New volatile constituents from leaves of Stemodia trifoliata (Link.) Reichb. (Schrophulariaceae)

    International Nuclear Information System (INIS)

    Silva, Wildson Max B. da; Assuncao, Joao Carlos da C.; Araujo, Renata M.; Silveira, Edilberto R.; Pessoa, Otilia D.L.

    2009-01-01

    The leaf essential oils of Stemodia trifoliata (Scrophulariaceae), collected at the same month of two different years (August 2005 and 2006), were analyzed by GC-MS and GC-FID. A total of 22 volatile components represented by sesquiterpenes and diterpenes was identified. β-Caryophyllene (9.4-15.4%) and caryophyllene oxide (6.2-9.0%) were the major compounds identified in the sesquiterpene fraction, while the diterpenoids 6α-acetoxymanoyl oxide (13.9-23.2%) and 6α-hydroxymanoyl oxide (25.1-29.7%) were the main constituents of the diterpene fraction. The two novel manoyl oxide derivatives had their structures established by means of spectroscopic methods, particularly 1D and 2D NMR. This work describes for the first time the chemical investigation on the volatile composition of S. trifoliata. (author)

  20. New volatile constituents from leaves of Stemodia trifoliata (Link.) Reichb. (Schrophulariaceae)

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Wildson Max B. da; Assuncao, Joao Carlos da C.; Araujo, Renata M.; Silveira, Edilberto R.; Pessoa, Otilia D.L. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Organica e Inorganica]. E-mail: opessoa@ufc.br

    2009-07-01

    The leaf essential oils of Stemodia trifoliata (Scrophulariaceae), collected at the same month of two different years (August 2005 and 2006), were analyzed by GC-MS and GC-FID. A total of 22 volatile components represented by sesquiterpenes and diterpenes was identified. {beta}-Caryophyllene (9.4-15.4%) and caryophyllene oxide (6.2-9.0%) were the major compounds identified in the sesquiterpene fraction, while the diterpenoids 6{alpha}-acetoxymanoyl oxide (13.9-23.2%) and 6{alpha}-hydroxymanoyl oxide (25.1-29.7%) were the main constituents of the diterpene fraction. The two novel manoyl oxide derivatives had their structures established by means of spectroscopic methods, particularly 1D and 2D NMR. This work describes for the first time the chemical investigation on the volatile composition of S. trifoliata. (author)